NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
473250 | 2k2a | 15698 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 59} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 2.500 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.32178E-02 ppm1 8.074 ppm2 7.265 CV 1 ASSI { 61} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.26441E-02 ppm1 8.074 ppm2 3.636 CV 1 ASSI { 62} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 2.800 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 8.074 ppm2 2.244 CV 1 OR { 62} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 64} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.86265E-02 ppm1 8.074 ppm2 1.884 CV 1 ASSI { 65} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG12)) 2.900 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.64768E-02 ppm1 8.074 ppm2 1.505 CV 1 ASSI { 66} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HG2%) 3.800 1.800 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 8.074 ppm2 0.815 CV 1 ASSI { 67} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG13)) 2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.23235E-02 ppm1 8.074 ppm2 0.660 CV 1 ASSI { 68} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD1%) 4.500 2.500 1.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.80023E-03 ppm1 8.074 ppm2 0.407 CV 1 ASSI { 69} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.47628E-02 ppm1 7.675 ppm2 8.038 CV 1 ASSI { 70} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 2.600 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.35191E-02 ppm1 7.675 ppm2 8.342 CV 1 ASSI { 72} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.49074E-02 ppm1 7.675 ppm2 2.836 CV 1 ASSI { 73} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.22247E-02 ppm1 7.675 ppm2 2.738 CV 1 ASSI { 74} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HB% ) 2.100 0.500 0.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.15725E-01 ppm1 7.675 ppm2 1.549 CV 1 ASSI { 75} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 2.400 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.46808E-02 ppm1 8.177 ppm2 7.502 CV 1 ASSI { 77} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.34154E-02 ppm1 8.177 ppm2 4.499 CV 1 ASSI { 78} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.45989E-02 ppm1 8.177 ppm2 4.390 CV 1 ASSI { 80} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.300 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.78574E-03 ppm1 8.177 ppm2 4.110 CV 1 ASSI { 81} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.400 1.400 1.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.83638E-03 ppm1 8.177 ppm2 3.799 CV 1 ASSI { 82} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 2.600 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.31310E-02 ppm1 8.177 ppm2 2.725 CV 1 ASSI { 83} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB3 )) 2.500 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.65728E-02 ppm1 8.177 ppm2 2.616 CV 1 ASSI { 84} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA2 )) 2.900 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 8.290 ppm2 4.001 CV 1 OR { 84} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA1 )) ASSI { 85} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 8.410 ppm2 4.094 CV 1 ASSI { 88} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.70769E-02 ppm1 8.410 ppm2 2.073 CV 1 ASSI { 89} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG )) 2.300 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.57968E-02 ppm1 8.410 ppm2 1.864 CV 1 ASSI { 91} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD1%) 3.300 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 8.410 ppm2 0.857 CV 1 OR { 91} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD2%) ASSI { 98} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.74143E-02 ppm1 8.468 ppm2 4.132 CV 1 ASSI { 99} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 2.600 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.43747E-02 ppm1 8.468 ppm2 3.933 CV 1 ASSI { 100} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HG3 )) 3.400 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 8.468 ppm2 2.406 CV 1 ASSI { 101} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HG2 )) 3.500 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 8.468 ppm2 2.337 CV 1 ASSI { 102} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.900 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 8.468 ppm2 2.170 CV 1 ASSI { 103} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB3 )) 2.300 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12722E-01 ppm1 8.468 ppm2 2.009 CV 1 ASSI { 104} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 2.500 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.44205E-02 ppm1 8.468 ppm2 7.978 CV 1 ASSI { 110} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG2 )) 3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.27743E-02 ppm1 8.039 ppm2 2.825 CV 1 ASSI { 111} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.400 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.42711E-02 ppm1 8.039 ppm2 2.218 CV 1 ASSI { 112} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.700 1.800 1.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.13281E-02 ppm1 8.039 ppm2 2.042 CV 1 OR { 112} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HE% ) ASSI { 113} (( segid " " and resid 132 and name HN )) ( segid " " and resid 131 and name HB% ) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.27887E-02 ppm1 8.039 ppm2 1.552 CV 1 ASSI { 115} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.300 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.91737E-02 ppm1 8.010 ppm2 2.130 CV 1 OR { 115} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) ASSI { 116} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 8.010 ppm2 1.962 CV 1 OR { 116} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) ASSI { 119} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB3 )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 7.578 ppm2 1.931 CV 1 OR { 119} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 124} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HN )) 2.900 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17402E-02 ppm1 7.271 ppm2 8.187 CV 1 ASSI { 125} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.900 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.19909E-02 ppm1 7.271 ppm2 4.026 CV 1 ASSI { 127} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG2 )) 3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.15860E-02 ppm1 7.271 ppm2 2.476 CV 1 OR { 127} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG3 )) ASSI { 128} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.44013E-02 ppm1 7.271 ppm2 2.240 CV 1 OR { 128} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 130} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 3.300 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.23959E-02 ppm1 7.271 ppm2 1.951 CV 1 OR { 130} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG3 )) ASSI { 136} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.700 1.700 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 7.796 ppm2 1.606 CV 1 ASSI { 138} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 7.371 ppm2 7.982 CV 1 ASSI { 141} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 2.400 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.59727E-02 ppm1 7.553 ppm2 7.771 CV 1 ASSI { 147} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.900 1.900 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.371 ppm2 2.759 CV 1 ASSI { 149} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.50038E-02 ppm1 7.371 ppm2 2.138 CV 1 OR { 149} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) ASSI { 150} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.800 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.14389E-02 ppm1 7.523 ppm2 3.027 CV 1 ASSI { 151} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 3.400 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 7.523 ppm2 2.552 CV 1 ASSI { 153} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.700 1.700 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.93760E-03 ppm1 7.523 ppm2 1.379 CV 1 ASSI { 154} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB3 )) 2.100 0.600 0.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.12548E-01 ppm1 7.553 ppm2 2.155 CV 1 OR { 154} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 155} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HB% ) 2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 7.553 ppm2 1.456 CV 1 ASSI { 157} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.35576E-02 ppm1 7.840 ppm2 8.427 CV 1 ASSI { 158} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 3.100 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.15330E-02 ppm1 7.840 ppm2 4.138 CV 1 ASSI { 159} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.43048E-02 ppm1 7.840 ppm2 3.959 CV 1 ASSI { 160} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.300 1.400 1.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.29358E-02 ppm1 7.840 ppm2 2.987 CV 1 ASSI { 161} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.12779E-01 ppm1 7.840 ppm2 1.941 CV 1 OR { 161} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB3 )) ASSI { 162} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG2 )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.32708E-02 ppm1 7.840 ppm2 1.845 CV 1 ASSI { 163} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG3 )) 3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.19788E-02 ppm1 7.840 ppm2 1.694 CV 1 ASSI { 165} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25116E-02 ppm1 8.640 ppm2 4.221 CV 1 ASSI { 166} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 3.500 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10123E-02 ppm1 8.640 ppm2 4.029 CV 1 ASSI { 167} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG3 )) 2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.36492E-02 ppm1 8.640 ppm2 2.301 CV 1 OR { 167} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG2 )) ASSI { 168} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.500 1.600 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.17017E-02 ppm1 8.640 ppm2 2.130 CV 1 ASSI { 169} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.400 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.55799E-02 ppm1 8.640 ppm2 1.928 CV 1 ASSI { 170} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.27791E-02 ppm1 8.640 ppm2 1.845 CV 1 OR { 170} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB3 )) ASSI { 171} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 3.300 1.300 1.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.88702E-03 ppm1 8.970 ppm2 8.467 CV 1 ASSI { 173} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.600 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.36348E-02 ppm1 8.970 ppm2 4.598 CV 1 ASSI { 174} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.18391E-02 ppm1 8.970 ppm2 4.393 CV 1 ASSI { 176} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 8.970 ppm2 3.925 CV 1 ASSI { 177} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.32419E-02 ppm1 7.504 ppm2 7.973 CV 1 ASSI { 179} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.900 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.21452E-02 ppm1 7.504 ppm2 3.763 CV 1 ASSI { 181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB3 )) 3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14221E-02 ppm1 7.504 ppm2 2.618 CV 1 ASSI { 182} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB )) 2.300 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.63296E-02 ppm1 7.504 ppm2 2.117 CV 1 ASSI { 183} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG2%) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.46881E-02 ppm1 7.504 ppm2 1.056 CV 1 ASSI { 184} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG1%) 4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.74476E-03 ppm1 7.504 ppm2 0.730 CV 1 ASSI { 187} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 3.700 1.700 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.60014E-03 ppm1 7.104 ppm2 4.357 CV 1 OR { 187} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB )) ASSI { 188} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 2.900 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.23235E-02 ppm1 7.104 ppm2 1.836 CV 1 ASSI { 189} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.31551E-02 ppm1 7.104 ppm2 1.663 CV 1 ASSI { 192} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HD1%) 4.400 2.400 1.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.52304E-03 ppm1 7.104 ppm2 0.824 CV 1 ASSI { 193} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 3.300 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.89421E-03 ppm1 7.858 ppm2 8.643 CV 1 ASSI { 194} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 7.858 ppm2 4.782 CV 1 ASSI { 196} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.33865E-02 ppm1 7.858 ppm2 1.845 CV 1 OR { 196} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB3 )) ASSI { 197} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG3 )) 3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.17981E-02 ppm1 7.858 ppm2 1.485 CV 1 OR { 197} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG2 )) ASSI { 198} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 2.300 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.57076E-02 ppm1 7.981 ppm2 8.280 CV 1 ASSI { 200} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.42566E-02 ppm1 8.052 ppm2 8.427 CV 1 ASSI { 202} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.600 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.42638E-02 ppm1 7.981 ppm2 4.420 CV 1 ASSI { 204} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.400 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.58934E-02 ppm1 8.052 ppm2 4.198 CV 1 ASSI { 205} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.300 0.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.60014E-02 ppm1 7.981 ppm2 2.990 CV 1 ASSI { 206} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.500 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.24489E-02 ppm1 7.981 ppm2 2.645 CV 1 ASSI { 208} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 2.500 0.800 0.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.56136E-02 ppm1 8.052 ppm2 2.123 CV 1 OR { 208} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) ASSI { 209} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HB% ) 2.100 0.500 0.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.14872E-01 ppm1 8.052 ppm2 1.672 CV 1 ASSI { 211} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 2.000 0.500 0.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.14987E-01 ppm1 8.884 ppm2 4.753 CV 1 ASSI { 212} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 8.884 ppm2 4.470 CV 1 ASSI { 214} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB3 )) 2.500 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.49074E-02 ppm1 8.884 ppm2 2.184 CV 1 OR { 214} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) ASSI { 216} (( segid " " and resid 138 and name HN )) (( segid " " and resid 143 and name HN )) 2.500 2.500 3.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.77155E-02 ppm1 7.846 ppm2 7.980 CV 1 ASSI { 225} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 3.800 1.800 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.80264E-03 ppm1 8.870 ppm2 2.040 CV 1 ASSI { 228} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 7.889 ppm2 8.435 CV 1 ASSI { 232} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA1 )) 2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.35480E-02 ppm1 7.891 ppm2 3.775 CV 1 ASSI { 233} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.200 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 7.891 ppm2 1.740 CV 1 OR { 233} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) ASSI { 235} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 3.000 1.100 1.100 peak 235 spectrum 1 weight 0.10000E+01 volume 0.18680E-02 ppm1 7.824 ppm2 8.633 CV 1 ASSI { 237} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 3.500 1.600 1.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.66768E-03 ppm1 7.824 ppm2 4.223 CV 1 ASSI { 239} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA1 )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.41674E-02 ppm1 7.827 ppm2 3.733 CV 1 ASSI { 245} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.20512E-02 ppm1 7.961 ppm2 4.409 CV 1 ASSI { 248} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.500 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.68935E-03 ppm1 7.827 ppm2 1.938 CV 1 ASSI { 251} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.32419E-02 ppm1 8.608 ppm2 8.881 CV 1 ASSI { 252} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 2.400 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.52232E-02 ppm1 8.608 ppm2 7.093 CV 1 ASSI { 253} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 8.608 ppm2 4.466 CV 1 ASSI { 254} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.600 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.47025E-02 ppm1 8.608 ppm2 4.348 CV 1 OR { 254} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB )) ASSI { 255} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HG2%) 2.300 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.84023E-02 ppm1 8.608 ppm2 1.257 CV 1 ASSI { 256} (( segid " " and resid 140 and name HN )) (( segid " " and resid 143 and name HA )) 4.100 2.100 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.57606E-03 ppm1 7.897 ppm2 5.050 CV 1 ASSI { 259} (( segid " " and resid 140 and name HN )) ( segid " " and resid 110 and name HG2%) 4.000 2.000 2.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.47001E-03 ppm1 7.897 ppm2 1.104 CV 1 ASSI { 261} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.24248E-02 ppm1 8.354 ppm2 8.183 CV 1 ASSI { 262} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.200 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.72597E-02 ppm1 8.354 ppm2 5.045 CV 1 ASSI { 263} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HA )) 2.600 2.600 3.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.17354E-02 ppm1 8.354 ppm2 4.780 CV 1 ASSI { 264} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.28755E-02 ppm1 8.354 ppm2 4.502 CV 1 ASSI { 265} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB )) 3.700 1.700 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.95692E-03 ppm1 8.354 ppm2 4.249 CV 1 ASSI { 266} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.600 1.600 1.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.89421E-03 ppm1 8.354 ppm2 4.104 CV 1 ASSI { 267} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.26851E-02 ppm1 8.354 ppm2 3.802 CV 1 ASSI { 268} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HG2%) 2.300 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.53244E-02 ppm1 8.354 ppm2 1.100 CV 1 ASSI { 269} (( segid " " and resid 110 and name HN )) ( segid " " and resid 144 and name HG2%) 3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.76649E-03 ppm1 8.354 ppm2 0.813 CV 1 ASSI { 275} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG2%) 3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.59054E-03 ppm1 8.866 ppm2 0.457 CV 1 ASSI { 284} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.28538E-02 ppm1 8.353 ppm2 2.741 CV 1 ASSI { 286} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.200 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13088E-02 ppm1 8.347 ppm2 3.750 CV 1 ASSI { 288} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG3 )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 8.347 ppm2 2.327 CV 1 OR { 288} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG2 )) ASSI { 289} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 2.900 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.34009E-02 ppm1 8.347 ppm2 2.095 CV 1 ASSI { 290} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 2.900 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 7.920 ppm2 7.557 CV 1 ASSI { 292} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.27671E-02 ppm1 7.774 ppm2 4.193 CV 1 ASSI { 294} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 2.500 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 7.920 ppm2 8.181 CV 1 ASSI { 295} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HA )) 3.500 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.68694E-03 ppm1 7.774 ppm2 3.911 CV 1 ASSI { 296} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.29333E-02 ppm1 7.774 ppm2 2.155 CV 1 OR { 296} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB3 )) ASSI { 297} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.71924E-02 ppm1 7.774 ppm2 1.826 CV 1 ASSI { 298} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 7.774 ppm2 1.610 CV 1 ASSI { 299} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD1%) 3.500 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 7.774 ppm2 0.859 CV 1 OR { 299} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD2%) ASSI { 300} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.800 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.23669E-02 ppm1 7.920 ppm2 1.882 CV 1 OR { 300} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HG )) ASSI { 301} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HB% ) 2.400 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.64377E-02 ppm1 7.920 ppm2 1.450 CV 1 ASSI { 302} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.800 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.73758E-03 ppm1 7.920 ppm2 1.272 CV 1 ASSI { 303} (( segid " " and resid 118 and name HN )) ( segid " " and resid 129 and name HD1%) 3.400 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10123E-02 ppm1 7.920 ppm2 0.906 CV 1 OR { 303} (( segid " " and resid 118 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.99549E-03 ppm1 7.984 ppm2 4.080 CV 1 ASSI { 307} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 7.984 ppm2 2.277 CV 1 ASSI { 308} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.20054E-02 ppm1 7.984 ppm2 2.110 CV 1 ASSI { 309} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 2.600 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 7.984 ppm2 1.815 CV 1 ASSI { 316} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.500 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.75683E-03 ppm1 8.432 ppm2 4.202 CV 1 ASSI { 318} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 8.432 ppm2 3.804 CV 1 ASSI { 319} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.36878E-02 ppm1 8.432 ppm2 3.003 CV 1 ASSI { 320} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 2.400 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.50376E-02 ppm1 8.432 ppm2 2.920 CV 1 ASSI { 337} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.16414E-02 ppm1 8.345 ppm2 4.046 CV 1 ASSI { 338} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.40686E-02 ppm1 8.345 ppm2 1.980 CV 1 OR { 338} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB3 )) ASSI { 340} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB3 )) 3.400 1.500 1.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14318E-02 ppm1 8.353 ppm2 1.355 CV 1 ASSI { 341} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG13)) 4.100 2.100 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 8.322 ppm2 1.422 CV 1 ASSI { 342} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HG2%) 4.300 2.300 1.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.79781E-03 ppm1 8.322 ppm2 0.945 CV 1 ASSI { 345} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 3.700 1.700 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.50135E-03 ppm1 7.771 ppm2 4.378 CV 1 ASSI { 348} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10268E-02 ppm1 7.771 ppm2 1.708 CV 1 ASSI { 352} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 2.500 0.800 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.31214E-02 ppm1 8.192 ppm2 8.068 CV 1 ASSI { 357} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.900 1.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.19114E-02 ppm1 8.192 ppm2 3.913 CV 1 ASSI { 358} (( segid " " and resid 117 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.200 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 8.192 ppm2 2.475 CV 1 ASSI { 365} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HA )) 4.400 2.400 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.59537E-03 ppm1 8.517 ppm2 5.081 CV 1 ASSI { 366} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.500 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 8.517 ppm2 2.862 CV 1 ASSI { 367} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.500 1.500 1.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 8.517 ppm2 2.148 CV 1 OR { 367} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 368} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB )) 3.400 1.400 1.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.71826E-03 ppm1 8.517 ppm2 1.800 CV 1 OR { 368} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HG13)) ASSI { 385} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 2.400 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.49628E-02 ppm1 7.945 ppm2 7.520 CV 1 ASSI { 386} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.32949E-02 ppm1 8.286 ppm2 4.019 CV 1 ASSI { 387} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.300 1.400 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 7.945 ppm2 4.368 CV 1 ASSI { 389} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.400 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.36348E-02 ppm1 8.286 ppm2 2.988 CV 1 ASSI { 390} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.700 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 8.286 ppm2 2.635 CV 1 ASSI { 391} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.200 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.75804E-02 ppm1 8.286 ppm2 2.013 CV 1 ASSI { 392} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG )) 2.100 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.75804E-02 ppm1 8.286 ppm2 1.660 CV 1 ASSI { 393} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB3 )) 3.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.34829E-02 ppm1 8.286 ppm2 1.359 CV 1 ASSI { 394} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD1%) 3.300 1.400 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 8.286 ppm2 0.892 CV 1 OR { 394} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 395} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.400 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.78333E-03 ppm1 7.945 ppm2 3.019 CV 1 ASSI { 397} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.800 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.29044E-02 ppm1 7.945 ppm2 1.940 CV 1 ASSI { 403} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 3.900 1.900 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.38083E-03 ppm1 8.442 ppm2 2.348 CV 1 ASSI { 180} (( segid " " and resid 143 and name HB )) (( segid " " and resid 143 and name HA )) 2.600 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.30089E-02 ppm1 3.851 ppm2 5.080 CV 1 ASSI { 181} (( segid " " and resid 143 and name HB )) ( segid " " and resid 143 and name HG2%) 2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.48447E-02 ppm1 3.851 ppm2 0.813 CV 1 ASSI { 187} (( segid " " and resid 110 and name HB )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.48508E-02 ppm1 4.243 ppm2 3.812 CV 1 ASSI { 188} (( segid " " and resid 110 and name HB )) ( segid " " and resid 110 and name HG2%) 2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.67067E-02 ppm1 4.243 ppm2 1.103 CV 1 ASSI { 191} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 125 and name HA )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.31952E-02 ppm1 4.107 ppm2 4.603 CV 1 ASSI { 192} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 4.392 ppm2 4.603 CV 1 ASSI { 195} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 125 and name HB2 )) 1.900 0.400 0.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11631E-01 ppm1 4.107 ppm2 4.405 CV 1 ASSI { 198} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB )) 2.900 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 3.741 ppm2 2.107 CV 1 ASSI { 205} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB )) 3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.14803E-02 ppm1 3.617 ppm2 1.882 CV 1 ASSI { 206} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HG12)) 2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.23081E-02 ppm1 3.617 ppm2 1.508 CV 1 ASSI { 207} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HG2%) 2.700 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.29445E-02 ppm1 3.617 ppm2 0.815 CV 1 ASSI { 208} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HG13)) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.30613E-02 ppm1 3.617 ppm2 0.662 CV 1 ASSI { 209} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HD1%) 4.700 2.800 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.56091E-03 ppm1 3.617 ppm2 0.398 CV 1 ASSI { 212} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) 2.200 0.600 0.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.95416E-02 ppm1 3.922 ppm2 4.089 CV 1 OR { 212} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) ASSI { 217} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB )) 3.000 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 3.716 ppm2 2.206 CV 1 ASSI { 221} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB )) 2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.50804E-02 ppm1 4.402 ppm2 4.323 CV 1 ASSI { 226} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.39465E-02 ppm1 4.366 ppm2 3.035 CV 1 ASSI { 227} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.800 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 4.366 ppm2 2.558 CV 1 ASSI { 230} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG2 )) 2.700 0.900 0.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.39525E-02 ppm1 4.122 ppm2 2.361 CV 1 OR { 230} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG3 )) ASSI { 233} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HG2 )) 3.400 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.98485E-03 ppm1 4.010 ppm2 2.480 CV 1 OR { 233} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HG3 )) ASSI { 234} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.700 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.32678E-02 ppm1 4.010 ppm2 2.257 CV 1 OR { 234} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) ASSI { 236} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG2 )) 2.900 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 4.149 ppm2 2.830 CV 1 ASSI { 237} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.100 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.26444E-02 ppm1 4.149 ppm2 2.506 CV 1 ASSI { 238} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB2 )) 3.100 1.200 1.200 peak 238 spectrum 1 weight 0.10000E+01 volume 0.25075E-02 ppm1 4.149 ppm2 2.203 CV 1 ASSI { 239} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB3 )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.37008E-02 ppm1 4.149 ppm2 2.033 CV 1 ASSI { 241} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HD3 )) 4.200 2.200 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.59618E-03 ppm1 3.946 ppm2 3.204 CV 1 OR { 241} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HD2 )) ASSI { 242} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.46101E-02 ppm1 3.946 ppm2 1.924 CV 1 OR { 242} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) ASSI { 243} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG3 )) 3.400 1.400 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 3.946 ppm2 1.699 CV 1 ASSI { 247} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 4.250 ppm2 2.067 CV 1 ASSI { 248} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HG )) 3.200 1.300 1.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.13041E-02 ppm1 4.250 ppm2 1.862 CV 1 ASSI { 249} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) 2.400 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.47702E-02 ppm1 4.250 ppm2 1.647 CV 1 ASSI { 250} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HD1%) 3.200 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.53553E-02 ppm1 4.250 ppm2 0.838 CV 1 ASSI { 252} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB3 )) 2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.55175E-02 ppm1 4.459 ppm2 2.183 CV 1 ASSI { 253} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) 2.500 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.46846E-02 ppm1 4.459 ppm2 2.145 CV 1 ASSI { 255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.26484E-02 ppm1 4.223 ppm2 2.832 CV 1 ASSI { 256} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB3 )) 2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 4.223 ppm2 2.741 CV 1 ASSI { 259} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) 3.000 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.25437E-02 ppm1 3.954 ppm2 1.630 CV 1 ASSI { 260} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HG )) 3.400 1.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 3.954 ppm2 1.495 CV 1 ASSI { 261} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB3 )) 2.600 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 3.954 ppm2 1.367 CV 1 ASSI { 265} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 3.857 ppm2 1.952 CV 1 ASSI { 270} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.700 0.400 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.18257E-01 ppm1 1.717 ppm2 1.789 CV 1 ASSI { 271} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HG2 )) 3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 1.718 ppm2 1.947 CV 1 ASSI { 273} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.10775E-02 ppm1 1.718 ppm2 3.857 CV 1 ASSI { 277} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 1.781 ppm2 3.856 CV 1 ASSI { 282} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 1.700 0.400 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14320E-01 ppm1 1.598 ppm2 1.826 CV 1 ASSI { 285} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.18247E-02 ppm1 1.799 ppm2 4.193 CV 1 ASSI { 287} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 120 and name HD1%) 2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.42385E-02 ppm1 1.595 ppm2 0.865 CV 1 ASSI { 290} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.500 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.43130E-02 ppm1 4.185 ppm2 1.612 CV 1 ASSI { 291} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD1%) 2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.64400E-02 ppm1 4.185 ppm2 0.872 CV 1 OR { 291} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD2%) ASSI { 293} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.21359E-02 ppm1 5.469 ppm2 3.064 CV 1 ASSI { 294} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB3 )) 2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 5.469 ppm2 2.861 CV 1 ASSI { 299} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HB2 )) 1.800 0.400 0.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11359E-01 ppm1 2.854 ppm2 3.061 CV 1 ASSI { 302} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HB% ) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.74942E-02 ppm1 4.195 ppm2 1.678 CV 1 ASSI { 306} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB3 )) 2.700 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 4.457 ppm2 1.369 CV 1 ASSI { 315} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name HB2 )) 1.900 0.400 0.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.91760E-02 ppm1 1.363 ppm2 1.848 CV 1 ASSI { 320} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16696E-02 ppm1 1.825 ppm2 4.475 CV 1 ASSI { 321} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name HG )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.44449E-02 ppm1 1.363 ppm2 1.661 CV 1 ASSI { 322} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HG )) 2.400 0.700 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.50562E-02 ppm1 1.825 ppm2 1.666 CV 1 ASSI { 323} (( segid " " and resid 124 and name HB3 )) ( segid " " and resid 124 and name HD2%) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.35064E-02 ppm1 1.363 ppm2 0.950 CV 1 ASSI { 332} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HB% ) 2.300 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.91185E-02 ppm1 4.194 ppm2 1.548 CV 1 ASSI { 334} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HB% ) 2.300 0.600 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.90731E-02 ppm1 4.130 ppm2 1.454 CV 1 ASSI { 341} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13846E-02 ppm1 5.080 ppm2 3.023 CV 1 ASSI { 342} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB3 )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 5.080 ppm2 2.849 CV 1 ASSI { 348} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HB2 )) 1.800 0.400 0.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11621E-01 ppm1 1.630 ppm2 2.066 CV 1 ASSI { 354} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HD2%) 2.400 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.55819E-02 ppm1 4.250 ppm2 0.867 CV 1 ASSI { 355} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD2%) 2.600 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.37410E-02 ppm1 1.630 ppm2 0.867 CV 1 ASSI { 356} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 93 and name HD2%) 3.400 1.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.23564E-02 ppm1 2.050 ppm2 0.877 CV 1 ASSI { 358} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD1%) 2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.48226E-02 ppm1 1.630 ppm2 0.840 CV 1 ASSI { 361} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 145 and name HB2 )) 1.800 0.400 0.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.14642E-01 ppm1 2.831 ppm2 3.011 CV 1 ASSI { 367} (( segid " " and resid 157 and name HB3 )) (( segid " " and resid 157 and name HB2 )) 1.600 0.300 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.40321E-01 ppm1 2.578 ppm2 2.741 CV 1 ASSI { 369} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HA )) 3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.67268E-03 ppm1 2.732 ppm2 4.671 CV 1 ASSI { 370} (( segid " " and resid 157 and name HB3 )) (( segid " " and resid 157 and name HA )) 3.700 1.800 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.49041E-03 ppm1 2.578 ppm2 4.671 CV 1 ASSI { 374} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HB3 )) 1.800 0.400 0.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.12376E-01 ppm1 1.625 ppm2 1.366 CV 1 ASSI { 375} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG )) 2.400 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.50884E-02 ppm1 1.625 ppm2 1.492 CV 1 ASSI { 376} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HG )) 2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.55496E-02 ppm1 1.366 ppm2 1.505 CV 1 ASSI { 385} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HB2 )) 1.800 0.400 0.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.13313E-01 ppm1 2.636 ppm2 2.999 CV 1 ASSI { 391} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 121 and name HB2 )) 1.800 0.400 0.400 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17442E-01 ppm1 2.386 ppm2 2.936 CV 1 ASSI { 397} (( segid " " and resid 130 and name HB3 )) (( segid " " and resid 130 and name HB2 )) 1.800 0.400 0.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.17119E-01 ppm1 2.730 ppm2 2.844 CV 1 ASSI { 402} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HB3 )) 2.000 0.500 0.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.95755E-02 ppm1 2.555 ppm2 1.941 CV 1 ASSI { 405} (( segid " " and resid 116 and name HB )) (( segid " " and resid 116 and name HG12)) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.21278E-02 ppm1 1.871 ppm2 1.501 CV 1 ASSI { 407} (( segid " " and resid 116 and name HB )) (( segid " " and resid 116 and name HG13)) 2.800 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 1.871 ppm2 0.670 CV 1 ASSI { 417} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HB2 )) 1.700 0.400 0.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.14441E-01 ppm1 2.033 ppm2 2.233 CV 1 ASSI { 419} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 2.200 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.57440E-02 ppm1 2.216 ppm2 2.500 CV 1 ASSI { 426} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.600 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.44963E-02 ppm1 1.836 ppm2 4.025 CV 1 OR { 426} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 427} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HE2 )) 4.400 2.400 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.42496E-03 ppm1 1.837 ppm2 3.053 CV 1 OR { 427} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HE2 )) OR { 427} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HE3 )) OR { 427} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HE3 )) ASSI { 430} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG2 )) 2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.54852E-02 ppm1 1.837 ppm2 1.488 CV 1 OR { 430} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HG3 )) OR { 430} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HG2 )) OR { 430} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG3 )) ASSI { 431} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HD2 )) 2.400 0.700 0.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.73217E-02 ppm1 1.837 ppm2 1.710 CV 1 OR { 431} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HD3 )) OR { 431} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HD3 )) OR { 431} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HD2 )) ASSI { 434} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HG3 )) 2.900 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.30613E-02 ppm1 4.030 ppm2 1.480 CV 1 OR { 434} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HG2 )) ASSI { 439} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG2%) 2.400 0.700 0.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.47873E-02 ppm1 2.093 ppm2 1.044 CV 1 ASSI { 440} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG1%) 2.500 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.44157E-02 ppm1 2.093 ppm2 0.728 CV 1 ASSI { 443} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG1%) 2.500 0.800 0.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.45880E-02 ppm1 2.032 ppm2 0.878 CV 1 ASSI { 445} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HG2 )) 2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.63193E-02 ppm1 2.005 ppm2 2.345 CV 1 OR { 445} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HG3 )) ASSI { 448} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.77942E-03 ppm1 2.128 ppm2 4.127 CV 1 OR { 448} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HA )) ASSI { 449} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 3.600 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.59618E-03 ppm1 2.128 ppm2 2.361 CV 1 OR { 449} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HG3 )) OR { 449} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HG2 )) OR { 449} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) ASSI { 450} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 3.743 ppm2 2.015 CV 1 ASSI { 459} ( segid " " and resid 133 and name HD1%) ( segid " " and resid 133 and name HG2%) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.54691E-02 ppm1 0.667 ppm2 0.954 CV 1 ASSI { 460} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HG13)) 2.600 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.33040E-02 ppm1 0.667 ppm2 1.421 CV 1 ASSI { 461} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HG12)) 2.600 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 0.667 ppm2 1.696 CV 1 ASSI { 462} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HB )) 3.600 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.18328E-02 ppm1 0.667 ppm2 2.206 CV 1 ASSI { 463} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HA )) 2.400 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.44621E-02 ppm1 0.667 ppm2 3.724 CV 1 ASSI { 465} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HG13)) 2.300 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.50562E-02 ppm1 0.407 ppm2 0.670 CV 1 ASSI { 467} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HG12)) 2.500 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.34984E-02 ppm1 0.407 ppm2 1.502 CV 1 ASSI { 468} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HB )) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.24743E-02 ppm1 0.407 ppm2 1.878 CV 1 ASSI { 472} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HG13)) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.34701E-02 ppm1 0.504 ppm2 1.038 CV 1 ASSI { 473} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HG12)) 2.600 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 0.504 ppm2 1.342 CV 1 ASSI { 474} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HB )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24279E-02 ppm1 0.504 ppm2 1.766 CV 1 ASSI { 476} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 136 and name HG12)) 2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.41247E-02 ppm1 0.827 ppm2 1.190 CV 1 ASSI { 477} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 136 and name HB )) 2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.39586E-02 ppm1 0.827 ppm2 1.806 CV 1 ASSI { 480} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23564E-02 ppm1 4.000 ppm2 1.811 CV 1 ASSI { 481} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG12)) 3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 4.000 ppm2 1.188 CV 1 ASSI { 482} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HD1%) 4.500 2.500 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 4.000 ppm2 0.831 CV 1 ASSI { 484} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HG2%) 2.800 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.29848E-02 ppm1 4.000 ppm2 0.941 CV 1 ASSI { 488} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 112 and name HA )) 2.700 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.28226E-02 ppm1 0.710 ppm2 3.749 CV 1 ASSI { 490} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 112 and name HG1%) 2.200 0.600 0.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.10614E-01 ppm1 1.032 ppm2 0.704 CV 1 ASSI { 492} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.56392E-02 ppm1 1.032 ppm2 3.762 CV 1 ASSI { 496} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 152 and name HA )) 3.000 1.100 1.100 peak 496 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 0.875 ppm2 3.949 CV 1 ASSI { 498} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.64480E-02 ppm1 0.995 ppm2 2.039 CV 1 ASSI { 499} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.36555E-02 ppm1 0.995 ppm2 3.949 CV 1 ASSI { 500} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 152 and name HG1%) 2.100 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17462E-01 ppm1 0.997 ppm2 0.898 CV 1 ASSI { 507} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HG2 )) 2.400 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.60681E-02 ppm1 1.686 ppm2 1.478 CV 1 OR { 507} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HG3 )) OR { 507} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HG3 )) OR { 507} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HG2 )) ASSI { 509} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE3 )) 2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21681E-02 ppm1 1.689 ppm2 3.079 CV 1 OR { 509} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE2 )) OR { 509} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE3 )) OR { 509} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE2 )) ASSI { 510} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HA )) 3.500 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.99393E-03 ppm1 1.686 ppm2 4.050 CV 1 OR { 510} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HA )) ASSI { 515} (( segid " " and resid 102 and name HE2 )) (( segid " " and resid 102 and name HG3 )) 3.400 1.400 1.400 peak 515 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 3.043 ppm2 1.471 CV 1 OR { 515} (( segid " " and resid 102 and name HE3 )) (( segid " " and resid 102 and name HG2 )) OR { 515} (( segid " " and resid 102 and name HE2 )) (( segid " " and resid 102 and name HG2 )) OR { 515} (( segid " " and resid 102 and name HE3 )) (( segid " " and resid 102 and name HG3 )) ASSI { 521} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HA )) 3.500 1.500 1.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 3.071 ppm2 4.061 CV 1 OR { 521} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HA )) ASSI { 523} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HA )) 4.400 2.500 1.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.59416E-03 ppm1 3.254 ppm2 3.760 CV 1 OR { 523} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HA )) ASSI { 524} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HG3 )) 2.500 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.35980E-02 ppm1 3.254 ppm2 1.949 CV 1 OR { 524} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HG2 )) OR { 524} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HG3 )) OR { 524} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HG2 )) ASSI { 525} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HB3 )) 2.600 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 3.254 ppm2 1.652 CV 1 OR { 525} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HB2 )) OR { 525} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HB3 )) OR { 525} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HB2 )) ASSI { 528} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG3 )) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.28952E-02 ppm1 3.741 ppm2 1.952 CV 1 OR { 528} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG2 )) ASSI { 529} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB3 )) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.24218E-02 ppm1 3.741 ppm2 1.649 CV 1 OR { 529} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) ASSI { 534} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HB2 )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 3.074 ppm2 1.982 CV 1 OR { 534} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HB2 )) ASSI { 536} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HB3 )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.21933E-02 ppm1 3.074 ppm2 1.934 CV 1 OR { 536} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HB3 )) ASSI { 540} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.600 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.39636E-02 ppm1 1.983 ppm2 4.060 CV 1 ASSI { 544} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB3 )) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.30734E-02 ppm1 4.039 ppm2 1.928 CV 1 ASSI { 546} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HD3 )) 3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.17290E-02 ppm1 1.928 ppm2 3.204 CV 1 OR { 546} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HD2 )) OR { 546} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HD2 )) OR { 546} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HD3 )) ASSI { 554} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.23282E-02 ppm1 2.496 ppm2 2.050 CV 1 ASSI { 555} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HG3 )) 1.800 0.400 0.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.14964E-01 ppm1 2.816 ppm2 2.511 CV 1 ASSI { 556} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HB2 )) 3.300 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 2.816 ppm2 2.220 CV 1 ASSI { 557} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HB3 )) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 2.816 ppm2 2.055 CV 1 ASSI { 561} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HA )) 3.400 1.400 1.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 0.846 ppm2 4.205 CV 1 ASSI { 562} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.64722E-02 ppm1 0.875 ppm2 4.196 CV 1 ASSI { 563} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB2 )) 2.800 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.28629E-02 ppm1 0.846 ppm2 1.622 CV 1 ASSI { 564} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB3 )) 2.400 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.84546E-02 ppm1 0.846 ppm2 1.845 CV 1 ASSI { 565} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 120 and name HD1%) 1.400 0.200 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.24380E+00 ppm1 0.846 ppm2 0.885 CV 1 ASSI { 567} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HB3 )) 2.500 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.66504E-02 ppm1 0.875 ppm2 1.831 CV 1 ASSI { 570} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 99 and name HD2%) 2.000 0.500 0.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.20714E-01 ppm1 0.730 ppm2 0.824 CV 1 ASSI { 571} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HB3 )) 2.900 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.27502E-02 ppm1 0.730 ppm2 1.370 CV 1 ASSI { 572} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HG )) 2.600 0.800 0.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.37239E-02 ppm1 0.730 ppm2 1.499 CV 1 ASSI { 573} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HB2 )) 3.000 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 0.730 ppm2 1.635 CV 1 ASSI { 574} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 574 spectrum 1 weight 0.10000E+01 volume 0.39183E-02 ppm1 0.730 ppm2 3.964 CV 1 ASSI { 577} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HB3 )) 2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.26524E-02 ppm1 0.823 ppm2 1.385 CV 1 ASSI { 578} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HG )) 2.600 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.34742E-02 ppm1 0.823 ppm2 1.484 CV 1 ASSI { 579} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HB2 )) 3.100 1.200 1.200 peak 579 spectrum 1 weight 0.10000E+01 volume 0.32033E-02 ppm1 0.823 ppm2 1.621 CV 1 ASSI { 580} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17150E-02 ppm1 0.823 ppm2 3.960 CV 1 ASSI { 592} (( segid " " and resid 124 and name HG )) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.70188E-03 ppm1 1.651 ppm2 4.456 CV 1 ASSI { 598} (( segid " " and resid 116 and name HG13)) (( segid " " and resid 116 and name HG12)) 1.800 0.400 0.400 peak 598 spectrum 1 weight 0.10000E+01 volume 0.89122E-02 ppm1 0.658 ppm2 1.507 CV 1 ASSI { 603} (( segid " " and resid 116 and name HG12)) ( segid " " and resid 116 and name HG2%) 2.900 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 1.497 ppm2 0.828 CV 1 ASSI { 609} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 116 and name HG13)) 3.000 1.100 1.100 peak 609 spectrum 1 weight 0.10000E+01 volume 0.56392E-02 ppm1 0.808 ppm2 0.664 CV 1 ASSI { 610} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 116 and name HD1%) 2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.59462E-02 ppm1 0.808 ppm2 0.408 CV 1 ASSI { 612} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 116 and name HB )) 2.200 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.76884E-02 ppm1 0.808 ppm2 1.883 CV 1 ASSI { 618} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 3.100 1.200 1.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15730E-02 ppm1 2.148 ppm2 5.109 CV 1 ASSI { 619} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HB2 )) 1.800 0.400 0.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.14320E-01 ppm1 2.842 ppm2 2.164 CV 1 ASSI { 620} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HA )) 3.100 1.200 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.14531E-02 ppm1 2.845 ppm2 5.114 CV 1 ASSI { 627} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.900 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 4.083 ppm2 3.202 CV 1 ASSI { 628} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB3 )) 3.100 1.200 1.200 peak 628 spectrum 1 weight 0.10000E+01 volume 0.24883E-02 ppm1 4.083 ppm2 3.078 CV 1 ASSI { 630} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 3.000 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 3.801 ppm2 3.006 CV 1 ASSI { 631} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB3 )) 3.400 1.400 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14269E-02 ppm1 3.801 ppm2 2.933 CV 1 ASSI { 638} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 2.633 ppm2 3.553 CV 1 ASSI { 639} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 2.500 ppm2 3.537 CV 1 ASSI { 642} (( segid " " and resid 136 and name HB )) (( segid " " and resid 136 and name HG12)) 3.800 1.800 1.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.59008E-03 ppm1 1.819 ppm2 1.181 CV 1 ASSI { 648} (( segid " " and resid 108 and name HG13)) (( segid " " and resid 108 and name HG12)) 1.800 0.400 0.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.90611E-02 ppm1 1.024 ppm2 1.340 CV 1 ASSI { 651} (( segid " " and resid 108 and name HG12)) ( segid " " and resid 108 and name HG2%) 3.100 1.200 1.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 1.340 ppm2 0.446 CV 1 ASSI { 652} (( segid " " and resid 108 and name HG12)) (( segid " " and resid 108 and name HB )) 3.300 1.300 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14390E-02 ppm1 1.340 ppm2 1.765 CV 1 ASSI { 657} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 108 and name HD1%) 1.900 0.400 0.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25044E-01 ppm1 0.441 ppm2 0.524 CV 1 ASSI { 658} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HG13)) 3.500 1.500 1.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.23736E-02 ppm1 0.441 ppm2 1.039 CV 1 ASSI { 660} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HB )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.44732E-02 ppm1 0.441 ppm2 1.761 CV 1 ASSI { 663} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HG13)) 2.600 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.31419E-02 ppm1 0.944 ppm2 1.424 CV 1 ASSI { 664} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HG12)) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.19304E-02 ppm1 0.944 ppm2 1.694 CV 1 ASSI { 665} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HB )) 2.300 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.66745E-02 ppm1 0.944 ppm2 2.207 CV 1 ASSI { 666} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HA )) 2.600 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.38901E-02 ppm1 0.944 ppm2 3.723 CV 1 ASSI { 668} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 136 and name HG12)) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.36323E-02 ppm1 0.932 ppm2 1.189 CV 1 ASSI { 669} ( segid " " and resid 136 and name HG2%) ( segid " " and resid 136 and name HD1%) 2.000 0.500 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.19657E-01 ppm1 0.932 ppm2 0.829 CV 1 ASSI { 670} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 136 and name HB )) 2.300 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.62457E-02 ppm1 0.932 ppm2 1.805 CV 1 ASSI { 676} (( segid " " and resid 108 and name HB )) (( segid " " and resid 108 and name HG13)) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 1.748 ppm2 1.037 CV 1 ASSI { 679} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HG12)) 4.100 2.100 1.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.44006E-03 ppm1 4.778 ppm2 1.348 CV 1 ASSI { 685} (( segid " " and resid 133 and name HG13)) (( segid " " and resid 133 and name HG12)) 1.700 0.400 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.11742E-01 ppm1 1.415 ppm2 1.694 CV 1 ASSI { 686} (( segid " " and resid 133 and name HG13)) (( segid " " and resid 133 and name HA )) 4.100 2.100 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.82069E-03 ppm1 1.415 ppm2 3.724 CV 1 ASSI { 689} (( segid " " and resid 133 and name HG13)) (( segid " " and resid 133 and name HB )) 2.700 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.24591E-02 ppm1 1.415 ppm2 2.210 CV 1 ASSI { 690} (( segid " " and resid 133 and name HG12)) (( segid " " and resid 133 and name HB )) 2.800 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.19899E-02 ppm1 1.684 ppm2 2.210 CV 1 ASSI { 697} (( segid " " and resid 136 and name HG13)) (( segid " " and resid 136 and name HG12)) 1.800 0.400 0.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.11943E-01 ppm1 1.751 ppm2 1.191 CV 1 ASSI { 700} (( segid " " and resid 136 and name HG13)) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11651E-02 ppm1 1.751 ppm2 3.999 CV 1 ASSI { 703} (( segid " " and resid 136 and name HG13)) ( segid " " and resid 136 and name HG2%) 3.700 1.700 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 1.751 ppm2 0.945 CV 1 ASSI { 704} (( segid " " and resid 136 and name HG13)) ( segid " " and resid 136 and name HD1%) 2.600 0.800 0.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.36383E-02 ppm1 1.751 ppm2 0.833 CV 1 ASSI { 707} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HG3 )) 1.900 0.400 0.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.12326E-01 ppm1 1.941 ppm2 2.130 CV 1 ASSI { 709} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.46846E-02 ppm1 1.941 ppm2 1.785 CV 1 ASSI { 712} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 2.900 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.37582E-02 ppm1 2.123 ppm2 1.785 CV 1 ASSI { 713} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HB2 )) 2.600 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.29888E-02 ppm1 2.123 ppm2 1.731 CV 1 ASSI { 714} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HA )) 3.600 1.600 1.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.61526E-03 ppm1 2.123 ppm2 3.855 CV 1 ASSI { 716} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 2.700 0.900 0.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.43704E-02 ppm1 4.225 ppm2 4.005 CV 1 ASSI { 717} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB3 )) 2.400 0.700 0.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.58497E-02 ppm1 4.224 ppm2 3.883 CV 1 ASSI { 723} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HG )) 2.300 0.600 0.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.81920E-02 ppm1 0.861 ppm2 1.863 CV 1 ASSI { 736} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 144 and name HG1%) 2.300 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.79856E-02 ppm1 0.815 ppm2 1.057 CV 1 ASSI { 737} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HB )) 2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.47823E-02 ppm1 0.815 ppm2 2.064 CV 1 ASSI { 740} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 144 and name HB )) 2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.44389E-02 ppm1 1.040 ppm2 2.046 CV 1 ASSI { 741} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 144 and name HA )) 2.900 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.19214E-02 ppm1 1.040 ppm2 4.562 CV 1 ASSI { 742} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.21389E-02 ppm1 0.815 ppm2 4.556 CV 1 ASSI { 747} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HA )) 3.400 1.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.99893E-03 ppm1 1.847 ppm2 4.213 CV 1 ASSI { 748} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HB2 )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.34339E-02 ppm1 1.847 ppm2 1.620 CV 1 ASSI { 749} (( segid " " and resid 120 and name HG )) ( segid " " and resid 120 and name HD1%) 2.200 0.600 0.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10191E-01 ppm1 1.847 ppm2 0.880 CV 1 ASSI { 750} (( segid " " and resid 120 and name HG )) ( segid " " and resid 120 and name HD2%) 2.100 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.11873E-01 ppm1 1.847 ppm2 0.841 CV 1 ASSI { 752} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.30412E-02 ppm1 1.846 ppm2 2.065 CV 1 ASSI { 753} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name HB3 )) 2.600 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.53392E-02 ppm1 1.846 ppm2 1.631 CV 1 ASSI { 756} (( segid " " and resid 93 and name HG )) ( segid " " and resid 93 and name HD1%) 2.300 0.600 0.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.79747E-02 ppm1 1.846 ppm2 0.827 CV 1 ASSI { 757} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 93 and name HD1%) 1.300 0.200 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.34228E+00 ppm1 0.861 ppm2 0.841 CV 1 ASSI { 762} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HB2 )) 2.500 0.800 0.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.42325E-02 ppm1 0.825 ppm2 2.063 CV 1 ASSI { 766} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB3 )) 1.800 0.400 0.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.11279E-01 ppm1 1.996 ppm2 1.358 CV 1 ASSI { 768} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG )) 2.600 0.900 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.23504E-02 ppm1 1.996 ppm2 1.666 CV 1 ASSI { 769} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HG )) 2.400 0.700 0.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.79281E-02 ppm1 1.352 ppm2 1.662 CV 1 ASSI { 770} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD2%) 2.700 0.900 0.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.37239E-02 ppm1 1.996 ppm2 0.889 CV 1 OR { 770} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD1%) ASSI { 771} (( segid " " and resid 129 and name HB3 )) ( segid " " and resid 129 and name HD1%) 2.500 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 1.352 ppm2 0.897 CV 1 OR { 771} (( segid " " and resid 129 and name HB3 )) ( segid " " and resid 129 and name HD2%) ASSI { 776} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 3.000 1.100 1.100 peak 776 spectrum 1 weight 0.10000E+01 volume 0.21419E-02 ppm1 4.016 ppm2 2.012 CV 1 ASSI { 777} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG )) 3.100 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 4.016 ppm2 1.664 CV 1 ASSI { 778} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB3 )) 2.500 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.32114E-02 ppm1 4.016 ppm2 1.355 CV 1 ASSI { 779} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HD2%) 2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 4.016 ppm2 0.895 CV 1 ASSI { 786} (( segid " " and resid 129 and name HG )) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.51619E-02 ppm1 1.653 ppm2 0.897 CV 1 OR { 786} (( segid " " and resid 129 and name HG )) ( segid " " and resid 129 and name HD1%) ASSI { 788} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB3 )) 2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.46967E-02 ppm1 0.905 ppm2 1.361 CV 1 ASSI { 789} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HG )) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.58002E-02 ppm1 0.905 ppm2 1.670 CV 1 ASSI { 790} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB2 )) 2.900 1.000 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 0.903 ppm2 2.017 CV 1 ASSI { 791} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HA )) 3.100 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.56312E-02 ppm1 0.903 ppm2 4.022 CV 1 ASSI { 793} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) 2.800 1.000 1.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.28912E-02 ppm1 3.898 ppm2 1.874 CV 1 ASSI { 794} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB3 )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.24853E-02 ppm1 3.898 ppm2 1.267 CV 1 ASSI { 795} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.62779E-02 ppm1 3.898 ppm2 0.834 CV 1 OR { 795} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) ASSI { 798} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 1.800 0.400 0.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.12134E-01 ppm1 1.868 ppm2 1.246 CV 1 ASSI { 802} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD2%) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.51207E-02 ppm1 1.265 ppm2 0.836 CV 1 OR { 802} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD1%) ASSI { 803} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.50320E-02 ppm1 1.868 ppm2 0.831 CV 1 OR { 803} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 805} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HA )) 3.300 1.300 1.300 peak 805 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 1.856 ppm2 3.910 CV 1 ASSI { 806} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HB3 )) 3.200 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+01 volume 0.14128E-02 ppm1 1.854 ppm2 1.288 CV 1 ASSI { 808} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB3 )) 3.000 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 0.842 ppm2 1.257 CV 1 ASSI { 809} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB2 )) 2.200 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.78718E-02 ppm1 0.842 ppm2 1.892 CV 1 ASSI { 810} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HA )) 3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 0.847 ppm2 3.905 CV 1 ASSI { 812} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HB3 )) 2.600 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.35578E-02 ppm1 0.825 ppm2 1.261 CV 1 ASSI { 813} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.87639E-02 ppm1 0.825 ppm2 1.880 CV 1 ASSI { 814} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.62135E-02 ppm1 0.825 ppm2 3.911 CV 1 ASSI { 815} (( segid " " and resid 117 and name HG )) ( segid " " and resid 117 and name HD2%) 2.100 0.500 0.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12426E-01 ppm1 1.853 ppm2 0.853 CV 1 OR { 815} (( segid " " and resid 117 and name HG )) ( segid " " and resid 117 and name HD1%) ASSI { 817} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 124 and name HD2%) 2.100 0.500 0.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.19173E-01 ppm1 0.816 ppm2 0.951 CV 1 ASSI { 818} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB3 )) 2.900 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.39465E-02 ppm1 0.816 ppm2 1.362 CV 1 ASSI { 819} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG )) 2.300 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.62940E-02 ppm1 0.816 ppm2 1.664 CV 1 ASSI { 820} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB2 )) 2.500 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.36605E-02 ppm1 0.816 ppm2 1.849 CV 1 ASSI { 821} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HA )) 2.900 1.000 1.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.63676E-02 ppm1 0.816 ppm2 4.465 CV 1 ASSI { 825} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HG )) 2.000 0.500 0.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.14481E-01 ppm1 0.938 ppm2 1.664 CV 1 ASSI { 826} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.81167E-03 ppm1 0.938 ppm2 4.465 CV 1 ASSI { 828} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.900 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.20845E-02 ppm1 3.930 ppm2 2.038 CV 1 ASSI { 836} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 2.294 ppm2 4.565 CV 1 ASSI { 837} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 837 spectrum 1 weight 0.10000E+01 volume 0.13101E-02 ppm1 2.414 ppm2 4.582 CV 1 ASSI { 840} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HB3 )) 1.800 0.400 0.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.14924E-01 ppm1 1.929 ppm2 2.121 CV 1 ASSI { 842} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 3.300 1.300 1.300 peak 842 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 1.926 ppm2 4.220 CV 1 ASSI { 843} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.500 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.42274E-02 ppm1 2.120 ppm2 4.207 CV 1 ASSI { 845} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG3 )) 1.800 0.400 0.400 peak 845 spectrum 1 weight 0.10000E+01 volume 0.42526E-01 ppm1 2.131 ppm2 2.266 CV 1 OR { 845} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name HG3 )) ASSI { 846} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name HG2 )) 2.200 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.10644E-01 ppm1 2.131 ppm2 2.391 CV 1 OR { 846} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG2 )) ASSI { 850} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG3 )) 3.000 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 4.103 ppm2 2.267 CV 1 ASSI { 851} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 2.300 0.600 0.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.10553E-01 ppm1 4.103 ppm2 2.140 CV 1 OR { 851} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) ASSI { 853} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 138 and name HA )) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.72303E-02 ppm1 1.481 ppm2 4.182 CV 1 ASSI { 866} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HB3 )) 1.800 0.400 0.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.17049E-01 ppm1 3.983 ppm2 3.884 CV 1 ASSI { 874} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 1.900 0.400 0.400 peak 874 spectrum 1 weight 0.10000E+01 volume 0.98273E-02 ppm1 4.492 ppm2 4.095 CV 1 ASSI { 879} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HA )) 2.900 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.22647E-02 ppm1 4.492 ppm2 5.066 CV 1 ASSI { 880} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HA )) 2.600 0.800 0.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.32879E-02 ppm1 4.090 ppm2 5.066 CV 1 ASSI { 885} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.27219E-02 ppm1 0.822 ppm2 5.084 CV 1 ASSI { 887} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HA )) 2.600 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.40441E-02 ppm1 1.101 ppm2 3.804 CV 1 ASSI { 889} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 154 and name HB )) 2.400 0.700 0.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.60348E-02 ppm1 1.168 ppm2 4.324 CV 1 ASSI { 890} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 154 and name HA )) 3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.34138E-02 ppm1 1.172 ppm2 4.416 CV 1 ASSI { 891} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.13202E-01 ppm1 1.253 ppm2 4.339 CV 1 ASSI { 895} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HB2 )) 1.900 0.400 0.400 peak 895 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 1.860 ppm2 1.728 CV 1 ASSI { 896} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HG3 )) 3.100 1.200 1.200 peak 896 spectrum 1 weight 0.10000E+01 volume 0.17784E-02 ppm1 4.365 ppm2 2.039 CV 1 OR { 896} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HG2 )) ASSI { 897} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB3 )) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.44329E-02 ppm1 4.365 ppm2 1.878 CV 1 ASSI { 904} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.400 0.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.84891E-02 ppm1 1.817 ppm2 2.258 CV 1 ASSI { 907} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HG2 )) 2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.14924E-02 ppm1 1.817 ppm2 2.486 CV 1 ASSI { 908} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 110 and name HA )) 2.900 1.100 1.100 peak 908 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 1.817 ppm2 3.820 CV 1 ASSI { 909} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 1.817 ppm2 4.066 CV 1 ASSI { 911} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 911 spectrum 1 weight 0.10000E+01 volume 0.97479E-03 ppm1 2.258 ppm2 4.066 CV 1 ASSI { 919} (( segid " " and resid 122 and name HG2 )) (( segid " " and resid 122 and name HA )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.78649E-03 ppm1 2.257 ppm2 4.472 CV 1 ASSI { 922} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG2 )) 2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 3.074 ppm2 1.699 CV 1 OR { 922} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HG2 )) ASSI { 923} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HG3 )) 2.700 0.900 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.28267E-02 ppm1 3.074 ppm2 1.524 CV 1 OR { 923} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG3 )) ASSI { 925} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name HG3 )) 3.100 1.200 1.200 peak 925 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 1.932 ppm2 1.535 CV 1 ASSI { 926} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG2 )) 3.000 1.200 1.200 peak 926 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 1.983 ppm2 1.710 CV 1 ASSI { 927} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG3 )) 3.300 1.300 1.300 peak 927 spectrum 1 weight 0.10000E+01 volume 0.97681E-03 ppm1 1.983 ppm2 1.535 CV 1 ASSI { 930} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HG3 )) 1.800 0.400 0.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.13111E-01 ppm1 1.686 ppm2 1.546 CV 1 ASSI { 936} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HG3 )) 1.700 0.400 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.12638E-01 ppm1 1.831 ppm2 1.699 CV 1 ASSI { 938} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HB2 )) 2.300 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.73338E-02 ppm1 1.831 ppm2 1.906 CV 1 OR { 938} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HB3 )) ASSI { 939} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HB3 )) 2.300 0.700 0.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.63193E-02 ppm1 1.692 ppm2 1.928 CV 1 OR { 939} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HB2 )) ASSI { 940} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HD2 )) 2.900 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.16233E-02 ppm1 1.692 ppm2 3.204 CV 1 OR { 940} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HD3 )) ASSI { 941} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HD3 )) 2.900 1.100 1.100 peak 941 spectrum 1 weight 0.10000E+01 volume 0.15145E-02 ppm1 1.831 ppm2 3.204 CV 1 OR { 941} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HD2 )) ASSI { 943} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.49998E-02 ppm1 1.930 ppm2 1.655 CV 1 OR { 943} (( segid " " and resid 114 and name HG3 )) (( segid " " and resid 114 and name HB3 )) OR { 943} (( segid " " and resid 114 and name HG3 )) (( segid " " and resid 114 and name HB2 )) OR { 943} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB3 )) ASSI { 950} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HG3 )) 2.300 0.700 0.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 2.427 ppm2 2.242 CV 1 ASSI { 952} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.24078E-02 ppm1 2.427 ppm2 4.112 CV 1 ASSI { 957} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HG2 )) 2.700 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.44449E-02 ppm1 4.209 ppm2 2.296 CV 1 OR { 957} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HG3 )) ASSI { 961} (( segid " " and resid 103 and name HG2 )) (( segid " " and resid 103 and name HB3 )) 2.000 0.500 0.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.19546E-01 ppm1 2.294 ppm2 2.115 CV 1 OR { 961} (( segid " " and resid 103 and name HG3 )) (( segid " " and resid 103 and name HB3 )) ASSI { 962} (( segid " " and resid 103 and name HG3 )) (( segid " " and resid 103 and name HB2 )) 2.400 0.700 0.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.59302E-02 ppm1 2.294 ppm2 1.948 CV 1 OR { 962} (( segid " " and resid 103 and name HG2 )) (( segid " " and resid 103 and name HB2 )) ASSI { 966} (( segid " " and resid 147 and name HG3 )) (( segid " " and resid 147 and name HB3 )) 2.400 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.73338E-02 ppm1 2.326 ppm2 2.068 CV 1 OR { 966} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HB3 )) ASSI { 968} (( segid " " and resid 147 and name HG3 )) (( segid " " and resid 147 and name HA )) 3.100 1.200 1.200 peak 968 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 2.326 ppm2 3.745 CV 1 OR { 968} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HA )) ASSI { 969} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 2.800 1.000 1.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 3.743 ppm2 2.069 CV 1 ASSI { 971} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB3 )) 2.500 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.63434E-02 ppm1 4.127 ppm2 2.015 CV 1 ASSI { 979} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 2.500 0.800 0.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 4.127 ppm2 2.109 CV 1 ASSI { 990} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 100 and name HB2 )) 1.900 0.400 0.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.97479E-02 ppm1 2.556 ppm2 3.020 CV 1 ASSI { 994} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 139 and name HB2 )) 1.900 0.400 0.400 peak 994 spectrum 1 weight 0.10000E+01 volume 0.13544E-01 ppm1 2.846 ppm2 2.678 CV 1 ASSI { 996} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.27582E-02 ppm1 2.687 ppm2 4.653 CV 1 ASSI { 997} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 997 spectrum 1 weight 0.10000E+01 volume 0.21560E-02 ppm1 2.846 ppm2 4.653 CV 1 ASSI { 1002} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HB3 )) 1.600 0.300 0.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.32950E-01 ppm1 2.753 ppm2 2.631 CV 1 ASSI { 1006} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.600 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.33322E-02 ppm1 4.337 ppm2 2.770 CV 1 ASSI { 1008} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB3 )) 2.800 1.000 1.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.45013E-02 ppm1 4.337 ppm2 2.634 CV 1 ASSI { 1011} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HG2 )) 1.800 0.400 0.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.11218E-01 ppm1 2.351 ppm2 2.481 CV 1 ASSI { 1013} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.31177E-02 ppm1 2.467 ppm2 2.260 CV 1 ASSI { 1015} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HB2 )) 2.500 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.38669E-02 ppm1 2.351 ppm2 2.260 CV 1 ASSI { 1016} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.22647E-02 ppm1 2.351 ppm2 1.824 CV 1 ASSI { 1017} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HA )) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.62940E-03 ppm1 2.467 ppm2 4.073 CV 1 ASSI { 1018} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.82880E-03 ppm1 2.351 ppm2 4.073 CV 1 ASSI { 1023} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) 2.900 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 4.365 ppm2 1.732 CV 1 ASSI { 1029} (( segid " " and resid 97 and name HZ )) (( segid " " and resid 146 and name HN )) 3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.38569E-03 ppm1 7.054 ppm2 8.203 CV 1 ASSI { 1030} (( segid " " and resid 97 and name HZ )) ( segid " " and resid 97 and name HD% ) 4.600 2.700 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.34238E-03 ppm1 7.054 ppm2 6.539 CV 1 ASSI { 1035} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 153 and name HE% ) 3.800 1.800 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.50753E-03 ppm1 7.289 ppm2 1.841 CV 1 OR { 1035} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 153 and name HB3 )) ASSI { 1036} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 93 and name HB3 )) 3.400 1.400 1.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.64245E-03 ppm1 7.289 ppm2 1.663 CV 1 ASSI { 1045} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 149 and name HE% ) 2.300 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.64722E-02 ppm1 7.079 ppm2 7.363 CV 1 ASSI { 1047} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 97 and name HD% ) 3.300 3.300 2.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 7.079 ppm2 6.541 CV 1 ASSI { 1049} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HB2 )) 2.900 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 7.079 ppm2 3.198 CV 1 ASSI { 1050} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HB3 )) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 7.079 ppm2 3.085 CV 1 ASSI { 1057} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 97 and name HN )) 4.900 3.000 1.100 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30311E-03 ppm1 6.538 ppm2 8.425 CV 1 ASSI { 1066} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 149 and name HB2 )) 4.700 2.800 1.300 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.42395E-03 ppm1 7.361 ppm2 3.198 CV 1 ASSI { 1069} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 93 and name HB3 )) 3.100 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.89220E-03 ppm1 7.361 ppm2 1.648 CV 1 ASSI { 1073} ( segid " " and resid 97 and name HE% ) ( segid " " and resid 97 and name HD% ) 2.600 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.40724E-02 ppm1 7.168 ppm2 6.543 CV 1 ASSI { 1074} ( segid " " and resid 146 and name HE% ) ( segid " " and resid 146 and name HD% ) 2.800 1.000 1.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 6.996 ppm2 6.543 CV 1 ASSI { 1078} ( segid " " and resid 146 and name HE% ) (( segid " " and resid 146 and name HB3 )) 4.600 2.600 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.53774E-03 ppm1 6.996 ppm2 2.516 CV 1 ASSI { 1081} ( segid " " and resid 97 and name HE% ) (( segid " " and resid 101 and name HB3 )) 3.800 1.800 1.800 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.58709E-03 ppm1 7.168 ppm2 1.966 CV 1 ASSI { 1092} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.100 2.100 1.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.89524E-03 ppm1 6.802 ppm2 2.871 CV 1 ASSI { 1094} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 96 and name HB% ) 3.300 1.300 1.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 6.802 ppm2 1.667 CV 1 ASSI { 1095} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 116 and name HG12)) 3.400 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.57905E-03 ppm1 6.802 ppm2 1.499 CV 1 ASSI { 1097} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 116 and name HG2%) 3.000 1.100 1.100 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 6.802 ppm2 0.833 CV 1 ASSI { 1098} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 112 and name HG1%) 3.300 1.400 1.400 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 6.802 ppm2 0.723 CV 1 ASSI { 1099} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 116 and name HD1%) 3.600 1.600 1.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.90530E-03 ppm1 6.802 ppm2 0.416 CV 1 ASSI { 1101} ( segid " " and resid 100 and name HD% ) (( segid " " and resid 100 and name HN )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 7.140 ppm2 7.526 CV 1 ASSI { 1103} ( segid " " and resid 100 and name HD% ) (( segid " " and resid 97 and name HA )) 3.400 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.76430E-03 ppm1 7.140 ppm2 3.812 CV 1 ASSI { 1104} ( segid " " and resid 100 and name HD% ) (( segid " " and resid 100 and name HB2 )) 2.800 1.000 1.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 7.140 ppm2 3.023 CV 1 ASSI { 1105} ( segid " " and resid 100 and name HD% ) (( segid " " and resid 100 and name HB3 )) 2.900 1.000 1.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.22305E-02 ppm1 7.140 ppm2 2.563 CV 1 ASSI { 1107} ( segid " " and resid 100 and name HD% ) ( segid " " and resid 112 and name HG1%) 3.100 1.200 1.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 7.140 ppm2 0.717 CV 1 ASSI { 1108} ( segid " " and resid 100 and name HD% ) ( segid " " and resid 116 and name HD1%) 3.400 1.500 1.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.80563E-03 ppm1 7.140 ppm2 0.419 CV 1 ASSI { 1112} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.900 1.100 1.100 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 6.781 ppm2 3.046 CV 1 ASSI { 1115} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 100 and name HD% ) 2.100 0.600 0.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.11842E-01 ppm1 6.802 ppm2 7.142 CV 1 ASSI { 1119} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 1.800 0.400 0.400 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16082E-01 ppm1 4.201 ppm2 3.779 CV 1 ASSI { 1125} (( segid " " and resid 106 and name HA2 )) (( segid " " and resid 106 and name HA1 )) 1.800 0.400 0.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.15931E-01 ppm1 4.262 ppm2 3.659 CV 1 ASSI { 1130} (( segid " " and resid 104 and name HA1 )) (( segid " " and resid 104 and name HA2 )) 1.800 0.400 0.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.19546E-01 ppm1 3.722 ppm2 3.863 CV 1 ASSI { 1133} (( segid " " and resid 104 and name HA1 )) (( segid " " and resid 105 and name HN )) 3.900 1.900 1.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.43402E-03 ppm1 3.722 ppm2 9.612 CV 1 ASSI { 1134} (( segid " " and resid 104 and name HA2 )) (( segid " " and resid 104 and name HN )) 2.800 1.000 1.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 3.852 ppm2 7.835 CV 1 ASSI { 1135} (( segid " " and resid 104 and name HA2 )) (( segid " " and resid 105 and name HN )) 3.800 1.800 1.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.47833E-03 ppm1 3.852 ppm2 9.612 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HA2 )) (( segid " " and resid 152 and name HN )) 3.500 1.600 1.600 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.57905E-03 ppm1 3.873 ppm2 7.571 CV 1 ASSI { 1143} (( segid " " and resid 151 and name HA1 )) (( segid " " and resid 152 and name HN )) 4.000 2.000 2.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.63745E-03 ppm1 3.777 ppm2 7.584 CV 1 ASSI { 1145} (( segid " " and resid 142 and name HA1 )) (( segid " " and resid 142 and name HN )) 3.300 1.300 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.91938E-03 ppm1 3.766 ppm2 10.549 CV 1 ASSI { 1146} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HN )) 3.300 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 4.201 ppm2 10.549 CV 1 ASSI { 1147} (( segid " " and resid 106 and name HA1 )) (( segid " " and resid 106 and name HN )) 3.200 1.300 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 3.646 ppm2 10.610 CV 1 ASSI { 1148} (( segid " " and resid 106 and name HA2 )) (( segid " " and resid 106 and name HN )) 3.500 1.500 1.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.94157E-03 ppm1 4.262 ppm2 10.620 CV 1 ASSI { 1151} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 141 and name HN )) 3.500 1.500 1.500 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.78247E-03 ppm1 3.844 ppm2 9.176 CV 1 OR { 1151} (( segid " " and resid 140 and name HA1 )) (( segid " " and resid 141 and name HN )) ASSI { 1152} (( segid " " and resid 140 and name HA1 )) (( segid " " and resid 142 and name HN )) 4.300 2.300 1.700 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.35044E-03 ppm1 3.844 ppm2 10.542 CV 1 OR { 1152} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 142 and name HN )) ASSI { 1154} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.300 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.17532E-02 ppm1 4.410 ppm2 2.999 CV 1 ASSI { 1155} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB3 )) 2.500 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.39465E-02 ppm1 4.410 ppm2 2.642 CV 1 ASSI { 1159} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.25236E-02 ppm1 2.596 ppm2 4.401 CV 1 ASSI { 1165} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 112 and name HN )) 3.600 1.600 1.600 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.10423E-02 ppm1 2.702 ppm2 7.491 CV 1 ASSI { 1167} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.600 0.800 0.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.40784E-02 ppm1 4.387 ppm2 2.707 CV 1 ASSI { 1170} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.300 0.600 0.600 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.94853E-02 ppm1 4.102 ppm2 2.138 CV 1 OR { 1170} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) ASSI { 1175} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 114 and name HG3 )) 3.000 1.100 1.100 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 0.667 ppm2 1.928 CV 1 OR { 1175} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 114 and name HG2 )) ASSI { 1176} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 113 and name HG3 )) 3.600 1.600 1.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.11641E-02 ppm1 0.667 ppm2 2.350 CV 1 ASSI { 1177} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 113 and name HG2 )) 3.100 1.200 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.95870E-03 ppm1 0.667 ppm2 2.473 CV 1 ASSI { 1178} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 114 and name HD3 )) 3.300 1.400 1.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.40180E-03 ppm1 0.667 ppm2 3.248 CV 1 OR { 1178} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 114 and name HD2 )) ASSI { 1180} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 114 and name HN )) 3.300 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.97175E-03 ppm1 0.667 ppm2 8.170 CV 1 ASSI { 1181} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HN )) 4.000 2.000 2.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.72407E-03 ppm1 0.667 ppm2 8.309 CV 1 ASSI { 1184} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 100 and name HB3 )) 4.000 2.000 2.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.33533E-03 ppm1 0.504 ppm2 2.533 CV 1 ASSI { 1188} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HA )) 5.100 3.200 0.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.38367E-03 ppm1 0.504 ppm2 4.787 CV 1 ASSI { 1189} ( segid " " and resid 108 and name HD1%) ( segid " " and resid 97 and name HD% ) 3.500 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.68981E-03 ppm1 0.504 ppm2 6.528 CV 1 ASSI { 1191} ( segid " " and resid 108 and name HD1%) ( segid " " and resid 149 and name HE% ) 3.900 1.900 1.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.43805E-03 ppm1 0.504 ppm2 7.374 CV 1 ASSI { 1192} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 113 and name HN )) 3.900 1.900 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.49444E-03 ppm1 0.504 ppm2 7.987 CV 1 ASSI { 1193} ( segid " " and resid 116 and name HD1%) ( segid " " and resid 96 and name HB% ) 3.100 1.200 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.64751E-03 ppm1 0.407 ppm2 1.676 CV 1 ASSI { 1194} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 100 and name HB2 )) 3.700 1.800 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.29304E-03 ppm1 0.407 ppm2 3.020 CV 1 ASSI { 1195} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 97 and name HA )) 3.900 1.900 1.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.33735E-03 ppm1 0.407 ppm2 3.808 CV 1 ASSI { 1196} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 0.407 ppm2 4.074 CV 1 ASSI { 1197} ( segid " " and resid 116 and name HD1%) ( segid " " and resid 97 and name HD% ) 3.500 1.500 1.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.32929E-03 ppm1 0.407 ppm2 6.525 CV 1 ASSI { 1200} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 149 and name HZ )) 4.000 2.000 2.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.45819E-03 ppm1 0.407 ppm2 7.270 CV 1 ASSI { 1201} ( segid " " and resid 116 and name HD1%) ( segid " " and resid 149 and name HE% ) 3.400 1.400 1.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.87507E-03 ppm1 0.407 ppm2 7.363 CV 1 ASSI { 1207} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 133 and name HA )) 3.300 1.300 1.300 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 0.827 ppm2 3.718 CV 1 ASSI { 1208} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 137 and name HN )) 3.300 1.400 1.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.43604E-03 ppm1 0.827 ppm2 7.843 CV 1 ASSI { 1209} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 101 and name HB3 )) 3.300 1.400 1.400 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 0.441 ppm2 1.939 CV 1 ASSI { 1212} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HA )) 2.600 0.800 0.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.37642E-02 ppm1 0.441 ppm2 4.789 CV 1 ASSI { 1213} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 97 and name HD% ) 3.800 1.800 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.64452E-03 ppm1 0.441 ppm2 6.534 CV 1 ASSI { 1214} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 97 and name HZ )) 3.300 1.400 1.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.97882E-03 ppm1 0.441 ppm2 7.019 CV 1 ASSI { 1215} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 97 and name HE% ) 3.800 1.800 1.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.48437E-03 ppm1 0.441 ppm2 7.143 CV 1 ASSI { 1219} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 96 and name HB% ) 2.900 1.100 1.100 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.19989E-02 ppm1 0.808 ppm2 1.672 CV 1 ASSI { 1220} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 117 and name HA )) 3.400 1.500 1.500 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.80460E-03 ppm1 0.808 ppm2 3.893 CV 1 ASSI { 1221} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 149 and name HZ )) 3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.61325E-03 ppm1 0.808 ppm2 7.292 CV 1 ASSI { 1222} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 149 and name HE% ) 3.500 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.62434E-03 ppm1 0.808 ppm2 7.358 CV 1 ASSI { 1224} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 117 and name HN )) 3.700 1.700 1.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.94761E-03 ppm1 0.808 ppm2 8.184 CV 1 ASSI { 1233} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 110 and name HB )) 2.600 0.800 0.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.37642E-02 ppm1 0.944 ppm2 4.251 CV 1 ASSI { 1236} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 134 and name HN )) 3.600 1.600 1.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.92950E-03 ppm1 0.944 ppm2 7.994 CV 1 ASSI { 1238} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 136 and name HN )) 3.600 1.600 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 0.932 ppm2 8.521 CV 1 ASSI { 1240} ( segid " " and resid 131 and name HB% ) (( segid " " and resid 132 and name HG2 )) 3.800 1.800 1.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.77235E-03 ppm1 1.543 ppm2 2.799 CV 1 ASSI { 1241} ( segid " " and resid 131 and name HB% ) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.22567E-02 ppm1 1.543 ppm2 4.421 CV 1 ASSI { 1245} ( segid " " and resid 118 and name HB% ) ( segid " " and resid 129 and name HD2%) 2.500 0.800 0.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.61244E-02 ppm1 1.449 ppm2 0.886 CV 1 OR { 1245} ( segid " " and resid 118 and name HB% ) ( segid " " and resid 129 and name HD1%) ASSI { 1247} ( segid " " and resid 118 and name HB% ) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 1.449 ppm2 4.025 CV 1 ASSI { 1250} ( segid " " and resid 118 and name HB% ) (( segid " " and resid 117 and name HN )) 4.500 2.600 1.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.45114E-03 ppm1 1.449 ppm2 8.202 CV 1 ASSI { 1256} ( segid " " and resid 96 and name HB% ) ( segid " " and resid 100 and name HD% ) 3.900 1.900 1.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.43503E-03 ppm1 1.669 ppm2 7.154 CV 1 ASSI { 1257} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 149 and name HZ )) 3.700 1.700 1.700 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.56392E-03 ppm1 1.669 ppm2 7.313 CV 1 ASSI { 1259} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 97 and name HN )) 3.000 1.100 1.100 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.20191E-02 ppm1 1.669 ppm2 8.420 CV 1 ASSI { 1261} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 153 and name HA )) 3.800 1.800 1.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.63842E-03 ppm1 1.862 ppm2 4.364 CV 1 ASSI { 1262} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 149 and name HZ )) 3.900 1.900 1.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.46826E-03 ppm1 1.862 ppm2 7.298 CV 1 ASSI { 1263} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 149 and name HE% ) 3.800 1.800 1.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.49344E-03 ppm1 1.862 ppm2 7.372 CV 1 ASSI { 1271} ( segid " " and resid 132 and name HE% ) ( segid " " and resid 124 and name HD2%) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 2.068 ppm2 0.959 CV 1 ASSI { 1272} ( segid " " and resid 132 and name HE% ) ( segid " " and resid 117 and name HD2%) 2.300 0.700 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.90271E-02 ppm1 2.068 ppm2 0.829 CV 1 OR { 1272} ( segid " " and resid 132 and name HE% ) ( segid " " and resid 117 and name HD1%) ASSI { 1273} ( segid " " and resid 132 and name HE% ) (( segid " " and resid 132 and name HG3 )) 2.900 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 2.068 ppm2 2.512 CV 1 ASSI { 1274} ( segid " " and resid 132 and name HE% ) (( segid " " and resid 128 and name HB3 )) 3.500 1.500 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.50048E-03 ppm1 2.068 ppm2 2.659 CV 1 ASSI { 1275} ( segid " " and resid 132 and name HE% ) (( segid " " and resid 132 and name HG2 )) 3.500 1.600 1.600 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 2.068 ppm2 2.832 CV 1 ASSI { 1276} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 144 and name HG1%) 2.900 1.000 1.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.23222E-02 ppm1 1.922 ppm2 1.017 CV 1 ASSI { 1277} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 108 and name HD1%) 3.600 1.600 1.600 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.67671E-03 ppm1 1.922 ppm2 0.521 CV 1 ASSI { 1278} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 116 and name HD1%) 3.400 1.400 1.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 1.922 ppm2 0.430 CV 1 ASSI { 1279} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 1.922 ppm2 2.267 CV 1 ASSI { 1280} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HG3 )) 2.900 1.000 1.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.23393E-02 ppm1 1.922 ppm2 2.351 CV 1 ASSI { 1281} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HG2 )) 3.100 1.200 1.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 1.922 ppm2 2.477 CV 1 ASSI { 1283} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 149 and name HB3 )) 5.100 3.200 0.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.37863E-03 ppm1 1.922 ppm2 3.084 CV 1 ASSI { 1284} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 149 and name HD% ) 3.200 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 1.922 ppm2 7.080 CV 1 ASSI { 1285} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 149 and name HE% ) 3.900 1.900 1.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.68073E-03 ppm1 1.922 ppm2 7.371 CV 1 ASSI { 1287} ( segid " " and resid 112 and name HG1%) ( segid " " and resid 108 and name HD1%) 2.600 0.800 0.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.43644E-02 ppm1 0.710 ppm2 0.518 CV 1 ASSI { 1288} ( segid " " and resid 112 and name HG1%) ( segid " " and resid 116 and name HD1%) 2.500 0.800 0.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.44107E-02 ppm1 0.710 ppm2 0.428 CV 1 ASSI { 1289} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 116 and name HG12)) 3.800 1.800 1.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.99595E-03 ppm1 0.710 ppm2 1.498 CV 1 ASSI { 1290} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 108 and name HB )) 3.300 1.300 1.300 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 0.710 ppm2 1.756 CV 1 ASSI { 1291} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 116 and name HB )) 4.600 2.600 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.46423E-03 ppm1 0.710 ppm2 1.872 CV 1 ASSI { 1293} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 100 and name HB3 )) 3.400 1.400 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.69786E-03 ppm1 0.710 ppm2 2.568 CV 1 ASSI { 1294} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 100 and name HB2 )) 3.500 1.600 1.600 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 0.710 ppm2 3.032 CV 1 ASSI { 1295} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 113 and name HA )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.40885E-03 ppm1 0.710 ppm2 4.080 CV 1 ASSI { 1299} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 113 and name HN )) 4.100 2.100 1.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.51156E-03 ppm1 0.710 ppm2 7.987 CV 1 ASSI { 1300} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 108 and name HD1%) 2.700 2.700 3.300 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 0.815 ppm2 0.477 CV 1 ASSI { 1301} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 108 and name HG12)) 4.200 2.200 1.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.77540E-03 ppm1 0.815 ppm2 1.318 CV 1 ASSI { 1302} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 113 and name HB3 )) 3.100 1.200 1.200 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 0.815 ppm2 1.814 CV 1 ASSI { 1303} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.88214E-03 ppm1 0.815 ppm2 2.259 CV 1 ASSI { 1307} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 110 and name HA )) 2.900 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.16736E-02 ppm1 0.815 ppm2 3.807 CV 1 ASSI { 1312} ( segid " " and resid 152 and name HG1%) ( segid " " and resid 113 and name HE% ) 3.000 1.100 1.100 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.18186E-02 ppm1 0.873 ppm2 1.925 CV 1 ASSI { 1316} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 153 and name HN )) 3.400 1.500 1.500 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.87007E-03 ppm1 0.873 ppm2 7.780 CV 1 ASSI { 1317} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 108 and name HG12)) 3.400 1.400 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.13605E-02 ppm1 1.040 ppm2 1.323 CV 1 ASSI { 1318} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 113 and name HB3 )) 3.800 1.800 1.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.80259E-03 ppm1 1.040 ppm2 1.802 CV 1 ASSI { 1319} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.20443E-02 ppm1 1.040 ppm2 2.341 CV 1 ASSI { 1320} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 148 and name HG3 )) 4.100 2.100 1.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.51760E-03 ppm1 1.040 ppm2 2.513 CV 1 OR { 1320} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 148 and name HG2 )) ASSI { 1321} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 149 and name HB3 )) 3.800 1.800 1.800 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 1.040 ppm2 3.065 CV 1 ASSI { 1322} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 149 and name HB2 )) 3.400 1.400 1.400 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.61124E-03 ppm1 1.040 ppm2 3.200 CV 1 ASSI { 1325} ( segid " " and resid 144 and name HG1%) ( segid " " and resid 149 and name HD% ) 3.700 1.700 1.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.62434E-03 ppm1 1.040 ppm2 7.084 CV 1 ASSI { 1328} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 144 and name HN )) 4.700 2.800 1.300 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.38468E-03 ppm1 1.040 ppm2 9.098 CV 1 ASSI { 1329} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 107 and name HB3 )) 4.300 2.300 1.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.46323E-03 ppm1 0.822 ppm2 2.860 CV 1 ASSI { 1330} ( segid " " and resid 143 and name HG2%) ( segid " " and resid 107 and name HD% ) 3.200 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 0.822 ppm2 6.809 CV 1 ASSI { 1331} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 143 and name HN )) 3.600 1.700 1.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.58405E-03 ppm1 0.822 ppm2 7.908 CV 1 ASSI { 1332} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 144 and name HN )) 4.600 2.600 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.49545E-03 ppm1 0.822 ppm2 9.102 CV 1 ASSI { 1334} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 153 and name HB2 )) 3.700 1.700 1.700 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.90530E-03 ppm1 1.168 ppm2 1.747 CV 1 ASSI { 1335} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 153 and name HB3 )) 3.200 1.300 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.87007E-03 ppm1 1.168 ppm2 1.859 CV 1 ASSI { 1336} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 150 and name HG2 )) 2.800 2.800 3.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 1.168 ppm2 1.959 CV 1 ASSI { 1337} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 150 and name HG3 )) 3.100 1.200 1.200 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.69182E-03 ppm1 1.168 ppm2 2.109 CV 1 OR { 1337} ( segid " " and resid 154 and name HG2%) ( segid " " and resid 150 and name HE% ) ASSI { 1339} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 122 and name HB3 )) 3.600 1.600 1.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.62336E-03 ppm1 1.253 ppm2 2.180 CV 1 ASSI { 1343} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 124 and name HN )) 4.400 2.400 1.600 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.40482E-03 ppm1 1.253 ppm2 7.111 CV 1 ASSI { 1345} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 122 and name HN )) 4.000 2.000 2.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.41690E-03 ppm1 1.253 ppm2 8.881 CV 1 ASSI { 1346} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 136 and name HG12)) 3.300 1.300 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21852E-02 ppm1 0.995 ppm2 1.184 CV 1 ASSI { 1347} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 136 and name HG13)) 3.900 1.900 1.900 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 0.995 ppm2 1.766 CV 1 ASSI { 1348} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 113 and name HE% ) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 0.995 ppm2 1.918 CV 1 ASSI { 1350} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 149 and name HA )) 3.200 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 0.995 ppm2 4.071 CV 1 ASSI { 1352} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HN )) 4.000 2.000 2.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.64854E-03 ppm1 0.995 ppm2 7.775 CV 1 ASSI { 1356} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HN )) 3.800 1.800 1.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.93651E-03 ppm1 0.825 ppm2 8.186 CV 1 ASSI { 1357} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 108 and name HD1%) 3.300 1.400 1.400 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.13746E-02 ppm1 1.032 ppm2 0.481 CV 1 ASSI { 1358} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 108 and name HG12)) 4.100 2.100 1.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.92042E-03 ppm1 1.032 ppm2 1.349 CV 1 ASSI { 1359} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 108 and name HB )) 3.200 1.200 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.10775E-02 ppm1 1.032 ppm2 1.757 CV 1 ASSI { 1360} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 111 and name HB3 )) 3.500 1.600 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.67975E-03 ppm1 1.032 ppm2 2.611 CV 1 ASSI { 1361} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 111 and name HB2 )) 3.300 1.400 1.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.42697E-03 ppm1 1.032 ppm2 2.716 CV 1 ASSI { 1362} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 100 and name HB2 )) 4.200 2.200 1.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.54378E-03 ppm1 1.032 ppm2 3.034 CV 1 ASSI { 1363} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.50048E-03 ppm1 1.032 ppm2 4.106 CV 1 ASSI { 1364} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 108 and name HA )) 3.100 1.200 1.200 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.58204E-03 ppm1 1.032 ppm2 4.786 CV 1 ASSI { 1365} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 100 and name HD% ) 3.900 1.900 1.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.49041E-03 ppm1 1.032 ppm2 7.154 CV 1 ASSI { 1367} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 113 and name HN )) 4.500 2.600 1.500 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.57299E-03 ppm1 1.032 ppm2 7.983 CV 1 ASSI { 1368} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 109 and name HN )) 3.400 1.500 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.74516E-03 ppm1 1.032 ppm2 8.613 CV 1 ASSI { 1370} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 128 and name HB3 )) 3.100 1.200 1.200 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.27300E-02 ppm1 0.816 ppm2 2.629 CV 1 ASSI { 1371} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 128 and name HB2 )) 2.900 1.100 1.100 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 0.816 ppm2 2.978 CV 1 ASSI { 1373} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HN )) 3.800 1.800 1.800 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.78948E-03 ppm1 0.815 ppm2 9.460 CV 1 ASSI { 1375} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 121 and name HB3 )) 4.000 2.000 2.000 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.49847E-03 ppm1 0.875 ppm2 2.400 CV 1 ASSI { 1377} ( segid " " and resid 110 and name HG2%) ( segid " " and resid 144 and name HG2%) 2.500 0.800 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.46967E-02 ppm1 1.101 ppm2 0.815 CV 1 ASSI { 1378} ( segid " " and resid 110 and name HG2%) ( segid " " and resid 133 and name HD1%) 3.300 1.400 1.400 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 1.101 ppm2 0.680 CV 1 ASSI { 1380} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 137 and name HB2 )) 2.900 1.000 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.23625E-02 ppm1 1.101 ppm2 2.158 CV 1 ASSI { 1381} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 113 and name HB2 )) 4.400 2.400 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.49142E-03 ppm1 1.101 ppm2 2.282 CV 1 ASSI { 1382} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 137 and name HB3 )) 3.100 1.200 1.200 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 1.101 ppm2 2.848 CV 1 ASSI { 1383} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 144 and name HA )) 4.500 2.600 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.34440E-03 ppm1 1.101 ppm2 4.537 CV 1 ASSI { 1386} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 143 and name HN )) 3.700 1.700 1.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.49948E-03 ppm1 1.101 ppm2 7.909 CV 1 ASSI { 1387} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 111 and name HN )) 4.700 2.800 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.31822E-03 ppm1 1.101 ppm2 8.172 CV 1 ASSI { 1389} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 144 and name HN )) 4.200 2.200 1.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.31116E-03 ppm1 1.101 ppm2 9.108 CV 1 ASSI { 1391} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 96 and name HA )) 3.400 1.500 1.500 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 0.823 ppm2 4.216 CV 1 ASSI { 1392} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HN )) 4.200 2.200 1.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.40482E-03 ppm1 0.823 ppm2 7.585 CV 1 ASSI { 1393} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 117 and name HB3 )) 3.000 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.34007E-02 ppm1 0.905 ppm2 1.285 CV 1 ASSI { 1394} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 118 and name HB% ) 2.800 1.000 1.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.24994E-02 ppm1 0.905 ppm2 1.432 CV 1 ASSI { 1397} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 114 and name HA )) 3.100 1.200 1.200 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 0.905 ppm2 3.744 CV 1 ASSI { 1398} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 126 and name HA )) 3.500 1.500 1.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.66866E-03 ppm1 0.905 ppm2 3.912 CV 1 ASSI { 1399} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 118 and name HA )) 3.100 1.200 1.200 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 0.905 ppm2 4.122 CV 1 ASSI { 1401} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 118 and name HN )) 3.500 1.500 1.500 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.94358E-03 ppm1 0.905 ppm2 7.922 CV 1 ASSI { 1403} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HN )) 4.300 2.400 1.700 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.72706E-03 ppm1 0.905 ppm2 8.284 CV 1 ASSI { 1406} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 154 and name HG2%) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.26243E-02 ppm1 0.825 ppm2 1.171 CV 1 ASSI { 1409} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 150 and name HA )) 3.600 1.600 1.600 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.65756E-03 ppm1 0.824 ppm2 3.881 CV 1 ASSI { 1410} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 149 and name HE% ) 3.800 1.800 1.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.53573E-03 ppm1 0.825 ppm2 7.356 CV 1 ASSI { 1411} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HN )) 4.100 2.100 1.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 0.825 ppm2 8.400 CV 1 ASSI { 1412} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 132 and name HE% ) 2.900 1.000 1.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 0.842 ppm2 2.057 CV 1 ASSI { 1415} (( segid " " and resid 108 and name HG13)) (( segid " " and resid 144 and name HB )) 3.000 1.100 1.100 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 1.024 ppm2 2.053 CV 1 ASSI { 1416} (( segid " " and resid 108 and name HG13)) (( segid " " and resid 108 and name HA )) 4.200 2.200 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.38669E-03 ppm1 1.024 ppm2 4.791 CV 1 ASSI { 1417} (( segid " " and resid 108 and name HG13)) (( segid " " and resid 97 and name HZ )) 4.400 2.400 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.79655E-03 ppm1 1.024 ppm2 7.025 CV 1 ASSI { 1420} (( segid " " and resid 108 and name HG12)) (( segid " " and resid 97 and name HZ )) 4.000 2.000 2.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.34440E-03 ppm1 1.340 ppm2 7.044 CV 1 ASSI { 1424} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB3 )) 2.500 0.800 0.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.36152E-02 ppm1 0.880 ppm2 1.360 CV 1 ASSI { 1425} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 118 and name HB% ) 2.700 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.36212E-02 ppm1 0.880 ppm2 1.431 CV 1 ASSI { 1427} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB2 )) 3.100 1.200 1.200 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.35578E-02 ppm1 0.880 ppm2 2.004 CV 1 ASSI { 1428} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 114 and name HA )) 3.600 1.600 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.53774E-03 ppm1 0.880 ppm2 3.741 CV 1 ASSI { 1430} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 118 and name HN )) 3.900 1.900 1.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.38166E-03 ppm1 0.880 ppm2 7.907 CV 1 ASSI { 1431} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HN )) 4.000 2.000 2.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.64147E-03 ppm1 0.880 ppm2 8.299 CV 1 ASSI { 1432} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 113 and name HG3 )) 3.600 1.600 1.600 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.86805E-03 ppm1 0.846 ppm2 2.370 CV 1 ASSI { 1434} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 114 and name HA )) 3.300 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 0.842 ppm2 3.734 CV 1 ASSI { 1435} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HN )) 4.600 2.600 1.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 0.842 ppm2 8.181 CV 1 ASSI { 1439} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB2 )) 2.800 1.000 1.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.46907E-02 ppm1 0.938 ppm2 1.832 CV 1 ASSI { 1442} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 121 and name HB2 )) 3.100 1.200 1.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.33725E-02 ppm1 0.938 ppm2 2.938 CV 1 ASSI { 1443} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 129 and name HA )) 4.000 2.000 2.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.45920E-03 ppm1 0.938 ppm2 4.034 CV 1 ASSI { 1445} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HN )) 3.800 1.800 1.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.11682E-02 ppm1 0.938 ppm2 7.099 CV 1 ASSI { 1446} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 121 and name HN )) 3.400 1.500 1.500 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.35548E-03 ppm1 0.938 ppm2 7.814 CV 1 ASSI { 1447} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 125 and name HN )) 4.700 2.800 1.300 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.30714E-03 ppm1 0.938 ppm2 9.467 CV 1 ASSI { 1448} (( segid " " and resid 99 and name HG )) (( segid " " and resid 96 and name HA )) 3.600 1.600 1.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.50653E-03 ppm1 1.485 ppm2 4.206 CV 1 ASSI { 1450} (( segid " " and resid 99 and name HG )) (( segid " " and resid 98 and name HN )) 4.500 2.500 1.500 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.32023E-03 ppm1 1.485 ppm2 7.852 CV 1 ASSI { 1456} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 137 and name HN )) 3.700 1.700 1.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 1.199 ppm2 7.829 CV 1 ASSI { 1459} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HN )) 2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 1.996 ppm2 8.362 CV 1 ASSI { 1462} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 96 and name HA )) 3.400 1.400 1.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.72303E-03 ppm1 1.627 ppm2 4.204 CV 1 ASSI { 1463} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HN )) 2.700 0.900 0.900 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.20986E-02 ppm1 1.627 ppm2 7.571 CV 1 ASSI { 1466} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.300 1.400 1.400 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 2.044 ppm2 4.053 CV 1 ASSI { 1467} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 94 and name HA )) 3.600 1.600 1.600 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.70493E-03 ppm1 1.630 ppm2 4.053 CV 1 ASSI { 1472} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 94 and name HE )) 4.200 2.200 1.800 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.23464E-03 ppm1 2.044 ppm2 7.173 CV 1 ASSI { 1473} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 114 and name HA )) 3.200 1.300 1.300 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.91036E-03 ppm1 1.868 ppm2 3.742 CV 1 ASSI { 1474} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 114 and name HA )) 4.100 2.100 1.900 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.53774E-03 ppm1 1.265 ppm2 3.742 CV 1 ASSI { 1476} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HN )) 3.400 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 1.265 ppm2 8.188 CV 1 ASSI { 1477} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HN )) 3.000 1.100 1.100 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 1.868 ppm2 7.915 CV 1 ASSI { 1478} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HN )) 2.700 0.900 0.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 1.868 ppm2 8.188 CV 1 ASSI { 1483} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name HN )) 3.800 1.800 1.800 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.48337E-03 ppm1 1.825 ppm2 9.469 CV 1 ASSI { 1484} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name HN )) 3.500 1.500 1.500 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.93450E-03 ppm1 1.363 ppm2 7.114 CV 1 ASSI { 1488} (( segid " " and resid 108 and name HB )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.26122E-02 ppm1 1.748 ppm2 4.781 CV 1 ASSI { 1490} (( segid " " and resid 108 and name HB )) (( segid " " and resid 108 and name HN )) 4.400 2.500 1.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.33030E-03 ppm1 1.748 ppm2 8.855 CV 1 ASSI { 1492} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 117 and name HA )) 3.200 1.200 1.200 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 1.799 ppm2 3.907 CV 1 ASSI { 1493} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 117 and name HA )) 3.400 1.400 1.400 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.87007E-03 ppm1 1.598 ppm2 3.907 CV 1 ASSI { 1496} (( segid " " and resid 145 and name HB3 )) ( segid " " and resid 107 and name HD% ) 3.400 1.500 1.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.35044E-03 ppm1 2.831 ppm2 6.803 CV 1 OR { 1496} (( segid " " and resid 145 and name HB3 )) ( segid " " and resid 107 and name HE% ) ASSI { 1502} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.40482E-03 ppm1 2.983 ppm2 2.007 CV 1 ASSI { 1503} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 124 and name HB2 )) 3.600 1.600 1.600 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.39777E-03 ppm1 2.983 ppm2 1.828 CV 1 ASSI { 1504} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HG )) 3.700 1.800 1.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.52465E-03 ppm1 2.983 ppm2 1.660 CV 1 ASSI { 1505} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 124 and name HB3 )) 3.300 1.400 1.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 2.983 ppm2 1.370 CV 1 ASSI { 1510} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 129 and name HG )) 4.400 2.400 1.600 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.54983E-03 ppm1 2.636 ppm2 1.649 CV 1 ASSI { 1512} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 124 and name HB3 )) 3.500 1.600 1.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.98388E-03 ppm1 2.636 ppm2 1.381 CV 1 ASSI { 1515} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 124 and name HB2 )) 4.400 2.400 1.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.31822E-03 ppm1 2.636 ppm2 1.839 CV 1 ASSI { 1524} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 124 and name HG )) 3.300 1.300 1.300 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 2.933 ppm2 1.659 CV 1 ASSI { 1526} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 124 and name HD1%) 3.700 1.700 1.700 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.69889E-03 ppm1 2.933 ppm2 0.849 CV 1 ASSI { 1528} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 124 and name HG )) 3.000 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 2.389 ppm2 1.659 CV 1 ASSI { 1529} (( segid " " and resid 121 and name HB3 )) ( segid " " and resid 124 and name HD2%) 3.300 1.300 1.300 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 2.389 ppm2 0.944 CV 1 ASSI { 1530} (( segid " " and resid 121 and name HB3 )) ( segid " " and resid 124 and name HD1%) 3.600 1.700 1.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.59210E-03 ppm1 2.389 ppm2 0.849 CV 1 ASSI { 1531} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HA )) 3.200 1.200 1.200 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.13061E-02 ppm1 2.933 ppm2 4.756 CV 1 ASSI { 1533} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 121 and name HA )) 2.900 1.000 1.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.23313E-02 ppm1 2.386 ppm2 4.756 CV 1 ASSI { 1535} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 122 and name HN )) 4.800 2.900 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.25981E-03 ppm1 2.933 ppm2 8.898 CV 1 ASSI { 1536} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 122 and name HN )) 4.000 2.000 2.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.41892E-03 ppm1 2.386 ppm2 8.898 CV 1 ASSI { 1538} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 143 and name HG2%) 4.300 2.300 1.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.34943E-03 ppm1 3.042 ppm2 0.832 CV 1 ASSI { 1539} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 143 and name HB )) 3.100 1.200 1.200 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 3.046 ppm2 3.861 CV 1 ASSI { 1544} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 107 and name HD% ) 2.900 1.000 1.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 2.854 ppm2 6.796 CV 1 ASSI { 1545} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 108 and name HN )) 3.300 1.300 1.300 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.10503E-02 ppm1 3.046 ppm2 8.857 CV 1 ASSI { 1547} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 144 and name HN )) 4.000 2.000 2.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.46020E-03 ppm1 2.854 ppm2 9.094 CV 1 ASSI { 1551} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 131 and name HA )) 3.000 1.200 1.200 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.16696E-02 ppm1 2.634 ppm2 4.210 CV 1 ASSI { 1553} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HN )) 2.800 1.000 1.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.25679E-02 ppm1 2.753 ppm2 8.000 CV 1 ASSI { 1554} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 135 and name HN )) 3.200 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 2.634 ppm2 7.386 CV 1 ASSI { 1559} (( segid " " and resid 130 and name HB3 )) (( segid " " and resid 127 and name HA )) 2.900 1.100 1.100 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.17814E-02 ppm1 2.730 ppm2 4.148 CV 1 ASSI { 1561} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HN )) 3.100 1.200 1.200 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 2.823 ppm2 8.357 CV 1 ASSI { 1569} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 144 and name HG2%) 4.100 2.100 1.900 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.44712E-03 ppm1 2.148 ppm2 0.838 CV 1 ASSI { 1570} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 139 and name HN )) 3.100 3.100 2.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.22940E-02 ppm1 2.845 ppm2 8.514 CV 1 ASSI { 1571} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 139 and name HN )) 3.300 1.400 1.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 2.148 ppm2 8.524 CV 1 ASSI { 1572} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.99393E-03 ppm1 3.195 ppm2 3.555 CV 1 ASSI { 1573} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 3.068 ppm2 3.555 CV 1 ASSI { 1595} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 98 and name HA )) 3.800 1.800 1.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.38669E-03 ppm1 1.934 ppm2 3.954 CV 1 ASSI { 1596} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 3.400 1.400 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 1.934 ppm2 4.804 CV 1 ASSI { 1598} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 98 and name HA )) 3.500 1.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 2.559 ppm2 3.954 CV 1 ASSI { 1599} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.12799E-02 ppm1 2.559 ppm2 4.804 CV 1 ASSI { 1602} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.600 1.600 1.600 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.65055E-03 ppm1 2.994 ppm2 4.044 CV 1 ASSI { 1603} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 94 and name HA )) 3.300 1.400 1.400 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.78344E-03 ppm1 2.912 ppm2 4.044 CV 1 ASSI { 1604} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 97 and name HD% ) 3.000 1.100 1.100 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.15327E-02 ppm1 2.994 ppm2 6.532 CV 1 ASSI { 1605} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 97 and name HD% ) 2.900 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17955E-02 ppm1 2.912 ppm2 6.539 CV 1 ASSI { 1607} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 97 and name HE% ) 4.700 2.700 1.300 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.40986E-03 ppm1 2.912 ppm2 7.166 CV 1 ASSI { 1608} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 98 and name HN )) 3.200 1.200 1.200 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.84690E-03 ppm1 2.912 ppm2 7.829 CV 1 ASSI { 1612} (( segid " " and resid 146 and name HB2 )) ( segid " " and resid 146 and name HD% ) 3.000 1.200 1.200 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 2.633 ppm2 6.534 CV 1 ASSI { 1613} (( segid " " and resid 146 and name HB3 )) ( segid " " and resid 146 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.14924E-02 ppm1 2.500 ppm2 6.534 CV 1 ASSI { 1614} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HN )) 3.200 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 2.633 ppm2 8.220 CV 1 ASSI { 1615} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 147 and name HN )) 3.500 1.500 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.95766E-03 ppm1 2.633 ppm2 8.356 CV 1 ASSI { 1617} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 147 and name HN )) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.67469E-03 ppm1 2.500 ppm2 8.361 CV 1 ASSI { 1619} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 107 and name HE% ) 4.000 2.000 2.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 2.414 ppm2 6.794 CV 1 OR { 1619} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 107 and name HD% ) ASSI { 1620} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HD21)) 4.000 2.000 2.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.35548E-03 ppm1 2.414 ppm2 7.004 CV 1 ASSI { 1621} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 107 and name HN )) 4.300 2.300 1.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.37360E-03 ppm1 2.414 ppm2 7.310 CV 1 ASSI { 1622} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HD22)) 4.100 2.100 1.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 2.414 ppm2 7.641 CV 1 ASSI { 1623} (( segid " " and resid 105 and name HB3 )) ( segid " " and resid 107 and name HE% ) 3.700 1.700 1.700 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.52063E-03 ppm1 2.294 ppm2 6.794 CV 1 OR { 1623} (( segid " " and resid 105 and name HB3 )) ( segid " " and resid 107 and name HD% ) ASSI { 1624} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HD21)) 3.700 1.700 1.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.32426E-03 ppm1 2.294 ppm2 7.004 CV 1 ASSI { 1625} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 107 and name HN )) 4.100 2.100 1.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.32829E-03 ppm1 2.294 ppm2 7.310 CV 1 ASSI { 1626} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HD22)) 4.300 2.300 1.700 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.77844E-03 ppm1 2.294 ppm2 7.641 CV 1 ASSI { 1627} (( segid " " and resid 116 and name HB )) ( segid " " and resid 108 and name HD1%) 4.000 2.000 2.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.53473E-03 ppm1 1.871 ppm2 0.518 CV 1 ASSI { 1628} (( segid " " and resid 116 and name HB )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.17109E-02 ppm1 1.871 ppm2 4.071 CV 1 ASSI { 1630} (( segid " " and resid 116 and name HB )) (( segid " " and resid 117 and name HN )) 2.600 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.24591E-02 ppm1 1.871 ppm2 8.189 CV 1 ASSI { 1632} (( segid " " and resid 136 and name HB )) (( segid " " and resid 137 and name HN )) 2.900 1.100 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 1.819 ppm2 7.839 CV 1 ASSI { 1633} (( segid " " and resid 136 and name HB )) (( segid " " and resid 136 and name HN )) 3.200 1.300 1.300 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.95870E-03 ppm1 1.819 ppm2 8.544 CV 1 ASSI { 1634} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 149 and name HE% ) 4.600 2.600 1.400 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.33332E-03 ppm1 2.912 ppm2 7.350 CV 1 ASSI { 1636} (( segid " " and resid 94 and name HD3 )) (( segid " " and resid 94 and name HE )) 3.900 1.900 1.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.30613E-03 ppm1 3.071 ppm2 7.208 CV 1 OR { 1636} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HE )) ASSI { 1638} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 133 and name HG13)) 3.500 1.600 1.600 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.73712E-03 ppm1 3.254 ppm2 1.411 CV 1 OR { 1638} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 133 and name HG13)) ASSI { 1647} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HN )) 4.700 2.800 1.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.38065E-03 ppm1 3.254 ppm2 8.179 CV 1 OR { 1647} (( segid " " and resid 114 and name HD3 )) (( segid " " and resid 114 and name HN )) ASSI { 1648} (( segid " " and resid 122 and name HG3 )) ( segid " " and resid 123 and name HG2%) 3.600 1.600 1.600 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.74315E-03 ppm1 2.360 ppm2 1.247 CV 1 ASSI { 1649} (( segid " " and resid 122 and name HG2 )) ( segid " " and resid 123 and name HG2%) 3.700 1.700 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 2.257 ppm2 1.258 CV 1 ASSI { 1650} (( segid " " and resid 122 and name HG2 )) (( segid " " and resid 122 and name HN )) 3.700 1.700 1.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.93956E-03 ppm1 2.257 ppm2 8.882 CV 1 ASSI { 1651} (( segid " " and resid 122 and name HG3 )) (( segid " " and resid 122 and name HN )) 3.300 1.400 1.400 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 2.360 ppm2 8.882 CV 1 ASSI { 1653} (( segid " " and resid 133 and name HB )) (( segid " " and resid 134 and name HN )) 3.100 1.200 1.200 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.13806E-02 ppm1 2.198 ppm2 8.006 CV 1 ASSI { 1654} (( segid " " and resid 133 and name HB )) (( segid " " and resid 133 and name HN )) 2.600 0.900 0.900 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.30613E-02 ppm1 2.198 ppm2 8.311 CV 1 ASSI { 1655} (( segid " " and resid 144 and name HB )) (( segid " " and resid 108 and name HG12)) 3.000 1.200 1.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 2.049 ppm2 1.335 CV 1 ASSI { 1656} (( segid " " and resid 144 and name HB )) ( segid " " and resid 108 and name HD1%) 3.900 1.900 1.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.53976E-03 ppm1 2.049 ppm2 0.482 CV 1 ASSI { 1657} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 3.300 1.400 1.400 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.95669E-03 ppm1 2.049 ppm2 4.563 CV 1 ASSI { 1659} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 2.049 ppm2 9.094 CV 1 ASSI { 1661} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 129 and name HA )) 4.200 2.200 1.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.89927E-03 ppm1 2.033 ppm2 4.026 CV 1 ASSI { 1665} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HN )) 3.700 1.700 1.700 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 2.033 ppm2 8.035 CV 1 ASSI { 1666} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 133 and name HN )) 2.900 1.100 1.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 2.211 ppm2 8.303 CV 1 ASSI { 1667} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 133 and name HN )) 3.900 1.900 1.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.82173E-03 ppm1 2.033 ppm2 8.303 CV 1 ASSI { 1670} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 108 and name HD1%) 3.600 1.600 1.600 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.45719E-03 ppm1 2.258 ppm2 0.521 CV 1 ASSI { 1672} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 133 and name HD1%) 3.300 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.68176E-03 ppm1 1.817 ppm2 0.683 CV 1 ASSI { 1673} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 108 and name HD1%) 3.900 1.900 1.900 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 1.817 ppm2 0.521 CV 1 ASSI { 1674} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 108 and name HG12)) 4.400 2.400 1.600 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.54077E-03 ppm1 1.817 ppm2 1.339 CV 1 ASSI { 1678} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HN )) 3.900 1.900 1.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 2.258 ppm2 8.187 CV 1 ASSI { 1682} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 144 and name HG1%) 4.100 2.100 1.900 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.52465E-03 ppm1 2.467 ppm2 1.052 CV 1 ASSI { 1685} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 144 and name HG1%) 4.000 2.000 2.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.50048E-03 ppm1 2.351 ppm2 1.046 CV 1 ASSI { 1688} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 110 and name HA )) 4.600 2.600 1.400 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.36051E-03 ppm1 2.467 ppm2 3.789 CV 1 ASSI { 1689} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 110 and name HA )) 4.600 2.600 1.400 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.43906E-03 ppm1 2.351 ppm2 3.789 CV 1 ASSI { 1694} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HN )) 3.100 1.200 1.200 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.90932E-03 ppm1 2.495 ppm2 8.029 CV 1 ASSI { 1695} (( segid " " and resid 112 and name HB )) (( segid " " and resid 108 and name HB )) 2.800 1.000 1.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.17492E-02 ppm1 2.093 ppm2 1.754 CV 1 ASSI { 1696} (( segid " " and resid 112 and name HB )) (( segid " " and resid 108 and name HG12)) 4.600 2.700 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.42597E-03 ppm1 2.093 ppm2 1.325 CV 1 ASSI { 1697} (( segid " " and resid 112 and name HB )) ( segid " " and resid 108 and name HD1%) 3.100 1.200 1.200 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.10503E-02 ppm1 2.093 ppm2 0.485 CV 1 ASSI { 1699} (( segid " " and resid 112 and name HB )) (( segid " " and resid 108 and name HA )) 3.300 3.300 2.700 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 2.093 ppm2 4.798 CV 1 ASSI { 1702} (( segid " " and resid 112 and name HB )) (( segid " " and resid 109 and name HN )) 3.600 1.600 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.71096E-03 ppm1 2.093 ppm2 8.609 CV 1 ASSI { 1706} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 150 and name HA )) 3.600 1.700 1.700 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.51760E-03 ppm1 1.710 ppm2 3.855 CV 1 ASSI { 1707} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) 2.600 0.800 0.800 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.42788E-02 ppm1 1.860 ppm2 2.039 CV 1 OR { 1707} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) ASSI { 1711} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HA )) 4.100 2.100 1.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.42093E-03 ppm1 1.836 ppm2 4.220 CV 1 OR { 1711} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HA )) ASSI { 1714} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HG3 )) 3.300 1.400 1.400 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 1.837 ppm2 2.313 CV 1 OR { 1714} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HG3 )) OR { 1714} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HG2 )) OR { 1714} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HG2 )) ASSI { 1716} (( segid " " and resid 150 and name HG2 )) ( segid " " and resid 149 and name HD% ) 4.200 2.200 1.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.46726E-03 ppm1 1.941 ppm2 7.094 CV 1 ASSI { 1717} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HN )) 4.100 2.100 1.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.67067E-03 ppm1 2.123 ppm2 8.436 CV 1 ASSI { 1718} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HN )) 3.800 1.800 1.800 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.94358E-03 ppm1 1.941 ppm2 8.440 CV 1 ASSI { 1720} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HB2 )) 2.700 0.900 0.900 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.31630E-02 ppm1 2.034 ppm2 1.728 CV 1 OR { 1720} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HB2 )) ASSI { 1726} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 151 and name HN )) 3.500 1.500 1.500 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.67671E-03 ppm1 1.781 ppm2 7.879 CV 1 ASSI { 1727} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HN )) 3.200 1.300 1.300 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 1.781 ppm2 8.438 CV 1 ASSI { 1728} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 151 and name HN )) 3.900 1.900 1.900 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.61934E-03 ppm1 1.718 ppm2 7.890 CV 1 ASSI { 1729} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 1.718 ppm2 8.438 CV 1 ASSI { 1731} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 129 and name HD2%) 3.100 1.200 1.200 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.16455E-02 ppm1 1.634 ppm2 0.898 CV 1 OR { 1731} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 129 and name HD1%) OR { 1731} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 129 and name HD1%) ASSI { 1735} (( segid " " and resid 94 and name HG3 )) (( segid " " and resid 94 and name HN )) 4.000 2.000 2.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.58405E-03 ppm1 1.523 ppm2 8.336 CV 1 ASSI { 1736} (( segid " " and resid 133 and name HG12)) (( segid " " and resid 133 and name HN )) 2.600 0.900 0.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.16374E-02 ppm1 1.686 ppm2 8.336 CV 1 ASSI { 1739} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HN )) 2.500 0.800 0.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.27300E-02 ppm1 1.856 ppm2 8.201 CV 1 ASSI { 1740} (( segid " " and resid 136 and name HG13)) (( segid " " and resid 133 and name HA )) 3.800 1.800 1.800 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.46524E-03 ppm1 1.751 ppm2 3.730 CV 1 ASSI { 1742} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HE )) 4.000 2.000 2.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.33231E-03 ppm1 1.686 ppm2 7.190 CV 1 ASSI { 1743} (( segid " " and resid 94 and name HG3 )) (( segid " " and resid 94 and name HE )) 3.900 1.900 1.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.38266E-03 ppm1 1.523 ppm2 7.190 CV 1 ASSI { 1744} (( segid " " and resid 136 and name HG13)) (( segid " " and resid 137 and name HN )) 3.500 1.500 1.500 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 1.751 ppm2 7.846 CV 1 ASSI { 1749} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HA )) 3.700 1.700 1.700 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.67067E-03 ppm1 1.831 ppm2 3.954 CV 1 ASSI { 1753} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 108 and name HN )) 4.100 2.100 1.900 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.44409E-03 ppm1 6.781 ppm2 8.876 CV 1 ASSI { 1754} (( segid " " and resid 142 and name HA2 )) ( segid " " and resid 110 and name HG2%) 3.300 1.300 1.300 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.98388E-03 ppm1 4.201 ppm2 1.102 CV 1 ASSI { 1756} (( segid " " and resid 142 and name HA1 )) ( segid " " and resid 110 and name HG2%) 3.400 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.10453E-02 ppm1 3.766 ppm2 1.102 CV 1 ASSI { 1758} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 143 and name HN )) 3.800 1.900 1.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.65256E-03 ppm1 4.201 ppm2 7.904 CV 1 ASSI { 1759} (( segid " " and resid 142 and name HA1 )) (( segid " " and resid 143 and name HN )) 3.800 1.800 1.800 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 3.766 ppm2 7.904 CV 1 ASSI { 1760} (( segid " " and resid 106 and name HA1 )) (( segid " " and resid 97 and name HZ )) 3.700 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.46726E-03 ppm1 3.646 ppm2 7.028 CV 1 ASSI { 1762} (( segid " " and resid 106 and name HA2 )) (( segid " " and resid 107 and name HN )) 3.700 1.700 1.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.56494E-03 ppm1 4.262 ppm2 7.283 CV 1 ASSI { 1764} (( segid " " and resid 143 and name HB )) (( segid " " and resid 107 and name HB3 )) 3.000 1.100 1.100 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.17532E-02 ppm1 3.851 ppm2 2.867 CV 1 ASSI { 1765} (( segid " " and resid 143 and name HB )) (( segid " " and resid 108 and name HA )) 3.300 3.300 2.700 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.45920E-03 ppm1 3.851 ppm2 4.794 CV 1 ASSI { 1766} (( segid " " and resid 143 and name HB )) ( segid " " and resid 107 and name HD% ) 3.100 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 3.851 ppm2 6.789 CV 1 ASSI { 1767} (( segid " " and resid 143 and name HB )) (( segid " " and resid 143 and name HN )) 4.100 2.100 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.42194E-03 ppm1 3.851 ppm2 7.904 CV 1 ASSI { 1768} (( segid " " and resid 143 and name HB )) (( segid " " and resid 108 and name HN )) 3.900 1.900 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.38166E-03 ppm1 3.851 ppm2 8.870 CV 1 ASSI { 1769} (( segid " " and resid 143 and name HB )) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16435E-02 ppm1 3.851 ppm2 9.100 CV 1 ASSI { 1771} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 94 and name HA )) 4.800 2.900 1.200 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.23866E-03 ppm1 6.524 ppm2 4.030 CV 1 ASSI { 1772} (( segid " " and resid 114 and name HG3 )) (( segid " " and resid 133 and name HG13)) 3.000 1.100 1.100 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.94157E-03 ppm1 1.930 ppm2 1.423 CV 1 OR { 1772} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 133 and name HG13)) ASSI { 1773} (( segid " " and resid 114 and name HG3 )) ( segid " " and resid 129 and name HD1%) 3.600 1.700 1.700 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.77339E-03 ppm1 1.930 ppm2 0.900 CV 1 OR { 1773} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 129 and name HD2%) OR { 1773} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 129 and name HD1%) ASSI { 1775} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 95 and name HN )) 3.300 1.400 1.400 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.97882E-03 ppm1 1.932 ppm2 8.003 CV 1 ASSI { 1776} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name HN )) 3.100 1.200 1.200 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 1.932 ppm2 8.341 CV 1 ASSI { 1777} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 95 and name HN )) 3.500 1.500 1.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.83178E-03 ppm1 1.983 ppm2 8.005 CV 1 ASSI { 1781} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HN )) 3.000 1.100 1.100 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.12638E-02 ppm1 2.194 ppm2 8.866 CV 1 ASSI { 1782} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HN )) 3.400 1.500 1.500 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 2.137 ppm2 8.875 CV 1 ASSI { 1783} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HN )) 4.000 2.000 2.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.44107E-03 ppm1 2.294 ppm2 9.608 CV 1 ASSI { 1784} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.58204E-03 ppm1 2.414 ppm2 9.608 CV 1 ASSI { 1785} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 127 and name HN )) 3.700 1.700 1.700 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.61227E-03 ppm1 4.392 ppm2 8.458 CV 1 ASSI { 1787} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 126 and name HN )) 4.300 2.300 1.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.23665E-03 ppm1 4.107 ppm2 8.969 CV 1 ASSI { 1789} (( segid " " and resid 110 and name HA )) (( segid " " and resid 113 and name HN )) 3.100 1.200 1.200 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 3.799 ppm2 7.989 CV 1 ASSI { 1792} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HN )) 3.500 1.500 1.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.71901E-03 ppm1 3.617 ppm2 7.561 CV 1 ASSI { 1794} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HN )) 3.500 1.500 1.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.76132E-03 ppm1 3.617 ppm2 8.182 CV 1 ASSI { 1795} (( segid " " and resid 116 and name HA )) (( segid " " and resid 120 and name HN )) 4.100 2.100 1.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.37058E-03 ppm1 3.617 ppm2 7.810 CV 1 ASSI { 1796} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HB2 )) 2.900 1.000 1.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 3.617 ppm2 2.145 CV 1 OR { 1796} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HB3 )) ASSI { 1800} (( segid " " and resid 110 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.26082E-02 ppm1 3.799 ppm2 2.259 CV 1 ASSI { 1801} (( segid " " and resid 110 and name HA )) ( segid " " and resid 133 and name HD1%) 3.900 1.900 1.900 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.50653E-03 ppm1 3.799 ppm2 0.664 CV 1 ASSI { 1802} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HB3 )) 3.000 1.200 1.200 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 3.741 ppm2 2.239 CV 1 OR { 1802} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HB2 )) ASSI { 1803} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HG3 )) 3.700 1.700 1.700 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.67170E-03 ppm1 3.741 ppm2 2.465 CV 1 OR { 1803} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HG2 )) ASSI { 1804} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HN )) 3.400 1.400 1.400 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.76132E-03 ppm1 3.741 ppm2 7.254 CV 1 ASSI { 1806} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HN )) 3.800 1.800 1.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 3.741 ppm2 7.995 CV 1 ASSI { 1810} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 112 and name HN )) 3.600 1.600 1.600 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.63440E-03 ppm1 4.090 ppm2 7.490 CV 1 ASSI { 1819} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HN )) 3.100 1.200 1.200 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.12718E-02 ppm1 3.930 ppm2 7.574 CV 1 ASSI { 1820} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HN )) 3.600 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.76936E-03 ppm1 3.930 ppm2 7.776 CV 1 ASSI { 1821} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HN )) 3.200 1.300 1.300 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.18247E-02 ppm1 4.000 ppm2 7.834 CV 1 ASSI { 1822} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HN )) 3.400 1.500 1.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.74516E-03 ppm1 4.000 ppm2 8.515 CV 1 ASSI { 1824} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name HG12)) 3.800 1.800 1.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.93352E-03 ppm1 3.716 ppm2 1.209 CV 1 ASSI { 1826} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name HB )) 2.700 0.900 0.900 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.22960E-02 ppm1 3.716 ppm2 1.815 CV 1 ASSI { 1827} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG12)) 3.200 1.300 1.300 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.13968E-02 ppm1 3.716 ppm2 1.688 CV 1 ASSI { 1828} (( segid " " and resid 133 and name HA )) (( segid " " and resid 137 and name HN )) 3.400 1.500 1.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.78948E-03 ppm1 3.716 ppm2 7.829 CV 1 ASSI { 1829} (( segid " " and resid 133 and name HA )) (( segid " " and resid 134 and name HN )) 3.700 1.700 1.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.53170E-03 ppm1 3.716 ppm2 8.007 CV 1 ASSI { 1830} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HN )) 2.900 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 3.716 ppm2 8.312 CV 1 ASSI { 1831} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name HN )) 3.900 1.900 1.900 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.36454E-03 ppm1 3.716 ppm2 8.528 CV 1 ASSI { 1832} (( segid " " and resid 123 and name HA )) (( segid " " and resid 122 and name HG2 )) 3.200 3.200 2.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.51257E-03 ppm1 4.346 ppm2 2.243 CV 1 ASSI { 1833} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HN )) 3.200 1.300 1.300 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 4.346 ppm2 7.101 CV 1 ASSI { 1834} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HN )) 2.900 1.000 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 4.346 ppm2 8.607 CV 1 ASSI { 1835} (( segid " " and resid 126 and name HA )) (( segid " " and resid 129 and name HB2 )) 3.400 1.400 1.400 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.64147E-03 ppm1 3.922 ppm2 2.002 CV 1 ASSI { 1841} (( segid " " and resid 110 and name HB )) ( segid " " and resid 133 and name HD1%) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.16918E-02 ppm1 4.243 ppm2 0.683 CV 1 ASSI { 1843} (( segid " " and resid 110 and name HB )) (( segid " " and resid 133 and name HG13)) 4.000 2.000 2.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.37763E-03 ppm1 4.243 ppm2 1.407 CV 1 ASSI { 1845} (( segid " " and resid 110 and name HB )) (( segid " " and resid 113 and name HB3 )) 3.700 1.700 1.700 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 4.243 ppm2 1.815 CV 1 ASSI { 1849} (( segid " " and resid 110 and name HB )) (( segid " " and resid 111 and name HN )) 3.700 1.700 1.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.63440E-03 ppm1 4.243 ppm2 8.178 CV 1 ASSI { 1852} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HN )) 3.000 1.200 1.200 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 4.402 ppm2 7.789 CV 1 ASSI { 1855} (( segid " " and resid 154 and name HA )) (( segid " " and resid 157 and name HB3 )) 3.800 1.800 1.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 4.402 ppm2 2.589 CV 1 ASSI { 1857} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 129 and name HB3 )) 4.400 2.400 1.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.70090E-03 ppm1 4.077 ppm2 1.365 CV 1 OR { 1857} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 129 and name HB3 )) ASSI { 1858} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 129 and name HD1%) 3.300 1.300 1.300 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.23484E-02 ppm1 4.077 ppm2 0.890 CV 1 OR { 1858} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 129 and name HD1%) ASSI { 1859} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 129 and name HN )) 4.200 2.200 1.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.57600E-03 ppm1 4.077 ppm2 8.284 CV 1 OR { 1859} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 129 and name HN )) ASSI { 1860} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 127 and name HN )) 3.600 1.600 1.600 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.68579E-03 ppm1 4.077 ppm2 8.456 CV 1 OR { 1860} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 127 and name HN )) ASSI { 1865} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HD% ) 3.400 1.400 1.400 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 3.801 ppm2 6.531 CV 1 ASSI { 1866} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HD% ) 3.500 1.600 1.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.93956E-03 ppm1 3.537 ppm2 6.539 CV 1 ASSI { 1869} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HN )) 3.900 1.900 1.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.40079E-03 ppm1 3.801 ppm2 7.832 CV 1 ASSI { 1872} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HN )) 3.700 1.700 1.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.49041E-03 ppm1 3.537 ppm2 8.223 CV 1 ASSI { 1873} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HB )) 3.400 1.400 1.400 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.94358E-03 ppm1 4.083 ppm2 2.038 CV 1 ASSI { 1875} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG1%) 3.400 1.400 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.92042E-03 ppm1 4.083 ppm2 0.873 CV 1 ASSI { 1876} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HD% ) 3.300 1.400 1.400 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 4.083 ppm2 7.082 CV 1 ASSI { 1877} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HN )) 3.600 1.700 1.700 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.52063E-03 ppm1 4.083 ppm2 7.592 CV 1 ASSI { 1880} (( segid " " and resid 127 and name HA )) (( segid " " and resid 130 and name HB2 )) 3.000 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 4.127 ppm2 2.832 CV 1 ASSI { 1882} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HN )) 3.400 1.400 1.400 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.83581E-03 ppm1 4.149 ppm2 7.365 CV 1 ASSI { 1889} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HG3 )) 3.300 1.400 1.400 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 4.459 ppm2 2.361 CV 1 ASSI { 1894} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HD2 )) 3.200 1.300 1.300 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 4.387 ppm2 3.256 CV 1 OR { 1894} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HD3 )) ASSI { 1897} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HN )) 3.400 1.400 1.400 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 4.337 ppm2 7.380 CV 1 ASSI { 1898} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HN )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.27219E-02 ppm1 4.337 ppm2 7.995 CV 1 ASSI { 1899} (( segid " " and resid 134 and name HA )) (( segid " " and resid 136 and name HN )) 3.800 1.800 1.800 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.59112E-03 ppm1 4.337 ppm2 8.513 CV 1 ASSI { 1900} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HB )) 2.800 1.000 1.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 4.223 ppm2 2.199 CV 1 ASSI { 1902} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HG13)) 3.800 1.800 1.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.61629E-03 ppm1 4.223 ppm2 1.396 CV 1 ASSI { 1903} (( segid " " and resid 130 and name HA )) ( segid " " and resid 133 and name HG2%) 3.900 1.900 1.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.84489E-03 ppm1 4.223 ppm2 0.952 CV 1 ASSI { 1904} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 3.400 1.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.94962E-03 ppm1 4.223 ppm2 7.668 CV 1 ASSI { 1910} (( segid " " and resid 124 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.800 1.800 1.800 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.68475E-03 ppm1 4.457 ppm2 2.991 CV 1 ASSI { 1912} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HN )) 3.200 1.300 1.300 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.99595E-03 ppm1 4.457 ppm2 7.105 CV 1 ASSI { 1917} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.28347E-02 ppm1 4.195 ppm2 7.676 CV 1 ASSI { 1919} (( segid " " and resid 131 and name HA )) (( segid " " and resid 133 and name HN )) 3.700 1.700 1.700 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.56292E-03 ppm1 4.195 ppm2 8.296 CV 1 ASSI { 1924} (( segid " " and resid 131 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.800 1.000 1.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.26606E-02 ppm1 4.194 ppm2 2.761 CV 1 ASSI { 1926} (( segid " " and resid 118 and name HA )) ( segid " " and resid 129 and name HD1%) 2.800 1.000 1.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 4.130 ppm2 0.904 CV 1 OR { 1926} (( segid " " and resid 118 and name HA )) ( segid " " and resid 129 and name HD2%) ASSI { 1927} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HN )) 3.400 1.400 1.400 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 4.130 ppm2 7.542 CV 1 ASSI { 1929} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HN )) 2.800 1.000 1.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.28750E-02 ppm1 4.130 ppm2 7.908 CV 1 ASSI { 1930} (( segid " " and resid 107 and name HA )) (( segid " " and resid 145 and name HA )) 2.800 1.000 1.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 5.469 ppm2 5.091 CV 1 ASSI { 1931} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HG13)) 4.800 2.900 1.200 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.48236E-03 ppm1 5.469 ppm2 1.038 CV 1 ASSI { 1932} (( segid " " and resid 107 and name HA )) ( segid " " and resid 107 and name HD% ) 4.200 2.200 1.800 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.42999E-03 ppm1 5.469 ppm2 6.800 CV 1 ASSI { 1933} (( segid " " and resid 107 and name HA )) (( segid " " and resid 97 and name HZ )) 3.000 1.100 1.100 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 5.469 ppm2 7.052 CV 1 ASSI { 1934} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HN )) 3.400 1.400 1.400 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.74924E-03 ppm1 5.469 ppm2 7.303 CV 1 ASSI { 1935} (( segid " " and resid 107 and name HA )) (( segid " " and resid 146 and name HN )) 3.900 1.900 1.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.57502E-03 ppm1 5.469 ppm2 8.219 CV 1 ASSI { 1938} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.32114E-02 ppm1 4.102 ppm2 7.543 CV 1 ASSI { 1939} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HN )) 2.800 1.000 1.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.26524E-02 ppm1 4.103 ppm2 7.380 CV 1 ASSI { 1940} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HN )) 3.200 1.300 1.300 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 4.102 ppm2 7.782 CV 1 ASSI { 1943} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HN )) 3.700 1.700 1.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 4.589 ppm2 9.452 CV 1 ASSI { 1945} (( segid " " and resid 150 and name HA )) ( segid " " and resid 149 and name HD% ) 3.900 1.900 1.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.31822E-03 ppm1 3.857 ppm2 7.075 CV 1 ASSI { 1946} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HN )) 3.700 1.700 1.700 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.43805E-03 ppm1 3.857 ppm2 7.902 CV 1 ASSI { 1947} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) 3.300 1.400 1.400 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.93249E-03 ppm1 3.857 ppm2 8.429 CV 1 ASSI { 1948} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HN )) 2.900 1.000 1.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 3.954 ppm2 7.563 CV 1 ASSI { 1949} (( segid " " and resid 134 and name HA )) ( segid " " and resid 133 and name HG2%) 3.400 1.400 1.400 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.98589E-03 ppm1 4.337 ppm2 0.953 CV 1 ASSI { 1950} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 2.900 1.100 1.100 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.20271E-02 ppm1 4.030 ppm2 7.854 CV 1 ASSI { 1953} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HN )) 3.500 1.500 1.500 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.75528E-03 ppm1 4.010 ppm2 8.082 CV 1 ASSI { 1954} (( segid " " and resid 129 and name HA )) (( segid " " and resid 132 and name HB2 )) 2.700 0.900 0.900 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 4.016 ppm2 2.223 CV 1 ASSI { 1956} (( segid " " and resid 129 and name HA )) (( segid " " and resid 132 and name HN )) 3.200 1.300 1.300 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.11067E-02 ppm1 4.016 ppm2 8.031 CV 1 ASSI { 1958} (( segid " " and resid 153 and name HA )) ( segid " " and resid 152 and name HG1%) 3.200 1.300 1.300 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 4.365 ppm2 0.876 CV 1 ASSI { 1962} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HN )) 3.800 1.800 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.47229E-03 ppm1 3.898 ppm2 7.910 CV 1 ASSI { 1964} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB3 )) 3.200 1.200 1.200 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.12960E-02 ppm1 3.745 ppm2 1.755 CV 1 OR { 1964} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB2 )) ASSI { 1965} (( segid " " and resid 147 and name HA )) ( segid " " and resid 146 and name HD% ) 4.000 2.000 2.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.31721E-03 ppm1 3.745 ppm2 6.530 CV 1 ASSI { 1967} (( segid " " and resid 114 and name HA )) ( segid " " and resid 129 and name HD1%) 2.900 1.100 1.100 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.19244E-02 ppm1 3.741 ppm2 0.886 CV 1 OR { 1967} (( segid " " and resid 114 and name HA )) ( segid " " and resid 129 and name HD2%) ASSI { 1968} (( segid " " and resid 114 and name HA )) ( segid " " and resid 133 and name HD1%) 3.200 1.300 1.300 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 3.741 ppm2 0.679 CV 1 ASSI { 1969} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HN )) 3.900 1.900 1.900 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.35648E-03 ppm1 3.741 ppm2 7.251 CV 1 ASSI { 1971} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG2 )) 3.500 1.500 1.500 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 4.032 ppm2 1.697 CV 1 ASSI { 1972} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG3 )) 3.200 1.200 1.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 4.032 ppm2 1.524 CV 1 ASSI { 1975} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) 3.100 1.200 1.200 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.14249E-02 ppm1 4.224 ppm2 9.185 CV 1 ASSI { 1976} (( segid " " and resid 100 and name HA )) ( segid " " and resid 100 and name HD% ) 2.800 1.000 1.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.27743E-02 ppm1 4.366 ppm2 7.152 CV 1 ASSI { 1977} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HN )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.18932E-02 ppm1 4.366 ppm2 7.523 CV 1 ASSI { 1979} (( segid " " and resid 143 and name HA )) (( segid " " and resid 110 and name HN )) 3.600 1.600 1.600 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.50653E-03 ppm1 5.081 ppm2 8.359 CV 1 ASSI { 1981} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HG2 )) 2.800 1.000 1.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.22366E-02 ppm1 4.387 ppm2 1.947 CV 1 OR { 1981} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HG3 )) ASSI { 1985} (( segid " " and resid 113 and name HA )) ( segid " " and resid 108 and name HD1%) 3.300 1.400 1.400 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.96370E-03 ppm1 4.069 ppm2 0.512 CV 1 ASSI { 2002} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HN )) 3.400 1.500 1.500 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.87409E-03 ppm1 3.946 ppm2 7.574 CV 1 ASSI { 2004} (( segid " " and resid 98 and name HA )) (( segid " " and resid 101 and name HN )) 3.500 1.500 1.500 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.69585E-03 ppm1 3.946 ppm2 7.948 CV 1 ASSI { 2019} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB3 )) 1.800 0.400 0.400 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.13232E-01 ppm1 1.992 ppm2 2.326 CV 1 ASSI { 2022} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 144 and name HG1%) 3.000 1.100 1.100 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 1.992 ppm2 1.051 CV 1 ASSI { 2024} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 3.100 1.200 1.200 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 2.326 ppm2 4.054 CV 1 ASSI { 2026} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG3 )) 2.700 0.900 0.900 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.30331E-02 ppm1 2.326 ppm2 2.501 CV 1 OR { 2026} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG2 )) ASSI { 2027} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 2.800 1.000 1.000 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.23876E-02 ppm1 1.992 ppm2 2.501 CV 1 OR { 2027} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG3 )) ASSI { 2028} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 147 and name HN )) 3.700 1.700 1.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.16314E-02 ppm1 2.326 ppm2 8.325 CV 1 ASSI { 2031} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.30653E-02 ppm1 1.992 ppm2 8.325 CV 1 ASSI { 2033} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 145 and name HN )) 3.300 1.400 1.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.67872E-03 ppm1 1.992 ppm2 8.872 CV 1 ASSI { 406} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 2.300 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.61032E-02 ppm1 8.471 ppm2 3.204 CV 1 ASSI { 407} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.60583E-02 ppm1 8.471 ppm2 3.048 CV 1 ASSI { 413} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 8.389 ppm2 4.019 CV 1 ASSI { 414} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG3 )) 2.900 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 8.389 ppm2 2.513 CV 1 OR { 414} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG2 )) ASSI { 420} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.41365E-02 ppm1 7.547 ppm2 7.777 CV 1 ASSI { 421} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HN )) 2.700 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27370E-02 ppm1 7.547 ppm2 7.893 CV 1 ASSI { 423} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.58020E-02 ppm1 7.547 ppm2 1.998 CV 1 ASSI { 424} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HG2%) 2.700 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.52526E-02 ppm1 7.547 ppm2 0.982 CV 1 ASSI { 425} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HG1%) 2.900 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.24359E-02 ppm1 7.547 ppm2 0.849 CV 1 ASSI { 428} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.46148E-02 ppm1 9.141 ppm2 5.088 CV 1 ASSI { 429} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.200 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.93007E-03 ppm1 9.141 ppm2 4.544 CV 1 ASSI { 433} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HG2%) 2.800 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.26130E-02 ppm1 9.141 ppm2 0.779 CV 1 ASSI { 436} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.24270E-02 ppm1 8.539 ppm2 4.621 CV 1 ASSI { 437} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 3.200 1.300 1.300 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 8.539 ppm2 4.144 CV 1 ASSI { 438} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21790E-02 ppm1 8.539 ppm2 2.830 CV 1 ASSI { 439} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 2.900 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 8.539 ppm2 2.658 CV 1 ASSI { 440} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HB% ) 2.800 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.38265E-02 ppm1 8.539 ppm2 1.458 CV 1 ASSI { 442} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20195E-02 ppm1 9.239 ppm2 10.641 CV 1 ASSI { 447} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HN )) 3.000 1.100 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.13463E-02 ppm1 8.252 ppm2 7.971 CV 1 ASSI { 449} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.21081E-02 ppm1 8.252 ppm2 3.712 CV 1 ASSI { 451} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG2 )) 2.200 0.600 0.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.74315E-02 ppm1 8.252 ppm2 1.933 CV 1 OR { 451} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG3 )) ASSI { 454} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 8.252 ppm2 1.806 CV 1 ASSI { 455} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.100 1.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.18601E-02 ppm1 8.252 ppm2 1.615 CV 1 OR { 455} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) ASSI { 461} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA1 )) 3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 7.254 ppm2 3.615 CV 1 ASSI { 462} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB3 )) 3.600 1.700 1.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.77063E-03 ppm1 7.254 ppm2 2.333 CV 1 OR { 462} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB2 )) ASSI { 463} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 7.254 ppm2 10.740 CV 1 ASSI { 465} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HN )) 3.000 1.200 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.41277E-02 ppm1 7.825 ppm2 7.340 CV 1 ASSI { 466} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 2.600 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.36228E-02 ppm1 7.825 ppm2 8.547 CV 1 ASSI { 475} (( segid " " and resid 108 and name HN )) (( segid " " and resid 144 and name HN )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 8.910 ppm2 9.141 CV 1 ASSI { 476} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 8.910 ppm2 5.485 CV 1 ASSI { 479} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.200 1.300 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 8.910 ppm2 2.854 CV 1 ASSI { 480} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HG12)) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.12666E-02 ppm1 8.910 ppm2 1.331 CV 1 ASSI { 481} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HG13)) 3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.25244E-02 ppm1 8.910 ppm2 1.026 CV 1 ASSI { 483} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HN )) 2.600 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.39417E-02 ppm1 7.942 ppm2 7.784 CV 1 ASSI { 486} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.700 0.900 0.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.38442E-02 ppm1 7.942 ppm2 4.374 CV 1 OR { 486} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB )) ASSI { 487} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA2 )) 2.200 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13730E-01 ppm1 7.942 ppm2 3.992 CV 1 OR { 487} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA1 )) ASSI { 489} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.40833E-02 ppm1 7.908 ppm2 10.646 CV 1 ASSI { 493} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA1 )) 3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.18601E-02 ppm1 7.908 ppm2 3.779 CV 1 OR { 493} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA2 )) ASSI { 495} (( segid " " and resid 140 and name HN )) ( segid " " and resid 143 and name HG2%) 3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.25953E-02 ppm1 7.908 ppm2 0.783 CV 1 ASSI { 497} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.100 0.500 0.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.12728E-01 ppm1 9.538 ppm2 4.447 CV 1 ASSI { 498} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB3 )) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.30116E-02 ppm1 9.538 ppm2 4.083 CV 1 ASSI { 499} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.32153E-02 ppm1 9.538 ppm2 2.993 CV 1 ASSI { 500} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.900 1.900 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.15235E-02 ppm1 9.538 ppm2 2.602 CV 1 ASSI { 501} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB3 )) 3.600 1.600 1.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.11072E-02 ppm1 9.538 ppm2 1.316 CV 1 ASSI { 504} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 3.500 1.500 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.77063E-03 ppm1 9.754 ppm2 10.765 CV 1 ASSI { 505} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 3.300 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 9.754 ppm2 7.801 CV 1 ASSI { 506} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 3.600 1.600 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.66435E-03 ppm1 9.754 ppm2 4.503 CV 1 ASSI { 507} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.300 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 9.754 ppm2 2.322 CV 1 OR { 507} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB3 )) ASSI { 508} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 8.691 ppm2 5.037 CV 1 ASSI { 509} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.100 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 8.691 ppm2 4.520 CV 1 ASSI { 510} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 8.691 ppm2 4.089 CV 1 ASSI { 512} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.43757E-02 ppm1 8.692 ppm2 1.751 CV 1 ASSI { 522} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.75643E-02 ppm1 8.691 ppm2 4.780 CV 1 ASSI { 523} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG2%) 4.200 2.200 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.85920E-03 ppm1 8.691 ppm2 0.374 CV 1 ASSI { 530} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 2.500 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.41719E-02 ppm1 8.212 ppm2 5.109 CV 1 ASSI { 532} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 8.212 ppm2 3.041 CV 1 ASSI { 533} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB3 )) 3.000 1.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 8.212 ppm2 2.831 CV 1 ASSI { 534} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 8.212 ppm2 2.588 CV 1 OR { 534} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) ASSI { 535} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.600 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.32507E-02 ppm1 8.212 ppm2 2.459 CV 1 ASSI { 537} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.37999E-02 ppm1 8.171 ppm2 4.463 CV 1 ASSI { 538} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.38619E-02 ppm1 8.171 ppm2 4.172 CV 1 ASSI { 543} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.600 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.42162E-02 ppm1 8.428 ppm2 4.285 CV 1 ASSI { 548} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 3.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.53589E-02 ppm1 8.428 ppm2 1.632 CV 1 ASSI { 550} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.64837E-02 ppm1 8.435 ppm2 8.162 CV 1 ASSI { 554} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.34368E-02 ppm1 8.260 ppm2 4.467 CV 1 ASSI { 556} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) 2.100 0.500 0.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.17051E-01 ppm1 8.260 ppm2 2.210 CV 1 OR { 556} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) ASSI { 558} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 2.600 0.800 0.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.29319E-02 ppm1 7.529 ppm2 7.844 CV 1 ASSI { 559} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.97433E-03 ppm1 7.529 ppm2 4.174 CV 1 ASSI { 561} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB3 )) 2.900 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.23384E-02 ppm1 7.529 ppm2 1.898 CV 1 OR { 561} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG2 )) OR { 561} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 563} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG )) 2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.31533E-02 ppm1 7.529 ppm2 1.481 CV 1 ASSI { 564} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.34102E-02 ppm1 7.529 ppm2 1.348 CV 1 ASSI { 565} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD2%) 3.800 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.91231E-03 ppm1 7.529 ppm2 0.779 CV 1 OR { 565} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD1%) ASSI { 570} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.10275E-02 ppm1 7.766 ppm2 1.836 CV 1 ASSI { 571} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.400 1.500 1.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 7.766 ppm2 1.665 CV 1 ASSI { 572} (( segid " " and resid 154 and name HN )) ( segid " " and resid 154 and name HG2%) 2.600 0.800 0.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.47211E-02 ppm1 7.766 ppm2 1.151 CV 1 ASSI { 573} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 8.935 ppm2 5.105 CV 1 ASSI { 574} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.11028E-01 ppm1 8.935 ppm2 4.549 CV 1 ASSI { 575} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15767E-02 ppm1 8.935 ppm2 3.047 CV 1 ASSI { 576} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB3 )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.25953E-02 ppm1 8.935 ppm2 2.827 CV 1 ASSI { 577} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB3 )) 3.000 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 8.935 ppm2 2.345 CV 1 ASSI { 579} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HG1%) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.22410E-02 ppm1 8.935 ppm2 1.062 CV 1 ASSI { 580} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HG2%) 4.200 2.200 1.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.87691E-03 ppm1 8.935 ppm2 0.796 CV 1 ASSI { 582} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HN )) 2.400 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.60940E-02 ppm1 7.903 ppm2 8.544 CV 1 ASSI { 583} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 3.400 1.400 1.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.26573E-02 ppm1 7.903 ppm2 9.244 CV 1 ASSI { 588} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.81489E-03 ppm1 7.750 ppm2 8.934 CV 1 ASSI { 589} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.600 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.36051E-02 ppm1 7.750 ppm2 4.727 CV 1 ASSI { 591} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.500 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.44643E-02 ppm1 7.750 ppm2 2.909 CV 1 ASSI { 592} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB3 )) 2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.37025E-02 ppm1 7.750 ppm2 2.378 CV 1 ASSI { 604} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.39594E-02 ppm1 7.831 ppm2 8.537 CV 1 ASSI { 605} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.69619E-02 ppm1 7.831 ppm2 5.100 CV 1 ASSI { 606} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.600 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.43048E-02 ppm1 7.831 ppm2 4.151 CV 1 ASSI { 607} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HB% ) 2.300 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11240E-01 ppm1 7.831 ppm2 1.449 CV 1 ASSI { 60} (( segid " " and resid 116 and name HN )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 8.074 ppm2 4.030 CV 1 OR { 60} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) ASSI { 63} (( segid " " and resid 116 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.300 1.400 1.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 8.074 ppm2 2.127 CV 1 OR { 63} (( segid " " and resid 116 and name HN )) (( segid " " and resid 119 and name HB2 )) OR { 63} (( segid " " and resid 116 and name HN )) (( segid " " and resid 112 and name HB )) ASSI { 71} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.60693E-02 ppm1 7.675 ppm2 4.205 CV 1 OR { 71} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 97} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.200 1.300 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 8.468 ppm2 4.393 CV 1 OR { 97} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HA )) ASSI { 105} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.37263E-02 ppm1 8.010 ppm2 8.340 CV 1 OR { 105} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) ASSI { 109} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.56474E-02 ppm1 8.010 ppm2 4.128 CV 1 OR { 109} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) ASSI { 126} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 7.271 ppm2 3.749 CV 1 OR { 126} (( segid " " and resid 115 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 129} (( segid " " and resid 115 and name HN )) (( segid " " and resid 112 and name HB )) 3.200 3.200 2.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.19717E-02 ppm1 7.271 ppm2 2.128 CV 1 OR { 129} (( segid " " and resid 115 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 135} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.600 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 7.796 ppm2 1.815 CV 1 OR { 135} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB )) ASSI { 140} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.31648E-02 ppm1 7.523 ppm2 7.934 CV 1 OR { 140} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) ASSI { 145} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.500 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.84121E-03 ppm1 7.523 ppm2 3.966 CV 1 OR { 145} (( segid " " and resid 119 and name HN )) (( segid " " and resid 115 and name HA )) OR { 145} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 146} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.46760E-02 ppm1 7.553 ppm2 4.112 CV 1 OR { 146} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 152} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 7.523 ppm2 1.638 CV 1 OR { 152} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HB2 )) ASSI { 164} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.46061E-02 ppm1 8.640 ppm2 7.828 CV 1 OR { 164} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) ASSI { 175} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.19933E-02 ppm1 8.970 ppm2 4.085 CV 1 OR { 175} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 175} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB3 )) ASSI { 186} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.13185E-02 ppm1 7.104 ppm2 4.461 CV 1 OR { 186} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 203} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16245E-02 ppm1 7.981 ppm2 4.127 CV 1 OR { 203} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HB3 )) ASSI { 207} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB3 )) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.53726E-02 ppm1 7.981 ppm2 2.017 CV 1 OR { 207} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB2 )) ASSI { 213} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HG3 )) 2.800 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.33575E-02 ppm1 8.884 ppm2 2.377 CV 1 OR { 213} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB3 )) ASSI { 230} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HA )) 3.400 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 7.889 ppm2 4.054 CV 1 OR { 230} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) ASSI { 231} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA2 )) 2.300 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.76574E-02 ppm1 7.889 ppm2 3.885 CV 1 OR { 231} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 234} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA2 )) 2.300 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.97474E-02 ppm1 8.313 ppm2 4.007 CV 1 OR { 234} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA1 )) OR { 234} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA1 )) ASSI { 247} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB )) 2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.72694E-02 ppm1 7.937 ppm2 3.852 CV 1 OR { 247} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA1 )) OR { 247} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA2 )) ASSI { 276} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.27863E-02 ppm1 8.322 ppm2 8.035 CV 1 OR { 276} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) OR { 276} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) ASSI { 277} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 3.500 1.600 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.70861E-03 ppm1 8.322 ppm2 4.180 CV 1 OR { 277} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) OR { 277} (( segid " " and resid 133 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 279} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.200 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.73372E-02 ppm1 8.322 ppm2 2.211 CV 1 OR { 279} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB )) ASSI { 280} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG12)) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.33286E-02 ppm1 8.322 ppm2 1.698 CV 1 OR { 280} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG2 )) ASSI { 282} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 8.353 ppm2 4.230 CV 1 OR { 282} (( segid " " and resid 133 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 283} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.63199E-02 ppm1 8.353 ppm2 2.840 CV 1 OR { 283} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HB3 )) ASSI { 285} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.600 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.45869E-02 ppm1 8.353 ppm2 2.013 CV 1 OR { 285} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) OR { 285} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) ASSI { 287} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.700 1.700 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.77132E-03 ppm1 8.347 ppm2 2.658 CV 1 OR { 287} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB3 )) ASSI { 306} (( segid " " and resid 113 and name HN )) (( segid " " and resid 110 and name HA )) 3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 7.984 ppm2 3.784 CV 1 OR { 306} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 317} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA )) 3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.44350E-03 ppm1 8.432 ppm2 4.053 CV 1 OR { 317} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 321} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.47435E-02 ppm1 8.432 ppm2 1.684 CV 1 OR { 321} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HB% ) ASSI { 339} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG12)) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.15306E-02 ppm1 8.345 ppm2 1.685 CV 1 OR { 339} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB3 )) ASSI { 346} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.400 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 7.771 ppm2 2.042 CV 1 OR { 346} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG3 )) OR { 346} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) ASSI { 347} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.300 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.83397E-03 ppm1 7.771 ppm2 1.844 CV 1 OR { 347} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 356} (( segid " " and resid 117 and name HN )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.35962E-02 ppm1 8.192 ppm2 4.093 CV 1 OR { 356} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 359} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB3 )) 2.200 2.200 3.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.11283E-01 ppm1 8.192 ppm2 2.221 CV 1 OR { 359} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB2 )) OR { 359} (( segid " " and resid 117 and name HN )) (( segid " " and resid 113 and name HB2 )) ASSI { 360} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG )) 1.900 0.500 0.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15337E-01 ppm1 8.192 ppm2 1.878 CV 1 OR { 360} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB )) ASSI { 362} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HD1%) 3.000 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.37553E-02 ppm1 8.192 ppm2 0.828 CV 1 OR { 362} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HG2%) OR { 362} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HD2%) ASSI { 388} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12871E-02 ppm1 7.945 ppm2 3.947 CV 1 OR { 388} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 396} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.71441E-02 ppm1 7.945 ppm2 2.563 CV 1 OR { 396} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 548} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HG3 )) 2.300 0.700 0.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.66423E-02 ppm1 1.928 ppm2 1.695 CV 1 OR { 548} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name HG2 )) OR { 548} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG3 )) ASSI { 933} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE3 )) 2.800 1.000 1.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 1.686 ppm2 3.084 CV 1 OR { 933} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE2 )) OR { 933} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE3 )) OR { 933} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HD3 )) OR { 933} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE2 )) ASSI { 948} (( segid " " and resid 122 and name HG2 )) (( segid " " and resid 122 and name HG3 )) 1.500 0.300 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.45497E-01 ppm1 2.246 ppm2 2.395 CV 1 OR { 948} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 135 and name HG2 )) ASSI { 976} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HA )) 2.900 1.100 1.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 2.410 ppm2 4.122 CV 1 OR { 976} (( segid " " and resid 127 and name HG3 )) (( segid " " and resid 127 and name HA )) ASSI { 984} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.56474E-02 ppm1 2.113 ppm2 4.126 CV 1 OR { 984} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name HA )) OR { 984} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) ASSI { 1025} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 144 and name HG2%) 2.300 0.700 0.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.89352E-02 ppm1 1.922 ppm2 0.840 CV 1 OR { 1025} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 136 and name HD1%) OR { 1025} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 152 and name HG1%) ASSI { 1032} (( segid " " and resid 97 and name HZ )) (( segid " " and resid 108 and name HG13)) 4.700 2.800 1.300 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.37662E-03 ppm1 7.054 ppm2 1.029 CV 1 OR { 1032} (( segid " " and resid 97 and name HZ )) ( segid " " and resid 144 and name HG1%) ASSI { 1037} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 116 and name HG2%) 3.400 1.400 1.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.10151E-02 ppm1 7.289 ppm2 0.831 CV 1 OR { 1037} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 93 and name HD2%) OR { 1037} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 93 and name HD1%) ASSI { 1046} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 150 and name HN )) 3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.73108E-03 ppm1 7.079 ppm2 8.431 CV 1 OR { 1046} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HN )) ASSI { 1053} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 93 and name HD1%) 3.600 1.600 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.95669E-03 ppm1 7.079 ppm2 0.840 CV 1 OR { 1053} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 116 and name HG2%) OR { 1053} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 152 and name HG1%) OR { 1053} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 93 and name HD2%) ASSI { 1067} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 93 and name HB2 )) 4.000 2.000 2.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.46726E-03 ppm1 7.361 ppm2 2.041 CV 1 OR { 1067} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 153 and name HG2 )) ASSI { 1068} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 153 and name HB3 )) 3.600 1.600 1.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.70188E-03 ppm1 7.361 ppm2 1.874 CV 1 OR { 1068} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 153 and name HE% ) OR { 1068} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 116 and name HB )) ASSI { 1070} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 116 and name HG2%) 3.100 1.200 1.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 7.361 ppm2 0.837 CV 1 OR { 1070} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 93 and name HD1%) ASSI { 1091} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.000 2.000 2.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.11450E-02 ppm1 6.802 ppm2 3.042 CV 1 OR { 1091} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 100 and name HB2 )) ASSI { 1093} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 105 and name HB3 )) 3.200 3.200 2.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.74315E-03 ppm1 6.802 ppm2 2.300 CV 1 OR { 1093} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 119 and name HG2 )) ASSI { 1106} ( segid " " and resid 100 and name HD% ) ( segid " " and resid 96 and name HB% ) 3.500 1.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.64147E-03 ppm1 7.140 ppm2 1.652 CV 1 OR { 1106} ( segid " " and resid 100 and name HD% ) (( segid " " and resid 99 and name HB2 )) ASSI { 1109} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 145 and name HA )) 4.100 2.100 1.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.40885E-03 ppm1 6.781 ppm2 5.076 CV 1 OR { 1109} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 143 and name HA )) ASSI { 1136} (( segid " " and resid 156 and name HA2 )) (( segid " " and resid 156 and name HN )) 2.900 1.100 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.22990E-02 ppm1 3.991 ppm2 8.306 CV 1 OR { 1136} (( segid " " and resid 155 and name HA1 )) (( segid " " and resid 156 and name HN )) OR { 1136} (( segid " " and resid 156 and name HA1 )) (( segid " " and resid 156 and name HN )) OR { 1136} (( segid " " and resid 155 and name HA2 )) (( segid " " and resid 156 and name HN )) OR { 1136} (( segid " " and resid 156 and name HA1 )) (( segid " " and resid 157 and name HN )) ASSI { 1150} (( segid " " and resid 140 and name HA1 )) (( segid " " and resid 140 and name HN )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.47652E-02 ppm1 3.844 ppm2 7.925 CV 1 OR { 1150} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 140 and name HN )) OR { 1150} (( segid " " and resid 151 and name HA2 )) (( segid " " and resid 151 and name HN )) ASSI { 1174} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 136 and name HB )) 2.900 1.100 1.100 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 0.667 ppm2 1.841 CV 1 OR { 1174} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 113 and name HB3 )) ASSI { 1185} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 100 and name HB2 )) 3.900 1.900 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.47430E-03 ppm1 0.504 ppm2 3.045 CV 1 OR { 1185} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 149 and name HB3 )) ASSI { 1186} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 97 and name HA )) 3.900 1.900 1.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.43201E-03 ppm1 0.504 ppm2 3.810 CV 1 OR { 1186} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 110 and name HA )) ASSI { 1187} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 113 and name HA )) 3.300 1.400 1.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.10936E-02 ppm1 0.504 ppm2 4.067 CV 1 OR { 1187} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 109 and name HB3 )) ASSI { 1190} ( segid " " and resid 108 and name HD1%) ( segid " " and resid 149 and name HD% ) 3.600 1.600 1.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.94054E-03 ppm1 0.504 ppm2 7.055 CV 1 OR { 1190} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 97 and name HZ )) ASSI { 1204} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.14169E-02 ppm1 0.827 ppm2 2.033 CV 1 OR { 1204} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 152 and name HB )) ASSI { 1205} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 148 and name HB3 )) 3.600 1.600 1.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.45517E-03 ppm1 0.827 ppm2 2.364 CV 1 OR { 1205} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 113 and name HG3 )) ASSI { 1206} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 113 and name HG2 )) 3.000 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.80259E-03 ppm1 0.827 ppm2 2.488 CV 1 OR { 1206} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 148 and name HG3 )) OR { 1206} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 148 and name HG2 )) ASSI { 1210} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 100 and name HB3 )) 3.000 1.100 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 0.441 ppm2 2.566 CV 1 OR { 1210} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 101 and name HB2 )) ASSI { 1211} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 100 and name HB2 )) 3.300 1.300 1.300 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 0.441 ppm2 3.029 CV 1 OR { 1211} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 1216} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 101 and name HN )) 3.600 1.700 1.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.50250E-03 ppm1 0.441 ppm2 7.945 CV 1 OR { 1216} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 113 and name HN )) ASSI { 1227} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 148 and name HB2 )) 3.500 1.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.13846E-02 ppm1 0.932 ppm2 2.015 CV 1 OR { 1227} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 152 and name HB )) OR { 1227} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 144 and name HB )) OR { 1227} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 132 and name HB3 )) ASSI { 1229} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 148 and name HB3 )) 3.400 1.400 1.400 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.89725E-03 ppm1 0.932 ppm2 2.349 CV 1 OR { 1229} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 113 and name HG3 )) ASSI { 1230} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 148 and name HG2 )) 3.600 1.600 1.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.75223E-03 ppm1 0.932 ppm2 2.485 CV 1 OR { 1230} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 148 and name HG3 )) OR { 1230} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 113 and name HG2 )) ASSI { 1235} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 137 and name HN )) 3.100 1.200 1.200 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 0.932 ppm2 7.831 CV 1 OR { 1235} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 137 and name HN )) ASSI { 1244} ( segid " " and resid 131 and name HB% ) (( segid " " and resid 130 and name HN )) 4.700 2.800 1.300 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.38166E-03 ppm1 1.543 ppm2 8.340 CV 1 OR { 1244} ( segid " " and resid 131 and name HB% ) (( segid " " and resid 133 and name HN )) ASSI { 1246} ( segid " " and resid 118 and name HB% ) (( segid " " and resid 119 and name HB3 )) 3.800 1.800 1.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.92444E-03 ppm1 1.449 ppm2 2.135 CV 1 OR { 1246} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 137 and name HB2 )) OR { 1246} ( segid " " and resid 118 and name HB% ) (( segid " " and resid 119 and name HB2 )) ASSI { 1253} ( segid " " and resid 96 and name HB% ) ( segid " " and resid 116 and name HG2%) 2.900 1.100 1.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.27260E-02 ppm1 1.667 ppm2 0.829 CV 1 OR { 1253} ( segid " " and resid 96 and name HB% ) ( segid " " and resid 93 and name HD2%) OR { 1253} ( segid " " and resid 96 and name HB% ) ( segid " " and resid 99 and name HD2%) ASSI { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 116 and name HG2%) 2.100 0.500 0.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.72079E-02 ppm1 1.862 ppm2 0.848 CV 1 OR { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 120 and name HD2%) OR { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 93 and name HD2%) OR { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 120 and name HD1%) OR { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 152 and name HG1%) OR { 1260} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 117 and name HD2%) ASSI { 1282} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 149 and name HA )) 3.200 1.300 1.300 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 1.922 ppm2 4.072 CV 1 OR { 1282} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HA )) ASSI { 1286} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 114 and name HN )) 3.900 1.900 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.55285E-03 ppm1 1.922 ppm2 8.195 CV 1 OR { 1286} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 117 and name HN )) ASSI { 1292} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 115 and name HB3 )) 3.800 1.800 1.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.61629E-03 ppm1 0.710 ppm2 2.233 CV 1 OR { 1292} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 115 and name HB2 )) OR { 1292} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 113 and name HB2 )) ASSI { 1304} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 148 and name HB3 )) 3.400 1.400 1.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.99192E-03 ppm1 0.815 ppm2 2.358 CV 1 OR { 1304} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 113 and name HG3 )) ASSI { 1305} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 113 and name HG2 )) 3.200 1.300 1.300 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 0.815 ppm2 2.470 CV 1 OR { 1305} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 148 and name HG3 )) OR { 1305} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 148 and name HG2 )) ASSI { 1306} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 149 and name HB3 )) 4.600 2.600 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.44107E-03 ppm1 0.815 ppm2 3.064 CV 1 OR { 1306} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 1308} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 143 and name HA )) 3.700 1.700 1.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.78046E-03 ppm1 0.815 ppm2 5.070 CV 1 OR { 1308} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 137 and name HA )) ASSI { 1310} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 145 and name HN )) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.78046E-03 ppm1 0.815 ppm2 8.855 CV 1 OR { 1310} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 108 and name HN )) ASSI { 1324} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 145 and name HA )) 4.000 2.000 2.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.51559E-03 ppm1 1.040 ppm2 5.089 CV 1 OR { 1324} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 143 and name HA )) ASSI { 1326} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 149 and name HN )) 3.400 1.500 1.500 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.97479E-03 ppm1 1.040 ppm2 8.413 CV 1 OR { 1326} ( segid " " and resid 144 and name HG1%) (( segid " " and resid 148 and name HN )) ASSI { 1341} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 122 and name HG3 )) 3.300 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 1.253 ppm2 2.378 CV 1 OR { 1341} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 121 and name HB3 )) ASSI { 1349} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 113 and name HG2 )) 3.300 1.400 1.400 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.43604E-03 ppm1 0.995 ppm2 2.488 CV 1 OR { 1349} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 148 and name HG3 )) OR { 1349} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 132 and name HG3 )) ASSI { 1354} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 132 and name HE% ) 3.000 1.100 1.100 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 0.825 ppm2 2.059 CV 1 OR { 1354} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 132 and name HE% ) ASSI { 1374} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 119 and name HB2 )) 2.900 2.900 3.100 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 0.875 ppm2 2.141 CV 1 OR { 1374} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 119 and name HB3 )) OR { 1374} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 95 and name HB3 )) OR { 1374} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 122 and name HB2 )) OR { 1374} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 150 and name HG3 )) ASSI { 1376} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 121 and name HN )) 4.000 2.000 2.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.69383E-03 ppm1 0.875 ppm2 7.794 CV 1 OR { 1376} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HN )) ASSI { 1385} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 143 and name HA )) 3.500 1.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 1.101 ppm2 5.079 CV 1 OR { 1385} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 109 and name HA )) ASSI { 1396} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 132 and name HB2 )) 4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.45416E-03 ppm1 0.905 ppm2 2.189 CV 1 OR { 1396} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 122 and name HB3 )) ASSI { 1400} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.32023E-03 ppm1 0.905 ppm2 4.458 CV 1 OR { 1400} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 122 and name HA )) ASSI { 1402} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 117 and name HN )) 3.300 1.400 1.400 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.44510E-03 ppm1 0.905 ppm2 8.194 CV 1 OR { 1402} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 114 and name HN )) ASSI { 1408} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 94 and name HA )) 3.000 3.000 3.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.16797E-02 ppm1 0.825 ppm2 4.049 CV 1 OR { 1408} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 149 and name HA )) OR { 1408} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 155 and name HA1 )) OR { 1408} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 155 and name HA2 )) ASSI { 1414} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 121 and name HN )) 4.300 2.300 1.700 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.59618E-03 ppm1 0.847 ppm2 7.770 CV 1 OR { 1414} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HN )) ASSI { 1426} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HG )) 2.300 0.700 0.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.59060E-02 ppm1 0.880 ppm2 1.660 CV 1 OR { 1426} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB2 )) ASSI { 1433} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 113 and name HG2 )) 3.400 1.500 1.500 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.84184E-03 ppm1 0.842 ppm2 2.469 CV 1 OR { 1433} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 132 and name HG3 )) ASSI { 1436} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 132 and name HB2 )) 3.500 1.500 1.500 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 0.842 ppm2 2.228 CV 1 OR { 1436} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 113 and name HB2 )) ASSI { 1438} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 123 and name HG2%) 2.900 1.000 1.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.16938E-02 ppm1 0.938 ppm2 1.278 CV 1 OR { 1438} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 117 and name HB3 )) ASSI { 1444} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 118 and name HA )) 3.900 1.900 1.900 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.70493E-03 ppm1 0.938 ppm2 4.126 CV 1 OR { 1444} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 125 and name HB3 )) ASSI { 1464} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 96 and name HA )) 3.900 1.900 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.75827E-03 ppm1 1.366 ppm2 4.204 CV 1 OR { 1464} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 130 and name HA )) ASSI { 1479} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 128 and name HB2 )) 3.600 1.600 1.600 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.72303E-03 ppm1 1.363 ppm2 2.960 CV 1 OR { 1479} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 128 and name HB2 )) ASSI { 1481} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 128 and name HB2 )) 3.500 1.600 1.600 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.60422E-03 ppm1 1.825 ppm2 2.960 CV 1 OR { 1481} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 121 and name HB2 )) ASSI { 1485} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 128 and name HN )) 4.900 3.000 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.33231E-03 ppm1 1.363 ppm2 7.962 CV 1 OR { 1485} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 128 and name HN )) ASSI { 1494} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 121 and name HN )) 2.600 0.800 0.800 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.31832E-02 ppm1 1.799 ppm2 7.777 CV 1 OR { 1494} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HN )) ASSI { 1495} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HN )) 2.900 1.000 1.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.601 ppm2 7.777 CV 1 OR { 1495} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 121 and name HN )) ASSI { 1498} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 147 and name HN )) 3.800 1.800 1.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 2.831 ppm2 8.349 CV 1 OR { 1498} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 148 and name HN )) ASSI { 1506} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 124 and name HD2%) 4.000 2.000 2.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.45416E-03 ppm1 2.983 ppm2 0.922 CV 1 OR { 1506} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 129 and name HD2%) ASSI { 1508} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 135 and name HG3 )) 4.300 2.300 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.35245E-03 ppm1 2.636 ppm2 2.231 CV 1 OR { 1508} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 133 and name HB )) ASSI { 1509} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 129 and name HB2 )) 4.600 2.600 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.34943E-03 ppm1 2.636 ppm2 2.007 CV 1 OR { 1509} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 132 and name HB3 )) ASSI { 1511} (( segid " " and resid 128 and name HB3 )) ( segid " " and resid 131 and name HB% ) 3.900 1.900 1.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.39676E-03 ppm1 2.636 ppm2 1.526 CV 1 OR { 1511} (( segid " " and resid 134 and name HB3 )) ( segid " " and resid 131 and name HB% ) ASSI { 1513} (( segid " " and resid 128 and name HB3 )) ( segid " " and resid 124 and name HD2%) 3.700 1.700 1.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.73309E-03 ppm1 2.636 ppm2 0.922 CV 1 OR { 1513} (( segid " " and resid 134 and name HB3 )) ( segid " " and resid 133 and name HG2%) OR { 1513} (( segid " " and resid 128 and name HB3 )) ( segid " " and resid 129 and name HD2%) ASSI { 1519} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HN )) 3.000 1.100 1.100 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.27260E-02 ppm1 2.636 ppm2 7.988 CV 1 OR { 1519} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HN )) ASSI { 1523} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 3.800 1.800 1.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.66463E-03 ppm1 2.933 ppm2 1.842 CV 1 OR { 1523} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 124 and name HB2 )) ASSI { 1527} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 120 and name HB3 )) 4.100 2.100 1.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.50854E-03 ppm1 2.389 ppm2 1.842 CV 1 OR { 1527} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 124 and name HB2 )) ASSI { 1537} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 143 and name HG2%) 4.400 2.400 1.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.43201E-03 ppm1 2.854 ppm2 0.838 CV 1 OR { 1537} (( segid " " and resid 139 and name HB3 )) ( segid " " and resid 143 and name HG2%) ASSI { 1540} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 143 and name HA )) 3.700 1.700 1.700 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.10151E-02 ppm1 3.046 ppm2 5.075 CV 1 OR { 1540} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 145 and name HA )) ASSI { 1542} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 143 and name HB )) 3.200 1.300 1.300 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 2.854 ppm2 3.861 CV 1 OR { 1542} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 140 and name HA2 )) ASSI { 1543} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 145 and name HA )) 3.500 1.500 1.500 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 2.854 ppm2 5.075 CV 1 OR { 1543} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 143 and name HA )) ASSI { 1548} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 133 and name HB )) 4.200 2.200 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.34943E-03 ppm1 2.753 ppm2 2.213 CV 1 OR { 1548} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 135 and name HG3 )) ASSI { 1558} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 127 and name HA )) 3.400 1.500 1.500 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.11792E-02 ppm1 2.826 ppm2 4.148 CV 1 OR { 1558} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 138 and name HA )) ASSI { 1565} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 133 and name HG2%) 3.200 1.200 1.200 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.13262E-02 ppm1 2.842 ppm2 0.944 CV 1 OR { 1565} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 136 and name HG2%) ASSI { 1566} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 144 and name HG2%) 4.000 2.000 2.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.47531E-03 ppm1 2.842 ppm2 0.838 CV 1 OR { 1566} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 143 and name HG2%) ASSI { 1568} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 133 and name HG2%) 3.300 1.400 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.84489E-03 ppm1 2.148 ppm2 0.944 CV 1 OR { 1568} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 136 and name HG2%) ASSI { 1576} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 152 and name HG1%) 4.200 2.200 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.48337E-03 ppm1 3.068 ppm2 0.838 CV 1 OR { 1576} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 136 and name HD1%) OR { 1576} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 116 and name HG2%) OR { 1576} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 93 and name HD1%) ASSI { 1578} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 146 and name HD% ) 3.400 1.500 1.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35044E-03 ppm1 3.195 ppm2 6.522 CV 1 OR { 1578} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 97 and name HD% ) ASSI { 1580} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HN )) 2.800 1.000 1.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.25115E-02 ppm1 3.195 ppm2 8.426 CV 1 OR { 1580} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 150 and name HN )) ASSI { 1581} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 149 and name HN )) 2.700 0.900 0.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 3.068 ppm2 8.431 CV 1 OR { 1581} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 150 and name HN )) ASSI { 1583} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 108 and name HG2%) 3.200 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 3.019 ppm2 0.444 CV 1 OR { 1583} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 116 and name HD1%) ASSI { 1597} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 97 and name HA )) 4.300 2.300 1.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.55688E-03 ppm1 2.559 ppm2 3.811 CV 1 OR { 1597} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 97 and name HA )) ASSI { 1639} (( segid " " and resid 114 and name HD3 )) ( segid " " and resid 133 and name HG2%) 3.900 1.900 1.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.52969E-03 ppm1 3.254 ppm2 0.914 CV 1 OR { 1639} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 133 and name HG2%) OR { 1639} (( segid " " and resid 114 and name HD3 )) ( segid " " and resid 129 and name HD1%) OR { 1639} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 129 and name HD1%) ASSI { 1652} (( segid " " and resid 133 and name HB )) (( segid " " and resid 130 and name HA )) 3.300 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 2.198 ppm2 4.233 CV 1 OR { 1652} (( segid " " and resid 133 and name HB )) (( segid " " and resid 110 and name HB )) ASSI { 1658} (( segid " " and resid 144 and name HB )) (( segid " " and resid 108 and name HN )) 3.600 1.600 1.600 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.82270E-03 ppm1 2.049 ppm2 8.876 CV 1 OR { 1658} (( segid " " and resid 144 and name HB )) (( segid " " and resid 145 and name HN )) ASSI { 1662} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 117 and name HD2%) 3.300 1.400 1.400 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.14028E-02 ppm1 2.218 ppm2 0.845 CV 1 OR { 1662} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 136 and name HD1%) OR { 1662} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 117 and name HD1%) ASSI { 1663} (( segid " " and resid 132 and name HB3 )) ( segid " " and resid 136 and name HD1%) 2.900 1.000 1.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 2.033 ppm2 0.849 CV 1 OR { 1663} (( segid " " and resid 132 and name HB3 )) ( segid " " and resid 117 and name HD2%) OR { 1663} (( segid " " and resid 132 and name HB3 )) ( segid " " and resid 117 and name HD1%) ASSI { 1668} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 144 and name HG2%) 3.200 1.300 1.300 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.94657E-03 ppm1 2.258 ppm2 0.827 CV 1 OR { 1668} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1669} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 133 and name HD1%) 4.000 2.000 2.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.87915E-03 ppm1 2.258 ppm2 0.679 CV 1 OR { 1669} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 112 and name HG1%) ASSI { 1671} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 144 and name HG2%) 3.500 1.600 1.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 1.817 ppm2 0.827 CV 1 OR { 1671} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 117 and name HD1%) OR { 1671} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 117 and name HD2%) ASSI { 1676} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 110 and name HG2%) 4.000 2.000 2.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.39374E-03 ppm1 2.258 ppm2 1.072 CV 1 OR { 1676} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 144 and name HG1%) ASSI { 1681} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 113 and name HE% ) 3.400 1.500 1.500 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 2.467 ppm2 1.904 CV 1 OR { 1681} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 116 and name HB )) ASSI { 1683} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 117 and name HD2%) 3.100 1.200 1.200 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 2.467 ppm2 0.830 CV 1 OR { 1683} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 117 and name HD1%) OR { 1683} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 144 and name HG2%) OR { 1683} (( segid " " and resid 132 and name HG3 )) ( segid " " and resid 117 and name HD1%) ASSI { 1686} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 117 and name HD1%) 3.000 1.100 1.100 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 2.351 ppm2 0.830 CV 1 OR { 1686} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 117 and name HD2%) OR { 1686} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 144 and name HG2%) ASSI { 1691} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 136 and name HD1%) 4.100 2.100 1.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.59112E-03 ppm1 2.816 ppm2 0.848 CV 1 OR { 1691} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 117 and name HD2%) OR { 1691} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 117 and name HD1%) ASSI { 1692} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 117 and name HD2%) 3.400 1.500 1.500 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 2.496 ppm2 0.848 CV 1 OR { 1692} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 117 and name HD1%) OR { 1692} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 136 and name HD1%) OR { 1692} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 144 and name HG2%) OR { 1692} (( segid " " and resid 132 and name HG3 )) ( segid " " and resid 117 and name HD1%) ASSI { 1698} (( segid " " and resid 112 and name HB )) (( segid " " and resid 113 and name HA )) 4.000 2.100 2.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.42395E-03 ppm1 2.093 ppm2 4.097 CV 1 OR { 1698} (( segid " " and resid 112 and name HB )) (( segid " " and resid 109 and name HB3 )) ASSI { 1703} (( segid " " and resid 153 and name HB3 )) ( segid " " and resid 93 and name HD1%) 3.300 1.400 1.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 1.860 ppm2 0.852 CV 1 OR { 1703} (( segid " " and resid 153 and name HB3 )) ( segid " " and resid 152 and name HG1%) ASSI { 1704} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 93 and name HD1%) 3.300 1.400 1.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.98083E-03 ppm1 1.710 ppm2 0.852 CV 1 OR { 1704} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 152 and name HG1%) ASSI { 1705} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.36655E-03 ppm1 1.860 ppm2 3.855 CV 1 OR { 1705} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 104 and name HA2 )) ASSI { 1709} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HN )) 3.400 1.500 1.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.84184E-03 ppm1 1.860 ppm2 7.778 CV 1 OR { 1709} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 154 and name HN )) ASSI { 1710} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HN )) 3.200 1.300 1.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 1.710 ppm2 7.782 CV 1 OR { 1710} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HN )) ASSI { 1723} (( segid " " and resid 152 and name HB )) (( segid " " and resid 153 and name HN )) 3.300 1.300 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.16878E-02 ppm1 2.034 ppm2 7.770 CV 1 OR { 1723} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 154 and name HN )) OR { 1723} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HN )) OR { 1723} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HN )) ASSI { 1724} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 147 and name HA )) 3.400 1.400 1.400 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.90530E-03 ppm1 1.781 ppm2 3.751 CV 1 OR { 1724} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 151 and name HA1 )) ASSI { 1725} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 147 and name HA )) 3.400 1.500 1.500 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 1.718 ppm2 3.751 CV 1 OR { 1725} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 151 and name HA1 )) ASSI { 1730} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 129 and name HB3 )) 3.300 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 1.634 ppm2 1.392 CV 1 OR { 1730} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 133 and name HG13)) OR { 1730} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 133 and name HG13)) ASSI { 1732} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 133 and name HD1%) 4.000 2.000 2.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.75327E-03 ppm1 1.634 ppm2 0.684 CV 1 OR { 1732} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 133 and name HD1%) OR { 1732} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 116 and name HG13)) ASSI { 1734} (( segid " " and resid 116 and name HG12)) (( segid " " and resid 113 and name HA )) 3.400 1.500 1.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.95163E-03 ppm1 1.523 ppm2 4.054 CV 1 OR { 1734} (( segid " " and resid 94 and name HG3 )) (( segid " " and resid 94 and name HA )) ASSI { 1737} (( segid " " and resid 120 and name HG )) (( segid " " and resid 121 and name HN )) 3.500 1.500 1.500 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.21187E-02 ppm1 1.847 ppm2 7.777 CV 1 OR { 1737} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HN )) ASSI { 1741} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HA )) 3.500 1.500 1.500 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.99393E-03 ppm1 1.686 ppm2 4.050 CV 1 OR { 1741} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HA )) OR { 1741} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HA )) ASSI { 1747} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HN )) 3.000 1.100 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.24279E-02 ppm1 2.080 ppm2 8.350 CV 1 OR { 1747} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 148 and name HN )) ASSI { 1748} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HN )) 2.800 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.26736E-02 ppm1 2.008 ppm2 8.350 CV 1 OR { 1748} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 148 and name HN )) ASSI { 1752} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HN )) 4.000 2.000 2.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.46524E-03 ppm1 1.692 ppm2 7.845 CV 1 OR { 1752} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HN )) ASSI { 1755} (( segid " " and resid 142 and name HA2 )) ( segid " " and resid 143 and name HG2%) 4.000 2.000 2.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.57704E-03 ppm1 4.201 ppm2 0.812 CV 1 OR { 1755} (( segid " " and resid 142 and name HA2 )) ( segid " " and resid 144 and name HG2%) ASSI { 1770} ( segid " " and resid 146 and name HD% ) (( segid " " and resid 149 and name HB2 )) 4.100 2.100 1.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.38972E-03 ppm1 6.538 ppm2 3.189 CV 1 OR { 1770} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 149 and name HB2 )) OR { 1770} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 98 and name HD2 )) ASSI { 1778} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.30573E-02 ppm1 1.983 ppm2 8.341 CV 1 OR { 1778} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HN )) ASSI { 1788} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 4.500 2.500 1.500 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.42496E-03 ppm1 3.799 ppm2 5.063 CV 1 OR { 1788} (( segid " " and resid 110 and name HA )) (( segid " " and resid 143 and name HA )) ASSI { 1797} (( segid " " and resid 110 and name HA )) ( segid " " and resid 133 and name HG2%) 4.200 2.200 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.60319E-03 ppm1 3.799 ppm2 0.973 CV 1 OR { 1797} (( segid " " and resid 110 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI { 1844} (( segid " " and resid 110 and name HB )) (( segid " " and resid 133 and name HG12)) 4.500 2.500 1.500 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.46927E-03 ppm1 4.243 ppm2 1.658 CV 1 OR { 1844} (( segid " " and resid 110 and name HB )) (( segid " " and resid 114 and name HB2 )) ASSI { 1847} (( segid " " and resid 110 and name HB )) (( segid " " and resid 113 and name HB2 )) 4.300 2.400 1.700 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.51257E-03 ppm1 4.243 ppm2 2.240 CV 1 OR { 1847} (( segid " " and resid 110 and name HB )) (( segid " " and resid 133 and name HB )) ASSI { 1856} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 129 and name HB2 )) 3.500 1.500 1.500 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.16294E-02 ppm1 4.077 ppm2 2.015 CV 1 OR { 1856} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 129 and name HB2 )) OR { 1856} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 127 and name HB3 )) ASSI { 1862} (( segid " " and resid 97 and name HA )) ( segid " " and resid 116 and name HD1%) 3.700 1.700 1.700 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.51458E-03 ppm1 3.801 ppm2 0.431 CV 1 OR { 1862} (( segid " " and resid 97 and name HA )) ( segid " " and resid 108 and name HG2%) ASSI { 1868} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HN )) 4.000 2.000 2.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.34339E-03 ppm1 3.801 ppm2 7.545 CV 1 OR { 1868} (( segid " " and resid 97 and name HA )) (( segid " " and resid 99 and name HN )) ASSI { 1871} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HD% ) 4.100 2.100 1.900 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.42999E-03 ppm1 3.537 ppm2 7.042 CV 1 OR { 1871} (( segid " " and resid 146 and name HA )) (( segid " " and resid 97 and name HZ )) ASSI { 1874} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 3.300 1.400 1.400 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 4.083 ppm2 1.012 CV 1 OR { 1874} (( segid " " and resid 149 and name HA )) ( segid " " and resid 144 and name HG1%) ASSI { 1878} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 3.100 1.200 1.200 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 4.083 ppm2 8.414 CV 1 OR { 1878} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HN )) ASSI { 1884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HN )) 3.600 1.600 1.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.72907E-03 ppm1 4.149 ppm2 8.322 CV 1 OR { 1884} (( segid " " and resid 95 and name HA )) (( segid " " and resid 94 and name HN )) ASSI { 1885} (( segid " " and resid 109 and name HA )) ( segid " " and resid 143 and name HG2%) 3.800 1.800 1.800 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.58606E-03 ppm1 5.054 ppm2 0.809 CV 1 OR { 1885} (( segid " " and resid 109 and name HA )) ( segid " " and resid 144 and name HG2%) ASSI { 1892} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HN )) 3.200 1.300 1.300 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 4.250 ppm2 8.037 CV 1 OR { 1892} (( segid " " and resid 93 and name HA )) (( segid " " and resid 95 and name HN )) ASSI { 1895} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HN )) 3.300 1.300 1.300 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 4.387 ppm2 7.494 CV 1 OR { 1895} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HE )) ASSI { 1901} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HG12)) 3.300 1.300 1.300 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 4.223 ppm2 1.680 CV 1 OR { 1901} (( segid " " and resid 93 and name HA )) ( segid " " and resid 96 and name HB% ) ASSI { 1905} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HN )) 3.600 1.600 1.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.62739E-03 ppm1 4.223 ppm2 8.021 CV 1 OR { 1905} (( segid " " and resid 93 and name HA )) (( segid " " and resid 95 and name HN )) OR { 1905} (( segid " " and resid 130 and name HA )) (( segid " " and resid 132 and name HN )) ASSI { 1906} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.27542E-02 ppm1 4.223 ppm2 8.357 CV 1 OR { 1906} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) ASSI { 1907} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HN )) 3.300 1.300 1.300 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13061E-02 ppm1 4.209 ppm2 7.819 CV 1 OR { 1907} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) ASSI { 1909} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HN )) 2.700 0.900 0.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.35104E-02 ppm1 4.185 ppm2 7.785 CV 1 OR { 1909} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HN )) ASSI { 1918} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.38549E-02 ppm1 4.195 ppm2 8.031 CV 1 OR { 1918} (( segid " " and resid 131 and name HA )) (( segid " " and resid 132 and name HN )) ASSI { 1920} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) 3.400 1.500 1.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 4.195 ppm2 8.463 CV 1 OR { 1920} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HN )) ASSI { 1921} (( segid " " and resid 96 and name HA )) ( segid " " and resid 99 and name HD2%) 3.500 1.500 1.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 4.195 ppm2 0.832 CV 1 OR { 1921} (( segid " " and resid 96 and name HA )) ( segid " " and resid 116 and name HG2%) ASSI { 1922} (( segid " " and resid 96 and name HA )) (( segid " " and resid 95 and name HB3 )) 3.900 1.900 1.900 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.51056E-03 ppm1 4.194 ppm2 2.101 CV 1 OR { 1922} (( segid " " and resid 96 and name HA )) (( segid " " and resid 95 and name HB2 )) OR { 1922} (( segid " " and resid 131 and name HA )) (( segid " " and resid 135 and name HB2 )) ASSI { 1925} (( segid " " and resid 118 and name HA )) (( segid " " and resid 117 and name HB2 )) 3.600 1.600 1.600 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.80661E-03 ppm1 4.130 ppm2 1.841 CV 1 OR { 1925} (( segid " " and resid 118 and name HA )) (( segid " " and resid 120 and name HB3 )) OR { 1925} (( segid " " and resid 118 and name HA )) (( segid " " and resid 117 and name HG )) OR { 1925} (( segid " " and resid 118 and name HA )) (( segid " " and resid 124 and name HB2 )) ASSI { 1928} (( segid " " and resid 118 and name HA )) (( segid " " and resid 121 and name HN )) 3.100 1.200 1.200 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 4.130 ppm2 7.796 CV 1 OR { 1928} (( segid " " and resid 118 and name HA )) (( segid " " and resid 120 and name HN )) ASSI { 1937} (( segid " " and resid 113 and name HA )) (( segid " " and resid 116 and name HG12)) 3.900 1.900 1.900 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.92042E-03 ppm1 4.103 ppm2 1.486 CV 1 OR { 1937} (( segid " " and resid 119 and name HA )) ( segid " " and resid 118 and name HB% ) ASSI { 1941} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HN )) 3.500 1.500 1.500 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13968E-02 ppm1 4.103 ppm2 7.818 CV 1 OR { 1941} (( segid " " and resid 119 and name HA )) (( segid " " and resid 121 and name HN )) ASSI { 1944} (( segid " " and resid 150 and name HA )) ( segid " " and resid 93 and name HD1%) 3.600 1.600 1.600 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.70590E-03 ppm1 3.857 ppm2 0.849 CV 1 OR { 1944} (( segid " " and resid 150 and name HA )) ( segid " " and resid 152 and name HG1%) ASSI { 1955} (( segid " " and resid 129 and name HA )) (( segid " " and resid 132 and name HG2 )) 4.300 2.300 1.700 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.70090E-03 ppm1 4.016 ppm2 2.828 CV 1 OR { 1955} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HB2 )) ASSI { 1959} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HN )) 2.900 1.100 1.100 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.21187E-02 ppm1 4.365 ppm2 7.790 CV 1 OR { 1959} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HN )) ASSI { 1961} (( segid " " and resid 117 and name HA )) (( segid " " and resid 120 and name HN )) 3.500 1.500 1.500 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.76229E-03 ppm1 3.898 ppm2 7.769 CV 1 OR { 1961} (( segid " " and resid 117 and name HA )) (( segid " " and resid 121 and name HN )) ASSI { 1966} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HN )) 3.000 1.100 1.100 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 3.745 ppm2 8.350 CV 1 OR { 1966} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HN )) ASSI { 1984} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.900 1.100 1.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.19536E-02 ppm1 4.069 ppm2 1.853 CV 1 OR { 1984} (( segid " " and resid 113 and name HA )) (( segid " " and resid 116 and name HB )) ASSI { 1988} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HN )) 3.800 1.800 1.800 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.47128E-03 ppm1 4.069 ppm2 8.191 CV 1 OR { 1988} (( segid " " and resid 113 and name HA )) (( segid " " and resid 117 and name HN )) ASSI { 1995} (( segid " " and resid 148 and name HA )) ( segid " " and resid 136 and name HD1%) 3.200 1.300 1.300 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 4.031 ppm2 0.841 CV 1 OR { 1995} (( segid " " and resid 148 and name HA )) ( segid " " and resid 152 and name HG1%) OR { 1995} (( segid " " and resid 94 and name HA )) ( segid " " and resid 93 and name HD1%) OR { 1995} (( segid " " and resid 115 and name HA )) ( segid " " and resid 117 and name HD2%) OR { 1995} (( segid " " and resid 115 and name HA )) ( segid " " and resid 116 and name HG2%) OR { 1995} (( segid " " and resid 115 and name HA )) ( segid " " and resid 117 and name HD1%) OR { 1995} (( segid " " and resid 115 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 2008} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.54933E-02 ppm1 2.149 ppm2 4.101 CV 1 OR { 2008} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) OR { 2008} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name HA )) OR { 2008} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) ASSI { 2011} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HN )) 3.000 1.100 1.100 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 5.100 ppm2 7.841 CV 1 OR { 2011} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HN )) ASSI { 2015} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HN )) 3.400 1.400 1.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.89220E-03 ppm1 4.032 ppm2 8.377 CV 1 OR { 2015} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HN )) ASSI { 2023} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 144 and name HG2%) 3.500 1.500 1.500 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.63440E-03 ppm1 1.992 ppm2 0.825 CV 1 OR { 2023} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 136 and name HD1%) ASSI { 2025} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.600 0.900 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.41811E-02 ppm1 1.992 ppm2 4.054 CV 1 OR { 2025} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) ASSI { 2029} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 149 and name HN )) 3.600 1.600 1.600 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.86202E-03 ppm1 2.326 ppm2 8.398 CV 1 OR { 2029} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HN )) ASSI { 2032} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HN )) 3.100 1.200 1.200 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.12638E-02 ppm1 1.992 ppm2 8.398 CV 1 OR { 2032} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 149 and name HN )) ASSI { 405} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.29319E-02 ppm1 8.471 ppm2 4.018 CV 1 OR { 405} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) OR { 405} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) OR { 405} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) ASSI { 408} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.35165E-02 ppm1 8.471 ppm2 2.351 CV 1 OR { 408} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HG2 )) ASSI { 409} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG )) 2.900 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19841E-02 ppm1 8.471 ppm2 1.944 CV 1 OR { 409} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) ASSI { 410} (( segid " " and resid 149 and name HN )) ( segid " " and resid 144 and name HG1%) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18689E-02 ppm1 8.471 ppm2 1.033 CV 1 OR { 410} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG2%) ASSI { 415} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.600 0.800 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.72723E-02 ppm1 8.389 ppm2 2.348 CV 1 OR { 415} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG2 )) ASSI { 416} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 8.389 ppm2 2.066 CV 1 OR { 416} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) OR { 416} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB3 )) ASSI { 418} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.600 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.29496E-02 ppm1 8.389 ppm2 1.971 CV 1 OR { 418} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 422} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.500 0.800 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.45971E-02 ppm1 7.547 ppm2 3.880 CV 1 OR { 422} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA2 )) ASSI { 427} (( segid " " and resid 144 and name HN )) (( segid " " and resid 108 and name HN )) 3.400 1.400 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.89461E-03 ppm1 9.141 ppm2 8.894 CV 1 OR { 427} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) ASSI { 432} (( segid " " and resid 144 and name HN )) ( segid " " and resid 110 and name HG2%) 3.600 1.600 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.96548E-03 ppm1 9.141 ppm2 1.051 CV 1 OR { 432} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HG1%) ASSI { 435} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 2.400 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.56069E-02 ppm1 8.539 ppm2 7.880 CV 1 OR { 435} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 443} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 9.239 ppm2 7.912 CV 1 OR { 443} (( segid " " and resid 141 and name HN )) (( segid " " and resid 143 and name HN )) ASSI { 445} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA2 )) 2.700 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.40568E-02 ppm1 9.239 ppm2 3.828 CV 1 OR { 445} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA1 )) OR { 445} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) ASSI { 450} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.400 1.500 1.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 8.252 ppm2 2.272 CV 1 OR { 450} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG3 )) OR { 450} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 456} (( segid " " and resid 114 and name HN )) ( segid " " and resid 133 and name HD1%) 3.400 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 8.252 ppm2 0.619 CV 1 OR { 456} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HG1%) OR { 456} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HG13)) ASSI { 467} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.19044E-02 ppm1 7.825 ppm2 3.942 CV 1 OR { 467} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) OR { 467} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HA )) OR { 467} (( segid " " and resid 121 and name HN )) (( segid " " and resid 117 and name HA )) ASSI { 468} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.36316E-02 ppm1 7.825 ppm2 2.105 CV 1 OR { 468} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) OR { 468} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG3 )) OR { 468} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) ASSI { 470} (( segid " " and resid 153 and name HN )) ( segid " " and resid 154 and name HG2%) 3.300 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.16741E-02 ppm1 7.825 ppm2 1.158 CV 1 OR { 470} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG12)) OR { 470} (( segid " " and resid 137 and name HN )) ( segid " " and resid 110 and name HG2%) ASSI { 471} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG2%) 3.100 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 7.825 ppm2 0.916 CV 1 OR { 471} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG2%) OR { 471} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD1%) OR { 471} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG1%) OR { 471} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD2%) ASSI { 473} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.81581E-02 ppm1 7.825 ppm2 1.770 CV 1 OR { 473} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) OR { 473} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB )) OR { 473} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 484} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 3.400 1.400 1.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 7.942 ppm2 8.350 CV 1 OR { 484} (( segid " " and resid 155 and name HN )) (( segid " " and resid 157 and name HN )) ASSI { 490} (( segid " " and resid 140 and name HN )) (( segid " " and resid 143 and name HA )) 3.300 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 7.908 ppm2 5.069 CV 1 OR { 490} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HA )) ASSI { 492} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.500 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.18512E-02 ppm1 7.908 ppm2 4.168 CV 1 OR { 492} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HA )) OR { 492} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 502} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HD1%) 3.400 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 9.538 ppm2 0.812 CV 1 OR { 502} (( segid " " and resid 125 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 511} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HB )) 3.300 1.400 1.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 8.691 ppm2 2.107 CV 1 OR { 511} (( segid " " and resid 109 and name HN )) (( segid " " and resid 144 and name HB )) ASSI { 513} (( segid " " and resid 109 and name HN )) ( segid " " and resid 112 and name HG2%) 3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 8.691 ppm2 1.015 CV 1 OR { 513} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG13)) ASSI { 519} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.87691E-03 ppm1 10.646 ppm2 7.919 CV 1 OR { 519} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 520} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.13730E-02 ppm1 10.646 ppm2 4.190 CV 1 OR { 520} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 521} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.100 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 10.646 ppm2 3.756 CV 1 OR { 521} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA1 )) ASSI { 536} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 2.500 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.57485E-02 ppm1 8.171 ppm2 8.422 CV 1 OR { 536} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) ASSI { 546} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.000 0.500 0.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13942E-01 ppm1 8.428 ppm2 2.094 CV 1 OR { 546} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) OR { 546} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 547} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG )) 2.200 0.600 0.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.10009E-01 ppm1 8.428 ppm2 1.853 CV 1 OR { 547} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB )) OR { 547} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HG13)) ASSI { 549} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD1%) 3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.46414E-02 ppm1 8.428 ppm2 0.828 CV 1 OR { 549} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD2%) OR { 549} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HD1%) ASSI { 551} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.500 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.40745E-02 ppm1 8.393 ppm2 8.018 CV 1 OR { 551} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) ASSI { 552} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.300 0.700 0.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.81310E-02 ppm1 8.435 ppm2 4.088 CV 1 OR { 552} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) OR { 552} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) OR { 552} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) OR { 552} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 553} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.47034E-02 ppm1 8.393 ppm2 4.033 CV 1 OR { 553} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) OR { 553} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) OR { 553} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 555} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.55360E-02 ppm1 8.260 ppm2 4.025 CV 1 OR { 555} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) OR { 555} (( segid " " and resid 117 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 560} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.44908E-02 ppm1 7.529 ppm2 3.927 CV 1 OR { 560} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 569} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.57577E-02 ppm1 7.766 ppm2 4.352 CV 1 OR { 569} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) ASSI { 578} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.200 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 8.935 ppm2 2.000 CV 1 OR { 578} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) ASSI { 584} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HA )) 3.100 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 7.903 ppm2 4.621 CV 1 OR { 584} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) OR { 584} (( segid " " and resid 155 and name HN )) (( segid " " and resid 157 and name HA )) ASSI { 585} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.200 0.600 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.14739E-01 ppm1 7.903 ppm2 3.846 CV 1 OR { 585} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB )) OR { 585} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA2 )) ASSI { 590} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 7.750 ppm2 4.134 CV 1 OR { 590} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 593} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.500 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.40568E-02 ppm1 7.750 ppm2 1.806 CV 1 OR { 593} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) OR { 593} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 594} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.800 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 7.750 ppm2 1.622 CV 1 OR { 594} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) ASSI { 595} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD1%) 3.300 1.300 1.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.14172E-02 ppm1 7.750 ppm2 0.887 CV 1 OR { 595} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG1%) OR { 595} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD2%) ASSI { 597} (( segid " " and resid 137 and name HN )) (( segid " " and resid 133 and name HA )) 3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 7.825 ppm2 3.713 CV 1 OR { 597} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HA1 )) ASSI { 598} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.77063E-03 ppm1 7.825 ppm2 4.087 CV 1 OR { 598} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) OR { 598} (( segid " " and resid 153 and name HN )) (( segid " " and resid 149 and name HA )) OR { 598} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) ASSI { 602} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.30824E-02 ppm1 8.954 ppm2 4.437 CV 1 OR { 602} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HA ))
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