NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
26709 | 2o2o | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 9.739 ppm2 0.730 CV 1 ASSI { 5} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB2 )) 2.100 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.68742E-02 ppm1 7.341 ppm2 2.560 CV 1 ASSI { 6} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.68742E-02 ppm1 6.600 ppm2 2.560 CV 1 ASSI { 7} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.69333E-02 ppm1 8.546 ppm2 2.618 CV 1 ASSI { 8} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG1%) 2.000 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.69368E-02 ppm1 9.154 ppm2 0.836 CV 1 ASSI { 14} (( segid " " and resid 159 and name HN )) ( segid " " and resid 162 and name HD1%) 3.400 1.500 1.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 8.310 ppm2 0.773 CV 1 OR { 14} (( segid " " and resid 159 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 15} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.68742E-02 ppm1 6.601 ppm2 4.514 CV 1 ASSI { 16} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.600 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.68742E-02 ppm1 9.026 ppm2 2.334 CV 1 ASSI { 17} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.68742E-02 ppm1 7.577 ppm2 2.208 CV 1 ASSI { 46} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HE22)) 1.400 0.200 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.53589E-01 ppm1 7.578 ppm2 6.770 CV 1 ASSI { 51} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HD22)) 1.600 0.300 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.45768E-01 ppm1 7.703 ppm2 7.080 CV 1 ASSI { 71} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HD22)) 1.800 0.400 0.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27115E-01 ppm1 7.342 ppm2 6.596 CV 1 ASSI { 80} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HD22)) 1.800 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.23697E-01 ppm1 7.443 ppm2 6.586 CV 1 ASSI { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA1 )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.15315E-01 ppm1 8.239 ppm2 3.822 CV 1 OR { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA2 )) ASSI { 110} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.14768E-01 ppm1 8.440 ppm2 4.616 CV 1 ASSI { 114} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.14286E-01 ppm1 8.255 ppm2 4.561 CV 1 ASSI { 115} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.400 2.400 3.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.14163E-01 ppm1 8.060 ppm2 4.567 CV 1 ASSI { 117} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.900 0.400 0.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14051E-01 ppm1 7.499 ppm2 4.662 CV 1 ASSI { 118} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.13589E-01 ppm1 8.347 ppm2 4.243 CV 1 ASSI { 120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.13431E-01 ppm1 8.310 ppm2 4.414 CV 1 ASSI { 125} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12901E-01 ppm1 9.875 ppm2 7.039 CV 1 ASSI { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12393E-01 ppm1 7.855 ppm2 3.833 CV 1 OR { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 131} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.200 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.11989E-01 ppm1 8.485 ppm2 4.406 CV 1 ASSI { 138} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 8.159 ppm2 4.173 CV 1 ASSI { 140} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10871E-01 ppm1 7.855 ppm2 1.781 CV 1 ASSI { 141} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10762E-01 ppm1 8.692 ppm2 4.463 CV 1 ASSI { 143} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10568E-01 ppm1 8.785 ppm2 4.063 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10561E-01 ppm1 8.912 ppm2 4.567 CV 1 ASSI { 145} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10477E-01 ppm1 8.921 ppm2 4.584 CV 1 ASSI { 146} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.10426E-01 ppm1 8.060 ppm2 0.794 CV 1 ASSI { 147} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10149E-01 ppm1 7.876 ppm2 4.362 CV 1 ASSI { 149} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10036E-01 ppm1 8.326 ppm2 4.565 CV 1 ASSI { 150} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.400 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.99833E-02 ppm1 8.060 ppm2 1.720 CV 1 ASSI { 152} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.100 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.99246E-02 ppm1 7.977 ppm2 4.293 CV 1 ASSI { 155} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.400 2.400 3.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.93619E-02 ppm1 8.239 ppm2 4.228 CV 1 ASSI { 156} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.90673E-02 ppm1 10.056 ppm2 7.078 CV 1 ASSI { 159} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.88665E-02 ppm1 8.158 ppm2 1.609 CV 1 ASSI { 160} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.87586E-02 ppm1 8.979 ppm2 5.457 CV 1 ASSI { 161} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.87350E-02 ppm1 8.306 ppm2 4.396 CV 1 ASSI { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.86845E-02 ppm1 8.315 ppm2 3.961 CV 1 OR { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.000 0.500 0.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.86700E-02 ppm1 9.127 ppm2 5.046 CV 1 ASSI { 165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.84869E-02 ppm1 8.575 ppm2 4.689 CV 1 ASSI { 166} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.84699E-02 ppm1 9.062 ppm2 4.672 CV 1 ASSI { 169} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.83549E-02 ppm1 9.739 ppm2 4.685 CV 1 ASSI { 170} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 1.900 0.400 0.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.82738E-02 ppm1 9.005 ppm2 4.784 CV 1 ASSI { 171} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.80899E-02 ppm1 8.198 ppm2 1.885 CV 1 ASSI { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.600 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.80171E-02 ppm1 8.541 ppm2 3.948 CV 1 OR { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.79021E-02 ppm1 8.347 ppm2 1.635 CV 1 ASSI { 178} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.100 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.77556E-02 ppm1 8.677 ppm2 4.835 CV 1 ASSI { 179} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.76110E-02 ppm1 7.830 ppm2 1.726 CV 1 ASSI { 180} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.74642E-02 ppm1 8.343 ppm2 3.742 CV 1 ASSI { 182} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.72688E-02 ppm1 9.739 ppm2 4.356 CV 1 ASSI { 183} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HN )) 1.900 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.70703E-02 ppm1 7.855 ppm2 8.215 CV 1 ASSI { 184} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.70613E-02 ppm1 8.534 ppm2 4.448 CV 1 ASSI { 185} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.70381E-02 ppm1 8.545 ppm2 4.346 CV 1 ASSI { 187} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.68782E-02 ppm1 8.541 ppm2 4.289 CV 1 ASSI { 188} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HG2%) 3.000 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.68608E-02 ppm1 7.475 ppm2 0.782 CV 1 ASSI { 189} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.67392E-02 ppm1 8.473 ppm2 3.491 CV 1 ASSI { 190} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.66490E-02 ppm1 7.876 ppm2 1.934 CV 1 ASSI { 191} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.66486E-02 ppm1 8.473 ppm2 4.789 CV 1 ASSI { 192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.66277E-02 ppm1 8.476 ppm2 7.405 CV 1 ASSI { 193} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.66257E-02 ppm1 9.121 ppm2 5.874 CV 1 ASSI { 195} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.65576E-02 ppm1 8.599 ppm2 4.097 CV 1 ASSI { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.65261E-02 ppm1 7.500 ppm2 1.326 CV 1 OR { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 198} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) 2.400 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.64919E-02 ppm1 7.855 ppm2 4.028 CV 1 ASSI { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.600 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.64769E-02 ppm1 7.977 ppm2 1.947 CV 1 OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG2 )) ASSI { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB3 )) 2.100 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.64434E-02 ppm1 8.545 ppm2 1.513 CV 1 OR { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 202} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.63713E-02 ppm1 8.971 ppm2 5.365 CV 1 ASSI { 203} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.63682E-02 ppm1 7.525 ppm2 3.696 CV 1 ASSI { 204} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.63296E-02 ppm1 9.533 ppm2 5.187 CV 1 ASSI { 205} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.63087E-02 ppm1 8.345 ppm2 4.022 CV 1 ASSI { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB3 )) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.62083E-02 ppm1 8.306 ppm2 2.614 CV 1 OR { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 211} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.61559E-02 ppm1 9.110 ppm2 5.390 CV 1 ASSI { 212} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.60595E-02 ppm1 8.476 ppm2 4.724 CV 1 ASSI { 215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.59287E-02 ppm1 8.141 ppm2 2.166 CV 1 ASSI { 216} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.300 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.59252E-02 ppm1 8.974 ppm2 5.017 CV 1 ASSI { 217} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.59145E-02 ppm1 8.141 ppm2 4.408 CV 1 ASSI { 218} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.200 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.59082E-02 ppm1 8.141 ppm2 2.752 CV 1 ASSI { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 2.900 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.58472E-02 ppm1 8.254 ppm2 3.931 CV 1 OR { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 225} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.55455E-02 ppm1 7.392 ppm2 9.029 CV 1 ASSI { 227} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 3.400 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.54770E-02 ppm1 7.854 ppm2 0.778 CV 1 ASSI { 229} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.400 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.54097E-02 ppm1 9.126 ppm2 0.724 CV 1 ASSI { 231} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.54081E-02 ppm1 8.759 ppm2 5.215 CV 1 ASSI { 234} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG12)) 3.300 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.53140E-02 ppm1 7.855 ppm2 1.072 CV 1 ASSI { 235} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.53069E-02 ppm1 8.912 ppm2 4.065 CV 1 ASSI { 236} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.52963E-02 ppm1 8.576 ppm2 2.670 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.52537E-02 ppm1 8.473 ppm2 4.115 CV 1 ASSI { 239} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.52384E-02 ppm1 8.306 ppm2 4.563 CV 1 ASSI { 240} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.000 0.500 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.52108E-02 ppm1 9.072 ppm2 5.046 CV 1 ASSI { 242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.51765E-02 ppm1 8.350 ppm2 4.295 CV 1 ASSI { 243} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.51659E-02 ppm1 9.027 ppm2 4.385 CV 1 ASSI { 247} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.51191E-02 ppm1 7.703 ppm2 2.726 CV 1 ASSI { 248} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.400 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.51179E-02 ppm1 8.912 ppm2 2.234 CV 1 ASSI { 249} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 2.900 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.50797E-02 ppm1 7.374 ppm2 9.072 CV 1 ASSI { 250} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.50714E-02 ppm1 8.363 ppm2 4.515 CV 1 ASSI { 251} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.300 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.50553E-02 ppm1 8.922 ppm2 1.932 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.50387E-02 ppm1 8.440 ppm2 3.966 CV 1 ASSI { 255} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB3 )) 2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.49942E-02 ppm1 7.829 ppm2 1.854 CV 1 ASSI { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.49773E-02 ppm1 8.309 ppm2 3.817 CV 1 OR { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 257} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.49371E-02 ppm1 9.074 ppm2 3.755 CV 1 ASSI { 260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.49174E-02 ppm1 8.326 ppm2 4.173 CV 1 ASSI { 261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.49072E-02 ppm1 8.428 ppm2 5.175 CV 1 ASSI { 263} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HZ2 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.48643E-02 ppm1 9.875 ppm2 7.285 CV 1 ASSI { 264} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.48587E-02 ppm1 9.072 ppm2 1.817 CV 1 ASSI { 265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.48241E-02 ppm1 8.861 ppm2 4.565 CV 1 ASSI { 268} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.000 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.47339E-02 ppm1 8.476 ppm2 2.805 CV 1 ASSI { 269} (( segid " " and resid 161 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.100 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.47339E-02 ppm1 8.323 ppm2 2.201 CV 1 ASSI { 271} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.47004E-02 ppm1 9.154 ppm2 4.148 CV 1 ASSI { 272} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.46918E-02 ppm1 7.391 ppm2 1.997 CV 1 ASSI { 273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.46244E-02 ppm1 8.474 ppm2 4.358 CV 1 ASSI { 274} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG2%) 3.300 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.46197E-02 ppm1 9.154 ppm2 0.775 CV 1 ASSI { 275} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.45992E-02 ppm1 10.056 ppm2 7.392 CV 1 ASSI { 277} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG13)) 2.500 2.500 3.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.45705E-02 ppm1 7.854 ppm2 1.348 CV 1 ASSI { 278} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.45693E-02 ppm1 8.476 ppm2 2.719 CV 1 ASSI { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.000 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.45567E-02 ppm1 8.454 ppm2 3.852 CV 1 OR { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 281} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.45362E-02 ppm1 7.830 ppm2 4.617 CV 1 ASSI { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.44744E-02 ppm1 7.830 ppm2 8.464 CV 1 ASSI { 284} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.43980E-02 ppm1 9.074 ppm2 0.858 CV 1 ASSI { 285} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.400 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.43972E-02 ppm1 7.402 ppm2 2.469 CV 1 ASSI { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.43874E-02 ppm1 8.454 ppm2 1.514 CV 1 OR { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 287} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 2.200 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.43629E-02 ppm1 8.324 ppm2 8.166 CV 1 ASSI { 290} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.42925E-02 ppm1 7.392 ppm2 2.211 CV 1 ASSI { 291} (( segid " " and resid 145 and name HN )) ( segid " " and resid 127 and name HG1%) 3.200 3.200 2.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.42393E-02 ppm1 8.979 ppm2 1.117 CV 1 ASSI { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.42011E-02 ppm1 8.922 ppm2 1.873 CV 1 ASSI { 295} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.41944E-02 ppm1 8.785 ppm2 3.546 CV 1 ASSI { 299} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.40759E-02 ppm1 7.125 ppm2 0.686 CV 1 ASSI { 300} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.40751E-02 ppm1 8.141 ppm2 2.340 CV 1 ASSI { 301} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB2 )) 3.500 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.40648E-02 ppm1 7.079 ppm2 2.727 CV 1 ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.40136E-02 ppm1 8.141 ppm2 8.446 CV 1 ASSI { 304} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.39857E-02 ppm1 8.923 ppm2 0.828 CV 1 ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.39810E-02 ppm1 7.392 ppm2 4.685 CV 1 ASSI { 307} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.39416E-02 ppm1 7.545 ppm2 7.124 CV 1 ASSI { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.300 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.39112E-02 ppm1 8.921 ppm2 1.705 CV 1 OR { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 311} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.39016E-02 ppm1 8.921 ppm2 2.368 CV 1 ASSI { 312} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 3.000 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.38980E-02 ppm1 7.374 ppm2 0.844 CV 1 ASSI { 313} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.38902E-02 ppm1 7.975 ppm2 0.419 CV 1 ASSI { 314} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38838E-02 ppm1 8.362 ppm2 8.780 CV 1 ASSI { 315} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.38812E-02 ppm1 8.343 ppm2 4.408 CV 1 ASSI { 316} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 9.110 ppm2 0.880 CV 1 ASSI { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) 3.000 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.38378E-02 ppm1 8.351 ppm2 0.842 CV 1 OR { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG1%) ASSI { 320} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.100 1.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.37889E-02 ppm1 8.923 ppm2 3.860 CV 1 ASSI { 321} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.600 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.37812E-02 ppm1 9.110 ppm2 2.163 CV 1 ASSI { 325} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.37354E-02 ppm1 8.921 ppm2 2.104 CV 1 ASSI { 327} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HG1%) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.37080E-02 ppm1 9.004 ppm2 1.143 CV 1 ASSI { 328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.37018E-02 ppm1 8.243 ppm2 1.675 CV 1 ASSI { 329} (( segid " " and resid 160 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.400 3.400 2.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.37004E-02 ppm1 8.279 ppm2 1.526 CV 1 ASSI { 330} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.36799E-02 ppm1 8.923 ppm2 5.239 CV 1 ASSI { 331} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.36714E-02 ppm1 8.678 ppm2 0.771 CV 1 ASSI { 332} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.36330E-02 ppm1 9.071 ppm2 0.688 CV 1 ASSI { 333} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.36102E-02 ppm1 7.876 ppm2 1.786 CV 1 ASSI { 336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.35566E-02 ppm1 8.974 ppm2 1.817 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.35228E-02 ppm1 7.545 ppm2 2.914 CV 1 ASSI { 340} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.35171E-02 ppm1 8.811 ppm2 4.435 CV 1 ASSI { 342} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.34749E-02 ppm1 8.442 ppm2 3.428 CV 1 ASSI { 343} (( segid " " and resid 143 and name HN )) ( segid " " and resid 139 and name HG2%) 2.900 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.34646E-02 ppm1 7.830 ppm2 0.727 CV 1 ASSI { 344} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.34643E-02 ppm1 8.242 ppm2 4.286 CV 1 ASSI { 347} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA1 )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.34383E-02 ppm1 8.812 ppm2 3.835 CV 1 ASSI { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.900 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.34295E-02 ppm1 8.759 ppm2 1.749 CV 1 OR { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 349} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.34217E-02 ppm1 8.575 ppm2 4.509 CV 1 ASSI { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) 3.900 1.900 1.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33901E-02 ppm1 8.198 ppm2 2.180 CV 1 OR { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) ASSI { 351} (( segid " " and resid 123 and name HN )) ( segid " " and resid 105 and name HG1%) 2.100 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.33836E-02 ppm1 8.141 ppm2 0.861 CV 1 ASSI { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.33349E-02 ppm1 9.739 ppm2 0.844 CV 1 OR { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) ASSI { 362} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.32291E-02 ppm1 8.254 ppm2 4.099 CV 1 ASSI { 365} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 8.921 ppm2 4.347 CV 1 ASSI { 369} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.600 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.31361E-02 ppm1 8.363 ppm2 2.560 CV 1 ASSI { 370} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.31235E-02 ppm1 8.473 ppm2 0.731 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.31188E-02 ppm1 7.475 ppm2 4.179 CV 1 ASSI { 373} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.30884E-02 ppm1 8.362 ppm2 2.667 CV 1 ASSI { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB3 )) 3.400 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.30791E-02 ppm1 8.329 ppm2 2.617 CV 1 OR { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 376} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.30241E-02 ppm1 8.350 ppm2 1.900 CV 1 ASSI { 378} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.800 1.800 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.30000E-02 ppm1 9.062 ppm2 1.771 CV 1 ASSI { 383} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.29406E-02 ppm1 8.442 ppm2 4.445 CV 1 ASSI { 384} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 1.600 0.300 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 9.154 ppm2 7.470 CV 1 ASSI { 386} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 2.600 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.29262E-02 ppm1 8.309 ppm2 2.050 CV 1 ASSI { 387} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 8.677 ppm2 1.281 CV 1 ASSI { 390} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HA )) 3.400 1.500 1.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28264E-02 ppm1 8.350 ppm2 5.220 CV 1 ASSI { 391} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB3 )) 3.600 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.28194E-02 ppm1 7.703 ppm2 2.992 CV 1 ASSI { 392} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HN )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28119E-02 ppm1 7.830 ppm2 9.124 CV 1 ASSI { 393} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 9.074 ppm2 0.722 CV 1 ASSI { 394} (( segid " " and resid 139 and name HN )) ( segid " " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.27887E-02 ppm1 8.923 ppm2 0.419 CV 1 ASSI { 395} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG2 )) 3.500 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.27839E-02 ppm1 7.578 ppm2 2.337 CV 1 ASSI { 396} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.27834E-02 ppm1 8.244 ppm2 4.567 CV 1 ASSI { 398} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB3 )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27615E-02 ppm1 9.127 ppm2 1.763 CV 1 ASSI { 401} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.900 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27437E-02 ppm1 8.238 ppm2 1.510 CV 1 ASSI { 406} (( segid " " and resid 104 and name HN )) ( segid " " and resid 155 and name HD1%) 4.400 2.400 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.26741E-02 ppm1 8.974 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 104 and name HN )) ( segid " " and resid 155 and name HD2%) ASSI { 407} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 2.900 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.26722E-02 ppm1 8.362 ppm2 7.049 CV 1 ASSI { 408} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB3 )) 3.900 1.900 1.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26478E-02 ppm1 7.443 ppm2 2.823 CV 1 ASSI { 409} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.600 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26464E-02 ppm1 7.475 ppm2 4.023 CV 1 ASSI { 411} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB3 )) 3.600 1.600 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.26352E-02 ppm1 7.341 ppm2 2.642 CV 1 ASSI { 412} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.26124E-02 ppm1 8.979 ppm2 4.436 CV 1 ASSI { 414} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.26017E-02 ppm1 8.758 ppm2 2.893 CV 1 ASSI { 415} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 8.311 ppm2 2.346 CV 1 ASSI { 417} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25491E-02 ppm1 9.075 ppm2 5.047 CV 1 ASSI { 422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 8.979 ppm2 3.834 CV 1 ASSI { 424} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.24849E-02 ppm1 8.812 ppm2 1.973 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) 2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.24673E-02 ppm1 8.453 ppm2 0.745 CV 1 ASSI { 431} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.24322E-02 ppm1 7.544 ppm2 3.740 CV 1 ASSI { 432} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.200 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.24306E-02 ppm1 7.475 ppm2 3.743 CV 1 ASSI { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.24230E-02 ppm1 8.599 ppm2 3.932 CV 1 OR { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) ASSI { 435} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) 3.700 1.700 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.23998E-02 ppm1 9.072 ppm2 1.282 CV 1 ASSI { 437} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.23681E-02 ppm1 8.243 ppm2 1.815 CV 1 ASSI { 438} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.23588E-02 ppm1 7.876 ppm2 1.276 CV 1 ASSI { 441} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.23395E-02 ppm1 9.533 ppm2 3.859 CV 1 ASSI { 445} (( segid " " and resid 145 and name HN )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.23216E-02 ppm1 8.979 ppm2 9.534 CV 1 ASSI { 446} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 7.544 ppm2 8.360 CV 1 ASSI { 451} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.22577E-02 ppm1 8.428 ppm2 2.470 CV 1 ASSI { 453} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.900 1.900 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.22467E-02 ppm1 7.374 ppm2 2.916 CV 1 ASSI { 457} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.22148E-02 ppm1 8.599 ppm2 4.670 CV 1 ASSI { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.300 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 7.500 ppm2 0.789 CV 1 OR { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) ASSI { 459} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 7.500 ppm2 1.462 CV 1 ASSI { 460} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.400 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.22091E-02 ppm1 8.973 ppm2 2.972 CV 1 ASSI { 462} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.21845E-02 ppm1 9.153 ppm2 1.923 CV 1 ASSI { 463} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB3 )) 4.100 2.100 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.21621E-02 ppm1 7.079 ppm2 2.992 CV 1 ASSI { 464} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HB3 )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.21601E-02 ppm1 10.056 ppm2 1.720 CV 1 ASSI { 465} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HE% ) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21532E-02 ppm1 9.533 ppm2 6.855 CV 1 ASSI { 469} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.21350E-02 ppm1 7.374 ppm2 4.561 CV 1 ASSI { 471} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.100 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.21332E-02 ppm1 8.238 ppm2 1.607 CV 1 ASSI { 472} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD% ) 2.900 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.21322E-02 ppm1 9.121 ppm2 6.830 CV 1 ASSI { 473} (( segid " " and resid 141 and name HD21)) ( segid " " and resid 105 and name HG1%) 2.300 2.300 3.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 7.702 ppm2 0.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD1%) 3.800 1.800 1.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.21189E-02 ppm1 8.159 ppm2 0.774 CV 1 OR { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 477} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.21032E-02 ppm1 7.442 ppm2 2.693 CV 1 ASSI { 478} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.300 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.20960E-02 ppm1 9.121 ppm2 2.049 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) 3.500 1.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 8.243 ppm2 1.537 CV 1 OR { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 8.306 ppm2 3.822 CV 1 OR { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 481} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.500 1.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.20846E-02 ppm1 8.472 ppm2 2.892 CV 1 ASSI { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.20798E-02 ppm1 8.244 ppm2 2.181 CV 1 OR { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 483} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 3.300 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 7.402 ppm2 4.728 CV 1 ASSI { 485} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.20540E-02 ppm1 9.027 ppm2 4.218 CV 1 ASSI { 486} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.20478E-02 ppm1 8.472 ppm2 1.951 CV 1 ASSI { 487} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.20476E-02 ppm1 8.441 ppm2 1.722 CV 1 ASSI { 488} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.20447E-02 ppm1 7.392 ppm2 4.388 CV 1 ASSI { 490} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.20341E-02 ppm1 8.602 ppm2 2.015 CV 1 ASSI { 493} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.600 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.20238E-02 ppm1 8.141 ppm2 3.426 CV 1 ASSI { 494} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.20225E-02 ppm1 8.141 ppm2 9.095 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.20082E-02 ppm1 7.392 ppm2 4.205 CV 1 ASSI { 498} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG12)) 3.800 1.800 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 7.125 ppm2 1.290 CV 1 ASSI { 500} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19882E-02 ppm1 7.526 ppm2 8.358 CV 1 ASSI { 501} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19855E-02 ppm1 7.978 ppm2 4.786 CV 1 ASSI { 502} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.19773E-02 ppm1 8.973 ppm2 2.619 CV 1 ASSI { 503} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.500 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 7.829 ppm2 3.494 CV 1 ASSI { 504} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.19690E-02 ppm1 8.545 ppm2 5.017 CV 1 ASSI { 505} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 7.879 ppm2 4.564 CV 1 ASSI { 506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG12)) 3.900 1.900 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.19558E-02 ppm1 8.678 ppm2 1.109 CV 1 ASSI { 507} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 8.362 ppm2 2.838 CV 1 ASSI { 508} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 8.427 ppm2 4.380 CV 1 ASSI { 509} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.19435E-02 ppm1 9.128 ppm2 4.673 CV 1 ASSI { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD1%) 2.900 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.19162E-02 ppm1 8.544 ppm2 0.740 CV 1 ASSI { 518} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.19077E-02 ppm1 9.062 ppm2 0.745 CV 1 ASSI { 519} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 7.398 ppm2 5.176 CV 1 ASSI { 520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 7.830 ppm2 4.112 CV 1 ASSI { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.600 2.600 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 8.974 ppm2 1.512 CV 1 OR { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 523} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HD1%) 4.400 2.400 1.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.18694E-02 ppm1 7.545 ppm2 0.688 CV 1 ASSI { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB2 )) 4.500 2.600 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.18655E-02 ppm1 7.474 ppm2 1.763 CV 1 OR { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 525} (( segid " " and resid 139 and name HN )) (( segid " " and resid 126 and name HN )) 3.100 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 8.923 ppm2 7.969 CV 1 ASSI { 529} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HG2%) 5.200 3.400 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 9.004 ppm2 0.779 CV 1 ASSI { 530} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HG2%) 4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.18177E-02 ppm1 9.532 ppm2 0.723 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 3.600 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18135E-02 ppm1 9.026 ppm2 2.503 CV 1 ASSI { 533} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.18082E-02 ppm1 9.127 ppm2 1.172 CV 1 ASSI { 534} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 8.350 ppm2 1.723 CV 1 ASSI { 536} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.17961E-02 ppm1 8.442 ppm2 5.463 CV 1 ASSI { 537} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.17935E-02 ppm1 9.072 ppm2 4.583 CV 1 ASSI { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB3 )) 3.500 1.500 1.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17932E-02 ppm1 8.971 ppm2 1.514 CV 1 OR { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 542} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 542 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 7.374 ppm2 2.290 CV 1 ASSI { 543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 8.349 ppm2 3.986 CV 1 ASSI { 544} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.17710E-02 ppm1 8.435 ppm2 1.441 CV 1 ASSI { 547} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 4.000 2.000 2.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 8.158 ppm2 2.002 CV 1 ASSI { 549} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 4.100 2.100 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17559E-02 ppm1 8.239 ppm2 0.778 CV 1 ASSI { 550} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 140 and name HG )) 4.400 2.400 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.17487E-02 ppm1 7.079 ppm2 1.445 CV 1 ASSI { 551} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.17437E-02 ppm1 8.602 ppm2 2.491 CV 1 ASSI { 552} (( segid " " and resid 137 and name HN )) (( segid " " and resid 129 and name HN )) 3.700 1.700 1.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.17408E-02 ppm1 8.759 ppm2 7.466 CV 1 ASSI { 553} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.17360E-02 ppm1 8.310 ppm2 1.882 CV 1 ASSI { 555} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG3 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.17248E-02 ppm1 7.578 ppm2 2.521 CV 1 ASSI { 556} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.200 3.200 2.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.17223E-02 ppm1 8.060 ppm2 3.928 CV 1 ASSI { 557} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.17158E-02 ppm1 8.544 ppm2 2.103 CV 1 ASSI { 558} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HG )) 3.200 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 7.703 ppm2 1.445 CV 1 ASSI { 560} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.16781E-02 ppm1 8.676 ppm2 4.295 CV 1 ASSI { 562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.000 1.100 1.100 peak 562 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 8.311 ppm2 2.754 CV 1 ASSI { 563} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 8.599 ppm2 0.759 CV 1 ASSI { 565} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 4.000 2.000 2.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.16627E-02 ppm1 8.921 ppm2 0.694 CV 1 ASSI { 566} (( segid " " and resid 149 and name HN )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.16568E-02 ppm1 7.525 ppm2 4.782 CV 1 ASSI { 570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.16406E-02 ppm1 8.677 ppm2 5.385 CV 1 ASSI { 573} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 9.739 ppm2 8.469 CV 1 ASSI { 578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA2 )) 3.900 1.900 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.16192E-02 ppm1 9.153 ppm2 5.238 CV 1 ASSI { 579} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 8.426 ppm2 1.279 CV 1 ASSI { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.700 1.700 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.16157E-02 ppm1 8.360 ppm2 2.193 CV 1 OR { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 581} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.16089E-02 ppm1 9.005 ppm2 4.145 CV 1 ASSI { 584} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 8.922 ppm2 5.048 CV 1 ASSI { 586} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB3 )) 4.600 2.700 1.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 6.587 ppm2 2.823 CV 1 ASSI { 587} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.15812E-02 ppm1 9.121 ppm2 5.184 CV 1 ASSI { 589} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.15770E-02 ppm1 8.691 ppm2 5.354 CV 1 ASSI { 590} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA2 )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.15708E-02 ppm1 8.362 ppm2 3.952 CV 1 ASSI { 591} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.300 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.15667E-02 ppm1 9.074 ppm2 4.194 CV 1 ASSI { 592} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 7.526 ppm2 1.595 CV 1 ASSI { 595} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 9.128 ppm2 5.457 CV 1 ASSI { 596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.15526E-02 ppm1 7.545 ppm2 4.705 CV 1 ASSI { 598} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.15435E-02 ppm1 8.968 ppm2 5.017 CV 1 ASSI { 599} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD2%) 3.900 1.900 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.15431E-02 ppm1 9.061 ppm2 0.466 CV 1 ASSI { 602} (( segid " " and resid 127 and name HN )) (( segid " " and resid 102 and name HA )) 3.400 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 9.005 ppm2 5.354 CV 1 ASSI { 603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.15160E-02 ppm1 8.255 ppm2 2.288 CV 1 ASSI { 604} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.15147E-02 ppm1 8.974 ppm2 5.388 CV 1 ASSI { 605} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HA )) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15083E-02 ppm1 8.968 ppm2 4.795 CV 1 ASSI { 607} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HN )) 3.200 1.300 1.300 peak 607 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 9.118 ppm2 8.463 CV 1 ASSI { 608} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG2%) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 7.526 ppm2 0.676 CV 1 ASSI { 612} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.14924E-02 ppm1 8.677 ppm2 8.974 CV 1 ASSI { 613} (( segid " " and resid 145 and name HN )) (( segid " " and resid 139 and name HA )) 3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.14904E-02 ppm1 8.978 ppm2 5.043 CV 1 ASSI { 614} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HD1%) 4.300 2.300 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 8.363 ppm2 0.682 CV 1 ASSI { 615} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.400 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 8.542 ppm2 8.230 CV 1 ASSI { 618} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG2 )) 4.200 2.200 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 6.777 ppm2 2.328 CV 1 ASSI { 620} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.900 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.599 ppm2 1.629 CV 1 ASSI { 623} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.14449E-02 ppm1 7.374 ppm2 4.194 CV 1 ASSI { 626} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 8.599 ppm2 2.873 CV 1 ASSI { 631} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.200 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14085E-02 ppm1 7.392 ppm2 2.684 CV 1 ASSI { 632} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HE3 )) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 9.121 ppm2 6.991 CV 1 ASSI { 633} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HN )) 3.300 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 8.862 ppm2 8.604 CV 1 ASSI { 637} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HG12)) 2.500 2.500 3.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13895E-02 ppm1 8.922 ppm2 1.280 CV 1 ASSI { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.13885E-02 ppm1 8.863 ppm2 3.621 CV 1 OR { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 641} (( segid " " and resid 138 and name HN )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 641 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 9.533 ppm2 5.874 CV 1 ASSI { 642} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13862E-02 ppm1 7.125 ppm2 5.047 CV 1 ASSI { 645} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.400 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 8.351 ppm2 7.074 CV 1 ASSI { 649} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.313 ppm2 2.044 CV 1 ASSI { 652} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 8.861 ppm2 0.755 CV 1 ASSI { 653} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB3 )) 4.500 2.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 6.601 ppm2 2.643 CV 1 ASSI { 654} (( segid " " and resid 144 and name HN )) ( segid " " and resid 139 and name HG2%) 3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13212E-02 ppm1 8.434 ppm2 0.735 CV 1 ASSI { 655} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.000 2.000 2.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.13119E-02 ppm1 7.402 ppm2 2.674 CV 1 ASSI { 656} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.13097E-02 ppm1 8.471 ppm2 5.216 CV 1 ASSI { 658} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.800 1.800 1.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 8.474 ppm2 4.686 CV 1 ASSI { 659} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 7.404 ppm2 2.796 CV 1 ASSI { 666} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12753E-02 ppm1 9.121 ppm2 2.648 CV 1 ASSI { 667} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 4.400 2.400 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 7.392 ppm2 2.819 CV 1 ASSI { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 4.000 2.000 2.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 8.973 ppm2 2.005 CV 1 OR { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) ASSI { 672} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.700 2.700 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 8.244 ppm2 2.659 CV 1 ASSI { 673} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.600 2.600 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.12475E-02 ppm1 8.363 ppm2 1.198 CV 1 ASSI { 674} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 8.362 ppm2 4.063 CV 1 ASSI { 676} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 3.700 1.700 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 8.363 ppm2 3.701 CV 1 ASSI { 679} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 8.060 ppm2 4.086 CV 1 ASSI { 680} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 2.500 3.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.12342E-02 ppm1 7.403 ppm2 4.509 CV 1 ASSI { 683} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.12301E-02 ppm1 8.813 ppm2 5.872 CV 1 ASSI { 684} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA1 )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 8.364 ppm2 3.549 CV 1 ASSI { 685} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.900 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.12209E-02 ppm1 9.111 ppm2 3.756 CV 1 ASSI { 686} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB2 )) 4.500 2.600 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 6.587 ppm2 2.692 CV 1 ASSI { 687} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HA )) 4.600 2.700 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 7.855 ppm2 4.224 CV 1 ASSI { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.800 1.800 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 9.532 ppm2 1.750 CV 1 OR { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 693} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 7.545 ppm2 4.520 CV 1 ASSI { 694} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.700 1.700 1.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 7.500 ppm2 2.873 CV 1 ASSI { 695} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.11941E-02 ppm1 8.541 ppm2 1.810 CV 1 ASSI { 696} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) 4.000 2.000 2.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.11835E-02 ppm1 8.758 ppm2 4.293 CV 1 ASSI { 698} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.800 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 8.544 ppm2 1.932 CV 1 ASSI { 700} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG3 )) 3.300 1.400 1.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 7.977 ppm2 2.212 CV 1 ASSI { 702} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG3 )) 4.000 2.000 2.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11618E-02 ppm1 6.778 ppm2 2.525 CV 1 ASSI { 706} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 3.500 1.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 7.125 ppm2 1.818 CV 1 ASSI { 716} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.500 2.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11210E-02 ppm1 9.739 ppm2 2.992 CV 1 ASSI { 717} (( segid " " and resid 153 and name HN )) ( segid " " and resid 106 and name HB% ) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.11120E-02 ppm1 9.072 ppm2 0.853 CV 1 ASSI { 718} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HN )) 4.400 2.500 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 8.575 ppm2 7.409 CV 1 ASSI { 719} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 8.060 ppm2 8.445 CV 1 ASSI { 722} (( segid " " and resid 103 and name HN )) ( segid " " and resid 127 and name HG1%) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11030E-02 ppm1 8.968 ppm2 1.137 CV 1 ASSI { 723} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 7.375 ppm2 6.933 CV 1 ASSI { 724} (( segid " " and resid 117 and name HN )) (( segid " " and resid 146 and name HN )) 4.100 2.100 1.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.425 ppm2 8.815 CV 1 ASSI { 726} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 7.525 ppm2 2.182 CV 1 ASSI { 729} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HB2 )) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 7.854 ppm2 1.515 CV 1 ASSI { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.900 1.900 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 7.876 ppm2 3.621 CV 1 OR { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 732} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG )) 3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 9.740 ppm2 1.447 CV 1 ASSI { 734} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 4.100 2.100 1.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 8.978 ppm2 3.961 CV 1 ASSI { 737} (( segid " " and resid 155 and name HN )) (( segid " " and resid 104 and name HN )) 4.300 2.300 1.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 8.544 ppm2 8.951 CV 1 ASSI { 738} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 4.500 2.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10442E-02 ppm1 8.545 ppm2 2.372 CV 1 ASSI { 742} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA1 )) 4.500 2.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 9.154 ppm2 3.863 CV 1 ASSI { 744} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10333E-02 ppm1 9.118 ppm2 5.041 CV 1 ASSI { 750} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HG3 )) 4.100 2.100 1.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 8.282 ppm2 2.182 CV 1 OR { 750} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 751} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG3 )) 4.100 2.100 1.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.10191E-02 ppm1 8.310 ppm2 2.207 CV 1 ASSI { 752} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.700 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10179E-02 ppm1 9.739 ppm2 2.727 CV 1 ASSI { 754} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 7.126 ppm2 4.708 CV 1 ASSI { 756} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.900 1.900 1.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 9.027 ppm2 4.709 CV 1 ASSI { 760} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) 4.500 2.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.99368E-03 ppm1 7.829 ppm2 5.054 CV 1 ASSI { 765} (( segid " " and resid 101 and name HN )) (( segid " " and resid 127 and name HN )) 3.100 1.200 1.200 peak 765 spectrum 1 weight 0.10000E+01 volume 0.98856E-03 ppm1 8.488 ppm2 9.002 CV 1 ASSI { 766} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.98727E-03 ppm1 8.863 ppm2 1.627 CV 1 ASSI { 767} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 4.500 2.500 1.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.98660E-03 ppm1 8.254 ppm2 6.926 CV 1 ASSI { 768} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.400 1.500 1.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.98561E-03 ppm1 8.968 ppm2 2.618 CV 1 ASSI { 769} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.300 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.98423E-03 ppm1 7.976 ppm2 1.114 CV 1 ASSI { 771} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.900 1.900 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.96868E-03 ppm1 9.109 ppm2 1.690 CV 1 ASSI { 772} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB3 )) 4.400 2.400 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.96781E-03 ppm1 9.062 ppm2 2.752 CV 1 ASSI { 774} (( segid " " and resid 105 and name HN )) (( segid " " and resid 124 and name HA )) 3.600 1.600 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.96431E-03 ppm1 9.110 ppm2 4.835 CV 1 ASSI { 775} (( segid " " and resid 145 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.400 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.95990E-03 ppm1 8.980 ppm2 1.427 CV 1 ASSI { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.95600E-03 ppm1 9.005 ppm2 1.663 CV 1 OR { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 778} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HA )) 3.400 3.400 2.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.95304E-03 ppm1 10.055 ppm2 4.290 CV 1 ASSI { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.400 2.400 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.94812E-03 ppm1 9.004 ppm2 1.506 CV 1 OR { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 789} (( segid " " and resid 136 and name HN )) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.93745E-03 ppm1 8.472 ppm2 3.697 CV 1 ASSI { 791} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.92945E-03 ppm1 7.123 ppm2 4.518 CV 1 ASSI { 795} (( segid " " and resid 153 and name HN )) (( segid " " and resid 105 and name HA )) 3.900 1.900 1.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.92221E-03 ppm1 9.074 ppm2 3.757 CV 1 ASSI { 796} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.92178E-03 ppm1 7.977 ppm2 1.278 CV 1 ASSI { 797} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB3 )) 4.800 2.800 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.91772E-03 ppm1 8.474 ppm2 2.476 CV 1 ASSI { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB3 )) 2.700 2.700 3.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.91032E-03 ppm1 8.159 ppm2 3.807 CV 1 OR { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 802} (( segid " " and resid 101 and name HN )) ( segid " " and resid 128 and name HG2%) 4.600 2.700 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.90902E-03 ppm1 8.487 ppm2 0.789 CV 1 ASSI { 807} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 3.400 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.90248E-03 ppm1 8.058 ppm2 9.062 CV 1 ASSI { 809} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD2%) 3.600 1.600 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.90008E-03 ppm1 8.862 ppm2 0.467 CV 1 ASSI { 811} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.89897E-03 ppm1 8.968 ppm2 2.980 CV 1 ASSI { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD1%) 2.800 2.800 3.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.89567E-03 ppm1 6.778 ppm2 0.790 CV 1 OR { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD2%) ASSI { 814} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 4.700 2.700 1.300 peak 814 spectrum 1 weight 0.10000E+01 volume 0.88870E-03 ppm1 8.363 ppm2 4.709 CV 1 ASSI { 817} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB3 )) 5.700 4.000 0.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.87814E-03 ppm1 8.244 ppm2 2.852 CV 1 ASSI { 818} (( segid " " and resid 107 and name HN )) (( segid " " and resid 152 and name HA )) 4.400 2.400 1.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.87739E-03 ppm1 7.374 ppm2 5.045 CV 1 ASSI { 820} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.300 2.300 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.87424E-03 ppm1 8.488 ppm2 8.696 CV 1 ASSI { 822} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.400 2.500 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.86873E-03 ppm1 8.679 ppm2 1.783 CV 1 ASSI { 827} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.85132E-03 ppm1 7.501 ppm2 8.605 CV 1 ASSI { 830} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.900 1.900 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.84518E-03 ppm1 8.542 ppm2 1.678 CV 1 ASSI { 832} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HA )) 4.800 2.900 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.83896E-03 ppm1 10.056 ppm2 5.219 CV 1 ASSI { 834} (( segid " " and resid 139 and name HN )) (( segid " " and resid 127 and name HA )) 3.800 1.800 1.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.83589E-03 ppm1 8.922 ppm2 4.146 CV 1 ASSI { 835} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.83486E-03 ppm1 8.254 ppm2 7.364 CV 1 ASSI { 846} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.600 1.600 1.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.82128E-03 ppm1 8.247 ppm2 7.072 CV 1 ASSI { 849} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.81513E-03 ppm1 7.830 ppm2 4.347 CV 1 ASSI { 851} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.400 2.500 1.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.81305E-03 ppm1 8.689 ppm2 8.963 CV 1 ASSI { 853} (( segid " " and resid 103 and name HN )) (( segid " " and resid 125 and name HB )) 3.300 1.400 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.80844E-03 ppm1 8.971 ppm2 1.283 CV 1 ASSI { 855} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.80564E-03 ppm1 8.472 ppm2 2.665 CV 1 ASSI { 858} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.100 2.100 1.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.79623E-03 ppm1 8.442 ppm2 1.721 CV 1 ASSI { 859} (( segid " " and resid 135 and name HN )) (( segid " " and resid 130 and name HB3 )) 4.500 2.600 1.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 8.358 ppm2 1.715 CV 1 ASSI { 864} (( segid " " and resid 104 and name HN )) (( segid " " and resid 154 and name HA )) 4.800 2.800 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.79044E-03 ppm1 8.972 ppm2 4.350 CV 1 ASSI { 867} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.77910E-03 ppm1 9.118 ppm2 2.987 CV 1 ASSI { 869} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.400 2.400 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.77697E-03 ppm1 8.472 ppm2 2.996 CV 1 ASSI { 870} (( segid " " and resid 138 and name HN )) ( segid " " and resid 127 and name HG1%) 3.500 1.500 1.500 peak 870 spectrum 1 weight 0.10000E+01 volume 0.77587E-03 ppm1 9.532 ppm2 1.120 CV 1 ASSI { 878} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 149 and name HB3 )) 3.900 1.900 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.76811E-03 ppm1 10.055 ppm2 2.182 CV 1 ASSI { 885} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.400 2.500 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.75488E-03 ppm1 8.138 ppm2 2.013 CV 1 ASSI { 890} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.500 2.500 1.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.74768E-03 ppm1 7.527 ppm2 1.198 CV 1 ASSI { 894} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.74307E-03 ppm1 8.864 ppm2 2.874 CV 1 ASSI { 900} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HG )) 4.400 2.500 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.72901E-03 ppm1 8.597 ppm2 1.850 CV 1 ASSI { 902} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.72692E-03 ppm1 8.343 ppm2 7.463 CV 1 ASSI { 906} (( segid " " and resid 139 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.400 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.71944E-03 ppm1 8.923 ppm2 1.126 CV 1 ASSI { 909} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) 4.200 2.300 1.800 peak 909 spectrum 1 weight 0.10000E+01 volume 0.71164E-03 ppm1 9.874 ppm2 2.653 CV 1 ASSI { 913} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG3 )) 2.900 2.900 3.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.70022E-03 ppm1 9.007 ppm2 2.209 CV 1 ASSI { 918} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HB )) 4.900 3.000 1.100 peak 918 spectrum 1 weight 0.10000E+01 volume 0.69258E-03 ppm1 8.239 ppm2 1.794 CV 1 ASSI { 919} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.69164E-03 ppm1 8.430 ppm2 7.400 CV 1 ASSI { 922} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB2 )) 4.600 2.700 1.400 peak 922 spectrum 1 weight 0.10000E+01 volume 0.68994E-03 ppm1 7.578 ppm2 1.321 CV 1 OR { 922} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB3 )) ASSI { 925} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HA )) 4.500 2.500 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.68624E-03 ppm1 8.158 ppm2 4.561 CV 1 ASSI { 930} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.67813E-03 ppm1 7.875 ppm2 8.852 CV 1 ASSI { 937} (( segid " " and resid 153 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.67218E-03 ppm1 9.071 ppm2 2.617 CV 1 ASSI { 940} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.67175E-03 ppm1 9.061 ppm2 2.346 CV 1 ASSI { 941} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HN )) 5.400 3.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.67132E-03 ppm1 9.111 ppm2 8.447 CV 1 ASSI { 942} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HB3 )) 4.500 2.500 1.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.66852E-03 ppm1 8.158 ppm2 2.599 CV 1 ASSI { 944} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HA )) 4.100 2.100 1.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.66789E-03 ppm1 7.579 ppm2 4.205 CV 1 ASSI { 947} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.200 0.600 0.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.347 ppm2 1.801 CV 1 ASSI { 950} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 133 and name HG2 )) 4.100 2.100 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.66281E-03 ppm1 9.876 ppm2 2.178 CV 1 OR { 950} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 133 and name HG3 )) ASSI { 952} (( segid " " and resid 135 and name HN )) ( segid " " and resid 128 and name HG1%) 4.200 2.200 1.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.66222E-03 ppm1 8.364 ppm2 0.844 CV 1 ASSI { 955} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD21)) 4.900 3.000 1.100 peak 955 spectrum 1 weight 0.10000E+01 volume 0.66092E-03 ppm1 8.362 ppm2 7.319 CV 1 ASSI { 957} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.800 2.800 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.65974E-03 ppm1 9.739 ppm2 1.175 CV 1 ASSI { 958} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 4.600 2.600 1.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.65824E-03 ppm1 8.759 ppm2 7.072 CV 1 ASSI { 959} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.300 1.400 1.400 peak 959 spectrum 1 weight 0.10000E+01 volume 0.65769E-03 ppm1 7.545 ppm2 2.643 CV 1 ASSI { 961} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HA )) 4.400 2.400 1.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.65356E-03 ppm1 8.244 ppm2 5.219 CV 1 ASSI { 963} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HA )) 4.600 2.700 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.65206E-03 ppm1 9.122 ppm2 4.785 CV 1 ASSI { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.800 2.900 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.65052E-03 ppm1 8.920 ppm2 1.518 CV 1 OR { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 966} (( segid " " and resid 145 and name HN )) (( segid " " and resid 137 and name HA )) 4.300 2.300 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.64832E-03 ppm1 8.979 ppm2 5.204 CV 1 ASSI { 969} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB2 )) 4.200 2.200 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.64647E-03 ppm1 7.438 ppm2 2.000 CV 1 ASSI { 971} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HG1%) 4.500 2.600 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.64261E-03 ppm1 9.153 ppm2 1.142 CV 1 ASSI { 975} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.400 2.500 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.64001E-03 ppm1 8.362 ppm2 2.196 CV 1 ASSI { 978} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 3.600 1.600 1.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.63371E-03 ppm1 8.923 ppm2 8.536 CV 1 ASSI { 984} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.800 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.346 ppm2 1.702 CV 1 ASSI { 989} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) 4.900 3.000 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.62158E-03 ppm1 9.741 ppm2 1.765 CV 1 ASSI { 992} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.100 2.100 1.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.61859E-03 ppm1 8.472 ppm2 2.725 CV 1 ASSI { 995} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 4.700 2.700 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.61733E-03 ppm1 8.922 ppm2 4.294 CV 1 ASSI { 997} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HA )) 3.900 1.900 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.61579E-03 ppm1 7.343 ppm2 4.514 CV 1 ASSI { 998} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 132 and name HB2 )) 4.600 2.700 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.61382E-03 ppm1 9.876 ppm2 2.018 CV 1 ASSI { 999} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.61359E-03 ppm1 7.444 ppm2 4.694 CV 1 ASSI { 1001} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HB3 )) 4.400 2.500 1.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.61189E-03 ppm1 8.348 ppm2 2.878 CV 1 ASSI { 1004} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 133 and name HA )) 2.900 2.900 3.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.60894E-03 ppm1 10.055 ppm2 4.054 CV 1 ASSI { 1007} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.60354E-03 ppm1 7.829 ppm2 2.720 CV 1 ASSI { 1010} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.600 2.600 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 8.350 ppm2 1.513 CV 1 ASSI { 1013} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB2 )) 3.500 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.59823E-03 ppm1 7.575 ppm2 2.002 CV 1 ASSI { 1015} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 4.300 2.300 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.59382E-03 ppm1 8.675 ppm2 -0.170 CV 1 ASSI { 1021} (( segid " " and resid 152 and name HN )) ( segid " " and resid 109 and name HE% ) 2.900 2.900 3.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.58759E-03 ppm1 7.124 ppm2 6.874 CV 1 ASSI { 1028} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG3 )) 4.700 2.700 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.57759E-03 ppm1 8.540 ppm2 1.531 CV 1 OR { 1028} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 1032} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.600 1.600 1.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.57397E-03 ppm1 7.392 ppm2 8.551 CV 1 ASSI { 1033} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.400 2.400 1.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.57381E-03 ppm1 8.977 ppm2 8.820 CV 1 ASSI { 1037} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 4.300 2.300 1.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.56956E-03 ppm1 8.604 ppm2 8.246 CV 1 ASSI { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD1%) 2.900 2.900 3.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.56846E-03 ppm1 7.579 ppm2 0.784 CV 1 OR { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD2%) ASSI { 1044} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.200 2.200 1.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.55845E-03 ppm1 8.978 ppm2 2.063 CV 1 ASSI { 1045} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.55837E-03 ppm1 8.921 ppm2 9.535 CV 1 ASSI { 1047} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.55585E-03 ppm1 7.703 ppm2 4.362 CV 1 ASSI { 1052} (( segid " " and resid 138 and name HN )) ( segid " " and resid 125 and name HG2%) 4.700 2.800 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.55184E-03 ppm1 9.533 ppm2 0.422 CV 1 ASSI { 1058} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.54601E-03 ppm1 8.427 ppm2 7.869 CV 1 ASSI { 1061} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.200 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.278 ppm2 1.784 CV 1 ASSI { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB3 )) 5.800 4.100 0.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.53959E-03 ppm1 8.968 ppm2 1.963 CV 1 OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HG2 )) OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 1072} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.400 2.400 1.600 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.53372E-03 ppm1 8.362 ppm2 1.595 CV 1 ASSI { 1076} (( segid " " and resid 128 and name HN )) (( segid " " and resid 139 and name HN )) 5.600 3.900 0.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.52805E-03 ppm1 9.154 ppm2 8.932 CV 1 ASSI { 1080} (( segid " " and resid 101 and name HN )) ( segid " " and resid 127 and name HG1%) 5.200 3.300 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.52423E-03 ppm1 8.487 ppm2 1.129 CV 1 ASSI { 1082} (( segid " " and resid 107 and name HN )) (( segid " " and resid 151 and name HA )) 4.300 2.400 1.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.52344E-03 ppm1 7.376 ppm2 4.720 CV 1 ASSI { 1085} (( segid " " and resid 117 and name HN )) ( segid " " and resid 109 and name HE% ) 4.800 2.800 1.200 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.52277E-03 ppm1 8.429 ppm2 6.862 CV 1 ASSI { 1086} (( segid " " and resid 138 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.52262E-03 ppm1 9.532 ppm2 5.449 CV 1 ASSI { 1090} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HA )) 5.600 4.000 0.400 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.51738E-03 ppm1 6.778 ppm2 4.225 CV 1 ASSI { 1091} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.800 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.346 ppm2 1.749 CV 1 ASSI { 1095} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.300 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.545 ppm2 4.466 CV 1 ASSI { 1098} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 134 and name HA2 )) 4.400 2.400 1.600 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.51053E-03 ppm1 9.876 ppm2 3.951 CV 1 ASSI { 1100} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.700 2.800 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.51001E-03 ppm1 8.245 ppm2 1.518 CV 1 ASSI { 1112} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HA )) 4.900 3.100 1.100 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.50265E-03 ppm1 7.080 ppm2 4.367 CV 1 ASSI { 1124} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.100 1.200 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.677 ppm2 8.303 CV 1 ASSI { 1125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.677 ppm2 7.971 CV 1 ASSI { 1126} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.400 1.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 7.973 ppm2 -0.166 CV 1 ASSI { 1130} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.400 0.700 0.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.349 ppm2 8.248 CV 1 ASSI { 1131} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.247 ppm2 8.918 CV 1 ASSI { 1132} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HE1 )) 2.600 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.784 ppm2 10.055 CV 1 ASSI { 1136} (( segid " " and resid 137 and name HN )) (( segid " " and resid 128 and name HN )) 2.200 0.600 0.600 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.758 ppm2 9.136 CV 1 ASSI { 1137} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 2.700 2.700 3.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.759 ppm2 9.520 CV 1 ASSI { 1138} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.739 ppm2 9.127 CV 1 ASSI { 1140} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HE3 )) 2.900 2.900 3.100 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.121 ppm2 6.478 CV 1 ASSI { 1141} (( segid " " and resid 147 and name HN )) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.122 ppm2 9.541 CV 1 ASSI { 1142} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.900 2.900 3.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.121 ppm2 8.802 CV 1 ASSI { 1144} (( segid " " and resid 119 and name HN )) (( segid " " and resid 108 and name HA )) 3.200 3.200 2.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.862 ppm2 4.096 CV 1 ASSI { 1146} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.005 ppm2 7.981 CV 1 ASSI { 1147} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 2.900 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.155 ppm2 8.983 CV 1 ASSI { 1148} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.534 ppm2 5.237 CV 1 ASSI { 1149} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 9.153 ppm2 4.187 CV 1 ASSI { 1150} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.310 ppm2 4.835 CV 1 ASSI { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD1%) 2.600 0.900 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 10.054 ppm2 0.748 CV 1 OR { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD2%) ASSI { 1153} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HE% ) 3.100 3.100 2.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 7.500 ppm2 6.865 CV 1 ASSI { 1154} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.244 ppm2 4.294 CV 1 ASSI { 1155} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.700 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.244 ppm2 3.991 CV 1 ASSI { 1157} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA2 )) 2.900 1.100 1.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.785 ppm2 3.952 CV 1 ASSI { 1159} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.344 ppm2 1.724 CV 1 ASSI { 1160} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 3.100 3.100 2.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.327 ppm2 3.990 CV 1 ASSI { 1161} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.200 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.323 ppm2 2.002 CV 1 ASSI { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.489 ppm2 1.676 CV 1 OR { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.486 ppm2 4.463 CV 1 ASSI { 1167} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.691 ppm2 1.585 CV 1 ASSI { 1168} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.975 ppm2 1.697 CV 1 ASSI { 1170} (( segid " " and resid 105 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.111 ppm2 2.759 CV 1 ASSI { 1172} (( segid " " and resid 105 and name HN )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.110 ppm2 8.670 CV 1 ASSI { 1174} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HB )) 3.200 1.200 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.075 ppm2 1.823 CV 1 ASSI { 1175} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 3.200 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.074 ppm2 2.163 CV 1 ASSI { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.100 3.100 2.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.599 ppm2 1.320 CV 1 OR { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 1177} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD2%) 3.500 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.598 ppm2 0.466 CV 1 ASSI { 1179} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 7.500 ppm2 4.701 CV 1 ASSI { 1180} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.026 ppm2 2.220 CV 1 ASSI { 1181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.700 0.700 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.026 ppm2 2.013 CV 1 ASSI { 1182} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.577 ppm2 2.820 CV 1 ASSI { 1183} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.476 ppm2 4.503 CV 1 ASSI { 1184} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.575 ppm2 2.613 CV 1 ASSI { 1185} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.300 1.300 1.300 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.576 ppm2 2.720 CV 1 ASSI { 1186} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.475 ppm2 2.622 CV 1 ASSI { 1189} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HD2%) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 7.875 ppm2 0.466 CV 1 ASSI { 1190} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.862 ppm2 1.936 CV 1 ASSI { 1191} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.863 ppm2 1.786 CV 1 ASSI { 1194} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.062 ppm2 4.563 CV 1 ASSI { 1196} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.700 0.900 0.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.060 ppm2 1.771 CV 1 ASSI { 1197} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.600 0.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 9.062 ppm2 1.612 CV 1 ASSI { 1198} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.68356E-02 ppm1 8.060 ppm2 1.614 CV 1 ASSI { 1199} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 8.143 ppm2 1.617 CV 1 ASSI { 1200} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 8.141 ppm2 4.446 CV 1 ASSI { 1203} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) 2.500 0.800 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 8.312 ppm2 1.783 CV 1 ASSI { 1204} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 2.700 0.900 0.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 9.000 ppm2 0.416 CV 1 ASSI { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.600 1.600 1.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 9.006 ppm2 1.756 CV 1 OR { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1206} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB )) 3.000 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.68396E-02 ppm1 9.006 ppm2 1.923 CV 1 ASSI { 1208} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.345 ppm2 4.290 CV 1 ASSI { 1210} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.245 ppm2 2.233 CV 1 ASSI { 1211} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.600 0.800 0.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.244 ppm2 2.005 CV 1 ASSI { 1212} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.784 ppm2 7.054 CV 1 ASSI { 1213} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB3 )) 2.600 0.800 0.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.912 ppm2 2.005 CV 1 ASSI { 1214} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.400 1.500 1.500 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.912 ppm2 1.960 CV 1 ASSI { 1215} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.785 ppm2 1.959 CV 1 ASSI { 1216} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG1%) 2.700 2.700 3.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.913 ppm2 0.857 CV 1 ASSI { 1217} (( segid " " and resid 136 and name HN )) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.471 ppm2 6.838 CV 1 ASSI { 1219} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.363 ppm2 4.789 CV 1 ASSI { 1220} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.473 ppm2 2.839 CV 1 ASSI { 1221} (( segid " " and resid 149 and name HN )) (( segid " " and resid 136 and name HN )) 2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 7.526 ppm2 8.470 CV 1 ASSI { 1223} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 2.700 2.700 3.300 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.759 ppm2 8.467 CV 1 ASSI { 1225} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.759 ppm2 5.183 CV 1 ASSI { 1228} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 9.129 ppm2 8.454 CV 1 ASSI { 1230} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.200 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.923 ppm2 0.731 CV 1 ASSI { 1231} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.473 ppm2 0.841 CV 1 ASSI { 1236} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.400 2.400 3.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.811 ppm2 2.050 CV 1 ASSI { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.500 1.500 1.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.811 ppm2 1.749 CV 1 OR { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 1238} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.900 2.900 3.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 9.119 ppm2 2.883 CV 1 ASSI { 1239} (( segid " " and resid 147 and name HN )) ( segid " " and resid 128 and name HG1%) 1.900 1.900 4.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 9.121 ppm2 0.821 CV 1 ASSI { 1240} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 9.121 ppm2 1.972 CV 1 ASSI { 1241} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.300 0.700 0.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 7.524 ppm2 2.649 CV 1 ASSI { 1242} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 2.700 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.363 ppm2 7.110 CV 1 ASSI { 1244} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 7.545 ppm2 2.558 CV 1 ASSI { 1245} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.200 1.300 1.300 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 8.363 ppm2 2.913 CV 1 ASSI { 1247} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 7.126 ppm2 2.913 CV 1 ASSI { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.900 1.100 1.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.68644E-02 ppm1 9.072 ppm2 1.704 CV 1 OR { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 1251} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.000 0.500 0.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.546 ppm2 2.973 CV 1 ASSI { 1252} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB3 )) 1.900 1.900 4.100 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.454 ppm2 2.122 CV 1 ASSI { 1253} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.454 ppm2 4.445 CV 1 ASSI { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.535 ppm2 3.853 CV 1 OR { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.199 ppm2 3.820 CV 1 OR { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.600 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.536 ppm2 3.820 CV 1 OR { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1258} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.310 ppm2 4.395 CV 1 ASSI { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB3 )) 3.200 3.200 2.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.309 ppm2 2.615 CV 1 OR { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.310 ppm2 4.257 CV 1 ASSI { 1261} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.198 ppm2 4.256 CV 1 ASSI { 1262} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.000 1.100 1.100 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.198 ppm2 2.050 CV 1 ASSI { 1263} (( segid " " and resid 162 and name HN )) (( segid " " and resid 156 and name HB2 )) 1.900 1.900 4.100 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.158 ppm2 3.853 CV 1 OR { 1263} (( segid " " and resid 162 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 1264} (( segid " " and resid 162 and name HN )) (( segid " " and resid 158 and name HG3 )) 2.700 2.700 3.300 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.158 ppm2 2.208 CV 1 ASSI { 1265} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.000 1.100 1.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.159 ppm2 1.880 CV 1 ASSI { 1267} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.600 2.600 3.400 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.239 ppm2 1.996 CV 1 ASSI { 1268} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.159 ppm2 4.227 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.158 ppm2 1.511 CV 1 ASSI { 1270} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.472 ppm2 7.078 CV 1 ASSI { 1271} (( segid " " and resid 151 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 7.547 ppm2 6.866 CV 1 ASSI { 1272} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 2.900 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 7.830 ppm2 9.723 CV 1 ASSI { 1273} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 9.875 ppm2 8.357 CV 1 ASSI { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.300 3.300 2.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.472 ppm2 1.756 CV 1 OR { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1276} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB3 )) 3.700 1.700 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 6.778 ppm2 2.207 CV 1 ASSI { 1277} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB2 )) 3.000 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 6.778 ppm2 2.003 CV 1 ASSI { 1279} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB3 )) 3.200 1.200 1.200 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 6.778 ppm2 1.319 CV 1 OR { 1279} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB2 )) ASSI { 1280} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HB3 )) 2.900 2.900 3.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 7.702 ppm2 1.765 CV 1 ASSI { 1} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.15135E-01 ppm1 1.963 ppm2 4.165 CV 1 ASSI { 9} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) 2.100 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.15019E-01 ppm1 0.779 ppm2 2.875 CV 1 ASSI { 14} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 127 and name HA )) 2.100 0.500 0.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.15019E-01 ppm1 3.846 ppm2 4.122 CV 1 ASSI { 15} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 147 and name HD% ) 2.600 2.600 3.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15019E-01 ppm1 5.224 ppm2 6.859 CV 1 ASSI { 25} (( segid " " and resid 144 and name HB )) (( segid " " and resid 139 and name HA )) 2.800 2.800 3.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 3.939 ppm2 5.018 CV 1 ASSI { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD2%) 2.100 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 1.510 ppm2 0.727 CV 1 OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD1%) OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD2%) OR { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD1%) ASSI { 29} (( segid " " and resid 162 and name HA )) ( segid " " and resid 164 and name HD1%) 2.500 2.500 3.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 4.199 ppm2 0.733 CV 1 ASSI { 32} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HB2 )) 1.800 0.400 0.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 1.601 ppm2 1.473 CV 1 ASSI { 37} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 -0.191 ppm2 4.272 CV 1 ASSI { 43} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.800 0.400 0.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 2.190 ppm2 1.979 CV 1 ASSI { 49} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HB2 )) 1.700 0.300 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 1.804 ppm2 1.683 CV 1 ASSI { 50} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 4.185 ppm2 1.988 CV 1 ASSI { 55} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HB2 )) 1.800 0.400 0.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 2.201 ppm2 1.990 CV 1 ASSI { 58} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 1.939 ppm2 5.347 CV 1 OR { 58} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 69} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) 2.100 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 2.001 ppm2 4.036 CV 1 OR { 69} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) ASSI { 73} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 1.900 1.900 4.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 1.906 ppm2 5.164 CV 1 ASSI { 135} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 149 and name HB2 )) 1.400 1.400 4.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.16387E+00 ppm1 1.603 ppm2 1.599 CV 1 OR { 135} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 149 and name HB2 )) ASSI { 157} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.400 0.200 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.89031E-01 ppm1 1.908 ppm2 2.005 CV 1 ASSI { 173} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 1.500 0.300 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.64296E-01 ppm1 2.025 ppm2 1.919 CV 1 OR { 173} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 137 and name HG2 )) ASSI { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 1.800 0.400 0.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.34182E-01 ppm1 1.662 ppm2 1.510 CV 1 OR { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) ASSI { 210} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 152 and name HG13)) 2.300 2.300 3.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.32933E-01 ppm1 1.511 ppm2 1.412 CV 1 OR { 210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 152 and name HG13)) ASSI { 216} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.700 0.400 0.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.29824E-01 ppm1 2.592 ppm2 2.702 CV 1 ASSI { 221} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HG13)) 1.600 0.300 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.28718E-01 ppm1 1.052 ppm2 1.323 CV 1 ASSI { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) 1.900 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27013E-01 ppm1 1.977 ppm2 2.194 CV 1 OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) OR { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) ASSI { 227} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HG )) 1.900 0.400 0.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.26184E-01 ppm1 0.784 ppm2 1.464 CV 1 OR { 227} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HG )) ASSI { 240} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HG2 )) 1.700 0.300 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.24053E-01 ppm1 2.504 ppm2 2.319 CV 1 ASSI { 247} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 152 and name HG12)) 1.500 1.500 4.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.22720E-01 ppm1 1.594 ppm2 1.300 CV 1 OR { 247} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 152 and name HG12)) ASSI { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG2 )) 1.900 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.22376E-01 ppm1 1.559 ppm2 1.267 CV 1 OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG3 )) ASSI { 252} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HA )) 2.000 0.500 0.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.22120E-01 ppm1 3.796 ppm2 4.367 CV 1 OR { 252} (( segid " " and resid 159 and name HB3 )) (( segid " " and resid 159 and name HA )) ASSI { 261} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.000 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.20900E-01 ppm1 1.696 ppm2 0.706 CV 1 ASSI { 263} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 127 and name HG1%) 1.700 0.300 0.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.20773E-01 ppm1 0.755 ppm2 1.131 CV 1 ASSI { 266} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HG2%) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.20583E-01 ppm1 3.938 ppm2 1.093 CV 1 ASSI { 268} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.800 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20206E-01 ppm1 2.973 ppm2 2.704 CV 1 ASSI { 273} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) 2.000 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.19652E-01 ppm1 1.697 ppm2 0.787 CV 1 ASSI { 281} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.000 0.500 0.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.19135E-01 ppm1 4.180 ppm2 0.844 CV 1 ASSI { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB2 )) 2.000 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.18239E-01 ppm1 0.829 ppm2 1.741 CV 1 OR { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB3 )) ASSI { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD2%) 1.900 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17870E-01 ppm1 1.483 ppm2 0.740 CV 1 OR { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) ASSI { 301} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HB2 )) 2.200 2.200 3.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17206E-01 ppm1 1.913 ppm2 1.799 CV 1 ASSI { 302} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HA )) 2.000 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.15416E-01 ppm1 0.688 ppm2 3.743 CV 1 ASSI { 313} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB2 )) 1.900 0.400 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16203E-01 ppm1 2.884 ppm2 1.600 CV 1 OR { 313} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 315} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 2.100 0.500 0.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.16060E-01 ppm1 3.913 ppm2 4.075 CV 1 OR { 315} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) ASSI { 336} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.400 0.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.14768E-01 ppm1 2.798 ppm2 2.661 CV 1 ASSI { 343} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.700 0.400 0.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.14112E-01 ppm1 2.513 ppm2 2.621 CV 1 ASSI { 344} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 2.300 3.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.14101E-01 ppm1 2.628 ppm2 2.511 CV 1 ASSI { 354} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HB3 )) 1.800 0.400 0.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13635E-01 ppm1 1.707 ppm2 1.837 CV 1 ASSI { 358} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HB )) 1.800 0.400 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.15416E-01 ppm1 0.689 ppm2 2.136 CV 1 ASSI { 366} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.200 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.13121E-01 ppm1 2.884 ppm2 0.709 CV 1 ASSI { 371} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HG12)) 2.100 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12769E-01 ppm1 0.737 ppm2 1.047 CV 1 ASSI { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD3 )) 2.100 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12618E-01 ppm1 2.806 ppm2 1.545 CV 1 OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD3 )) OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD2 )) OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 376} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.12611E-01 ppm1 0.753 ppm2 4.166 CV 1 ASSI { 384} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HB2 )) 1.800 0.400 0.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12109E-01 ppm1 2.253 ppm2 1.994 CV 1 ASSI { 387} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.800 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.12042E-01 ppm1 1.250 ppm2 1.414 CV 1 ASSI { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12012E-01 ppm1 1.099 ppm2 0.662 CV 1 OR { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD2%) ASSI { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) 2.300 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.11971E-01 ppm1 4.011 ppm2 0.763 CV 1 OR { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) ASSI { 392} (( segid " " and resid 129 and name HA1 )) (( segid " " and resid 129 and name HA2 )) 1.800 0.400 0.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.11944E-01 ppm1 3.711 ppm2 4.001 CV 1 ASSI { 397} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 1.800 0.400 0.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11845E-01 ppm1 1.601 ppm2 1.748 CV 1 ASSI { 400} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 127 and name HA )) 1.700 1.700 4.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.11763E-01 ppm1 1.100 ppm2 4.160 CV 1 ASSI { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 1.693 ppm2 1.281 CV 1 OR { 403} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD1%) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11459E-01 ppm1 4.454 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) ASSI { 412} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 140 and name HD2%) 2.000 0.500 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.11235E-01 ppm1 0.450 ppm2 0.856 CV 1 OR { 412} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 140 and name HD1%) ASSI { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 1.900 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.11164E-01 ppm1 1.996 ppm2 2.147 CV 1 OR { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.100 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.11163E-01 ppm1 2.246 ppm2 2.150 CV 1 OR { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG2 )) ASSI { 420} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HA )) 2.200 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.11111E-01 ppm1 0.704 ppm2 5.019 CV 1 ASSI { 428} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 134 and name HA1 )) 2.000 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10941E-01 ppm1 3.922 ppm2 3.522 CV 1 ASSI { 430} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.000 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10913E-01 ppm1 0.401 ppm2 -0.190 CV 1 ASSI { 432} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.300 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.10874E-01 ppm1 1.859 ppm2 4.170 CV 1 ASSI { 445} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 2.000 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10620E-01 ppm1 4.091 ppm2 3.468 CV 1 ASSI { 446} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HG12)) 1.900 0.400 0.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.10620E-01 ppm1 1.559 ppm2 1.115 CV 1 ASSI { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG2%) 2.300 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.10481E-01 ppm1 3.962 ppm2 0.820 CV 1 OR { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG1%) ASSI { 451} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.500 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.10462E-01 ppm1 1.094 ppm2 0.737 CV 1 ASSI { 452} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10459E-01 ppm1 2.202 ppm2 4.038 CV 1 OR { 452} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) ASSI { 454} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 117 and name HB2 )) 2.600 2.600 3.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.10348E-01 ppm1 2.883 ppm2 1.300 CV 1 OR { 454} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 117 and name HB2 )) ASSI { 458} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.600 2.600 3.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.10161E-01 ppm1 2.260 ppm2 4.228 CV 1 ASSI { 462} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 2.100 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10037E-01 ppm1 2.674 ppm2 2.793 CV 1 ASSI { 474} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 122 and name HA2 )) 2.000 0.500 0.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.98809E-02 ppm1 3.410 ppm2 4.413 CV 1 ASSI { 482} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.95769E-02 ppm1 1.479 ppm2 4.205 CV 1 ASSI { 483} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HG13)) 2.200 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.95690E-02 ppm1 0.735 ppm2 1.322 CV 1 ASSI { 491} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 119 and name HD2%) 1.900 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.94470E-02 ppm1 -0.190 ppm2 0.452 CV 1 ASSI { 502} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 110 and name HD2%) 2.300 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.91835E-02 ppm1 1.296 ppm2 0.784 CV 1 OR { 502} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 110 and name HD1%) OR { 502} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 110 and name HD2%) OR { 502} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 110 and name HD1%) ASSI { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD1%) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.91358E-02 ppm1 1.480 ppm2 0.787 CV 1 OR { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD2%) ASSI { 508} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.300 0.600 0.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.89831E-02 ppm1 2.972 ppm2 4.338 CV 1 ASSI { 510} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.600 2.600 3.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.89716E-02 ppm1 0.714 ppm2 1.405 CV 1 ASSI { 511} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB2 )) 2.400 2.400 3.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 1.098 ppm2 1.965 CV 1 ASSI { 519} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.87913E-02 ppm1 2.712 ppm2 4.477 CV 1 ASSI { 521} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.87842E-02 ppm1 1.093 ppm2 5.448 CV 1 ASSI { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG3 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.85640E-02 ppm1 2.807 ppm2 1.256 CV 1 OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 533} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) 2.100 0.500 0.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.85436E-02 ppm1 1.261 ppm2 0.397 CV 1 ASSI { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.84085E-02 ppm1 4.453 ppm2 1.499 CV 1 OR { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD2%) 2.400 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.83805E-02 ppm1 1.600 ppm2 0.790 CV 1 OR { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD1%) ASSI { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD2%) 2.200 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.82392E-02 ppm1 1.428 ppm2 0.830 CV 1 OR { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD1%) ASSI { 557} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.400 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.81049E-02 ppm1 0.770 ppm2 4.010 CV 1 ASSI { 558} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.80442E-02 ppm1 2.590 ppm2 4.478 CV 1 ASSI { 561} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 1.700 0.400 0.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.79257E-02 ppm1 2.941 ppm2 2.597 CV 1 ASSI { 565} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) 2.400 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.78520E-02 ppm1 1.767 ppm2 4.009 CV 1 ASSI { 568} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG13)) 2.300 0.700 0.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.78111E-02 ppm1 0.717 ppm2 1.570 CV 1 ASSI { 570} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.77701E-02 ppm1 1.687 ppm2 4.563 CV 1 OR { 570} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) ASSI { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD2%) 2.500 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.77579E-02 ppm1 3.918 ppm2 0.791 CV 1 OR { 571} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 110 and name HD2%) OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD1%) ASSI { 572} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB2 )) 2.300 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.77571E-02 ppm1 1.252 ppm2 1.688 CV 1 ASSI { 573} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG13)) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.77532E-02 ppm1 0.755 ppm2 1.572 CV 1 ASSI { 578} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HG12)) 1.900 0.400 0.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.75559E-02 ppm1 1.087 ppm2 0.475 CV 1 ASSI { 581} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG2 )) 2.100 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.75405E-02 ppm1 2.980 ppm2 1.243 CV 1 OR { 581} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) 2.400 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.75039E-02 ppm1 1.687 ppm2 1.542 CV 1 OR { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) OR { 585} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 594} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB3 )) 2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.74007E-02 ppm1 4.257 ppm2 1.769 CV 1 ASSI { 596} (( segid " " and resid 100 and name HA )) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.73389E-02 ppm1 4.396 ppm2 4.163 CV 1 ASSI { 598} (( segid " " and resid 127 and name HB )) ( segid " " and resid 127 and name HG1%) 2.000 0.500 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.72877E-02 ppm1 1.941 ppm2 1.131 CV 1 ASSI { 605} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HG2 )) 1.900 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.71578E-02 ppm1 2.459 ppm2 1.887 CV 1 ASSI { 608} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG1%) 2.600 0.800 0.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.70601E-02 ppm1 5.016 ppm2 0.819 CV 1 ASSI { 612} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG3 )) 2.500 2.500 3.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15416E-01 ppm1 0.690 ppm2 2.367 CV 1 ASSI { 616} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB3 )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.69140E-02 ppm1 2.504 ppm2 2.199 CV 1 ASSI { 618} (( segid " " and resid 139 and name HA )) (( segid " " and resid 144 and name HA )) 1.800 0.400 0.400 peak 618 spectrum 1 weight 0.10000E+01 volume 0.68534E-02 ppm1 5.024 ppm2 5.450 CV 1 ASSI { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.500 0.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15226E-01 ppm1 1.686 ppm2 1.256 CV 1 OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB2 )) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.68089E-02 ppm1 1.889 ppm2 1.743 CV 1 OR { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB3 )) ASSI { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HD1%) 2.400 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.67781E-02 ppm1 3.746 ppm2 0.657 CV 1 OR { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 629} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 2.900 2.900 3.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.67100E-02 ppm1 4.661 ppm2 4.657 CV 1 ASSI { 630} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 158 and name HA )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.66994E-02 ppm1 2.178 ppm2 4.257 CV 1 OR { 630} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) ASSI { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.66506E-02 ppm1 1.334 ppm2 0.758 CV 1 OR { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HG2%) ASSI { 635} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.66313E-02 ppm1 0.658 ppm2 5.034 CV 1 ASSI { 636} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.66194E-02 ppm1 1.261 ppm2 0.844 CV 1 OR { 636} (( segid " " and resid 153 and name HG3 )) ( segid " " and resid 106 and name HB% ) ASSI { 637} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HA )) 1.800 0.400 0.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.66183E-02 ppm1 5.170 ppm2 5.858 CV 1 ASSI { 638} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 125 and name HB )) 2.700 2.700 3.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.66127E-02 ppm1 1.599 ppm2 1.300 CV 1 ASSI { 647} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HA )) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.64930E-02 ppm1 2.513 ppm2 4.494 CV 1 ASSI { 654} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.300 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.64115E-02 ppm1 2.253 ppm2 4.545 CV 1 ASSI { 656} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 145 and name HA2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.63812E-02 ppm1 3.813 ppm2 4.418 CV 1 ASSI { 657} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HB )) 2.000 0.500 0.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.63721E-02 ppm1 0.869 ppm2 2.147 CV 1 ASSI { 658} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.500 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.63694E-02 ppm1 4.400 ppm2 1.618 CV 1 ASSI { 660} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG12)) 2.400 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.63627E-02 ppm1 0.718 ppm2 1.112 CV 1 ASSI { 661} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG3 )) 2.800 1.000 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.63580E-02 ppm1 2.979 ppm2 1.417 CV 1 OR { 661} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG3 )) ASSI { 664} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.400 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.63406E-02 ppm1 4.045 ppm2 1.954 CV 1 ASSI { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.600 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.63245E-02 ppm1 4.823 ppm2 0.722 CV 1 OR { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 671} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 2.600 0.800 0.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.62339E-02 ppm1 2.627 ppm2 4.494 CV 1 ASSI { 672} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.62276E-02 ppm1 4.664 ppm2 2.798 CV 1 ASSI { 673} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 127 and name HA )) 2.700 0.900 0.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.62260E-02 ppm1 0.754 ppm2 4.122 CV 1 ASSI { 676} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 127 and name HG1%) 2.100 0.500 0.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.62044E-02 ppm1 0.401 ppm2 1.131 CV 1 ASSI { 677} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.600 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.61949E-02 ppm1 3.913 ppm2 4.545 CV 1 OR { 677} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HA )) ASSI { 678} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.61894E-02 ppm1 1.997 ppm2 4.546 CV 1 ASSI { 683} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 125 and name HD1%) 2.100 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.60921E-02 ppm1 1.086 ppm2 -0.190 CV 1 ASSI { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.300 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.60906E-02 ppm1 4.773 ppm2 1.935 CV 1 OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) ASSI { 686} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG12)) 2.400 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.60862E-02 ppm1 0.770 ppm2 1.050 CV 1 ASSI { 693} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.600 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.59996E-02 ppm1 2.710 ppm2 4.337 CV 1 ASSI { 697} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB3 )) 2.400 0.700 0.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.59756E-02 ppm1 1.989 ppm2 1.802 CV 1 OR { 697} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HB3 )) ASSI { 699} (( segid " " and resid 123 and name HA )) (( segid " " and resid 119 and name HB3 )) 3.000 3.000 3.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.59618E-02 ppm1 4.397 ppm2 1.999 CV 1 ASSI { 704} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.15135E-01 ppm1 2.169 ppm2 4.158 CV 1 OR { 704} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) ASSI { 709} (( segid " " and resid 153 and name HD3 )) ( segid " " and resid 106 and name HB% ) 2.300 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.58736E-02 ppm1 1.555 ppm2 0.845 CV 1 ASSI { 710} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.58307E-02 ppm1 0.754 ppm2 4.817 CV 1 ASSI { 713} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 144 and name HA )) 3.200 1.300 1.300 peak 713 spectrum 1 weight 0.10000E+01 volume 0.58181E-02 ppm1 0.824 ppm2 5.448 CV 1 ASSI { 714} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.300 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.58090E-02 ppm1 0.400 ppm2 4.272 CV 1 ASSI { 715} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 105 and name HG1%) 2.900 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.57862E-02 ppm1 0.662 ppm2 0.858 CV 1 ASSI { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HG )) 2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.57834E-02 ppm1 1.707 ppm2 1.505 CV 1 OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB2 )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB3 )) OR { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HG )) OR { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HB2 )) ASSI { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG2 )) 2.300 0.700 0.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.57306E-02 ppm1 0.838 ppm2 2.150 CV 1 OR { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG3 )) ASSI { 723} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.56853E-02 ppm1 4.665 ppm2 2.658 CV 1 ASSI { 728} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 141 and name HB2 )) 1.900 1.900 4.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.56109E-02 ppm1 2.979 ppm2 2.754 CV 1 OR { 728} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 141 and name HB2 )) ASSI { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD1%) 2.300 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.55944E-02 ppm1 0.450 ppm2 0.676 CV 1 OR { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD2%) ASSI { 731} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB )) 2.600 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.55585E-02 ppm1 0.717 ppm2 1.773 CV 1 ASSI { 733} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.100 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.55518E-02 ppm1 0.657 ppm2 1.797 CV 1 ASSI { 736} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.55259E-02 ppm1 4.706 ppm2 2.664 CV 1 ASSI { 737} (( segid " " and resid 119 and name HA )) ( segid " " and resid 119 and name HD2%) 2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.55105E-02 ppm1 4.653 ppm2 0.449 CV 1 ASSI { 742} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.54428E-02 ppm1 1.597 ppm2 4.205 CV 1 ASSI { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD3 )) 2.600 0.800 0.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.54353E-02 ppm1 0.839 ppm2 1.542 CV 1 OR { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD2 )) ASSI { 752} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HA )) 2.500 0.800 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.54168E-02 ppm1 0.869 ppm2 3.738 CV 1 ASSI { 753} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB2 )) 2.600 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.54152E-02 ppm1 2.505 ppm2 1.988 CV 1 ASSI { 754} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HA )) 2.300 0.600 0.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.54113E-02 ppm1 5.384 ppm2 4.818 CV 1 ASSI { 756} (( segid " " and resid 106 and name HA )) ( segid " " and resid 105 and name HG2%) 2.500 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.54010E-02 ppm1 4.184 ppm2 0.706 CV 1 ASSI { 757} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG13)) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.53947E-02 ppm1 1.767 ppm2 1.325 CV 1 ASSI { 758} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) 2.700 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.53927E-02 ppm1 1.261 ppm2 -0.191 CV 1 ASSI { 762} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HD1%) 1.800 0.400 0.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.15842E-01 ppm1 1.169 ppm2 -0.190 CV 1 ASSI { 767} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.100 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.52888E-02 ppm1 1.501 ppm2 2.962 CV 1 ASSI { 770} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.400 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.51974E-02 ppm1 2.448 ppm2 1.996 CV 1 ASSI { 773} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.51746E-02 ppm1 0.821 ppm2 1.155 CV 1 OR { 773} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 784} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HA )) 3.200 1.300 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.50911E-02 ppm1 0.717 ppm2 4.816 CV 1 ASSI { 790} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HA )) 3.100 3.100 2.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.49966E-02 ppm1 4.539 ppm2 4.766 CV 1 ASSI { 796} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HA )) 1.900 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.49277E-02 ppm1 4.773 ppm2 5.346 CV 1 ASSI { 799} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.49103E-02 ppm1 4.185 ppm2 2.317 CV 1 ASSI { 802} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.49029E-02 ppm1 2.198 ppm2 2.315 CV 1 ASSI { 803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) 2.200 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.48930E-02 ppm1 0.482 ppm2 -0.191 CV 1 ASSI { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) 2.500 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.48796E-02 ppm1 4.661 ppm2 3.607 CV 1 OR { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD3 )) ASSI { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) 2.500 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.48749E-02 ppm1 1.687 ppm2 1.988 CV 1 OR { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 809} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) 2.200 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.48572E-02 ppm1 2.282 ppm2 2.902 CV 1 ASSI { 815} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG12)) 2.500 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.48170E-02 ppm1 0.754 ppm2 1.112 CV 1 ASSI { 821} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HB3 )) 2.500 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.47697E-02 ppm1 2.523 ppm2 2.058 CV 1 ASSI { 826} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.47146E-02 ppm1 4.707 ppm2 2.795 CV 1 ASSI { 827} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.47095E-02 ppm1 1.845 ppm2 4.590 CV 1 ASSI { 831} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.46689E-02 ppm1 0.836 ppm2 0.402 CV 1 ASSI { 837} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HA )) 1.900 0.400 0.400 peak 837 spectrum 1 weight 0.10000E+01 volume 0.46319E-02 ppm1 3.746 ppm2 5.035 CV 1 ASSI { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.600 0.600 peak 839 spectrum 1 weight 0.10000E+01 volume 0.46118E-02 ppm1 1.182 ppm2 0.636 CV 1 ASSI { 840} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HG2%) 2.200 2.200 3.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.15842E-01 ppm1 1.756 ppm2 0.396 CV 1 ASSI { 844} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.45634E-02 ppm1 1.933 ppm2 4.765 CV 1 OR { 844} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 846} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.15842E-01 ppm1 1.750 ppm2 -0.185 CV 1 ASSI { 851} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.900 2.900 3.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.45130E-02 ppm1 0.659 ppm2 -0.191 CV 1 ASSI { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HD1%) 2.200 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.45059E-02 ppm1 1.804 ppm2 0.658 CV 1 OR { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) ASSI { 853} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 162 and name HB3 )) 2.900 1.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.45051E-02 ppm1 0.730 ppm2 1.598 CV 1 ASSI { 856} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.400 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.44653E-02 ppm1 2.080 ppm2 4.328 CV 1 ASSI { 860} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 152 and name HD1%) 2.100 0.500 0.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.44445E-02 ppm1 2.597 ppm2 0.679 CV 1 ASSI { 863} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.44354E-02 ppm1 3.939 ppm2 5.448 CV 1 ASSI { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD2 )) 2.000 2.000 4.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.44252E-02 ppm1 2.980 ppm2 3.631 CV 1 OR { 865} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 866} (( segid " " and resid 157 and name HA1 )) (( segid " " and resid 94 and name HA )) 2.000 2.000 4.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.44248E-02 ppm1 3.868 ppm2 4.518 CV 1 OR { 866} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 94 and name HA )) ASSI { 868} (( segid " " and resid 135 and name HA )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.44153E-02 ppm1 4.778 ppm2 3.680 CV 1 ASSI { 877} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.600 0.800 0.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.43488E-02 ppm1 4.398 ppm2 2.330 CV 1 ASSI { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG3 )) 2.100 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.43385E-02 ppm1 0.045 ppm2 0.645 CV 1 OR { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 879} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.43377E-02 ppm1 1.696 ppm2 2.875 CV 1 ASSI { 886} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.100 0.500 0.500 peak 886 spectrum 1 weight 0.10000E+01 volume 0.43114E-02 ppm1 2.735 ppm2 2.324 CV 1 ASSI { 888} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HA )) 2.800 2.800 3.200 peak 888 spectrum 1 weight 0.10000E+01 volume 0.42944E-02 ppm1 4.520 ppm2 5.365 CV 1 ASSI { 889} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.42889E-02 ppm1 1.910 ppm2 4.326 CV 1 ASSI { 893} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.200 0.600 0.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.42712E-02 ppm1 2.942 ppm2 5.005 CV 1 ASSI { 896} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG13)) 3.000 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.42574E-02 ppm1 0.770 ppm2 1.326 CV 1 ASSI { 900} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HG2%) 3.000 1.100 1.100 peak 900 spectrum 1 weight 0.10000E+01 volume 0.42409E-02 ppm1 0.482 ppm2 0.399 CV 1 ASSI { 901} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) 3.100 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.42385E-02 ppm1 4.011 ppm2 0.727 CV 1 ASSI { 905} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HG13)) 2.600 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.42129E-02 ppm1 0.401 ppm2 1.087 CV 1 ASSI { 913} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 138 and name HA2 )) 2.000 0.500 0.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.41716E-02 ppm1 3.843 ppm2 5.218 CV 1 ASSI { 914} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.100 2.100 3.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.15842E-01 ppm1 1.166 ppm2 4.276 CV 1 ASSI { 915} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HB2 )) 2.200 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15135E-01 ppm1 2.171 ppm2 1.858 CV 1 OR { 915} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HB2 )) ASSI { 918} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 155 and name HD2%) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.41381E-02 ppm1 1.685 ppm2 0.727 CV 1 OR { 918} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 155 and name HD2%) ASSI { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) 2.700 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.41046E-02 ppm1 4.524 ppm2 1.938 CV 1 OR { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) ASSI { 923} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 144 and name HA )) 2.500 0.800 0.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.40983E-02 ppm1 0.704 ppm2 5.449 CV 1 ASSI { 924} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.800 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.40857E-02 ppm1 4.543 ppm2 1.596 CV 1 ASSI { 925} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.40826E-02 ppm1 0.730 ppm2 1.761 CV 1 ASSI { 926} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG12)) 2.300 0.600 0.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.40684E-02 ppm1 0.659 ppm2 1.277 CV 1 ASSI { 930} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 2.100 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.40530E-02 ppm1 1.255 ppm2 1.414 CV 1 ASSI { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) 2.800 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 5.382 ppm2 1.986 CV 1 OR { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 936} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HA )) 3.200 1.300 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.39940E-02 ppm1 4.284 ppm2 5.203 CV 1 ASSI { 940} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 146 and name HB3 )) 3.200 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 1.731 ppm2 2.051 CV 1 OR { 940} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 146 and name HB3 )) ASSI { 942} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.600 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.39487E-02 ppm1 2.200 ppm2 4.184 CV 1 ASSI { 944} (( segid " " and resid 156 and name HA )) (( segid " " and resid 129 and name HA2 )) 3.000 3.000 3.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.39324E-02 ppm1 4.438 ppm2 3.998 CV 1 ASSI { 949} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.39015E-02 ppm1 0.689 ppm2 1.446 CV 1 ASSI { 959} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.38491E-02 ppm1 2.597 ppm2 5.003 CV 1 ASSI { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD2%) 2.500 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.37627E-02 ppm1 1.746 ppm2 0.849 CV 1 OR { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD1%) ASSI { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA1 )) 2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.37407E-02 ppm1 4.225 ppm2 3.819 CV 1 OR { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA2 )) ASSI { 983} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 152 and name HD1%) 3.300 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.37389E-02 ppm1 2.942 ppm2 0.678 CV 1 ASSI { 994} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.000 0.500 0.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.36678E-02 ppm1 1.743 ppm2 1.159 CV 1 ASSI { 1010} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 123 and name HA )) 2.700 2.700 3.300 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 1.529 ppm2 4.392 CV 1 ASSI { 1011} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) 3.500 1.500 1.500 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.35914E-02 ppm1 1.294 ppm2 4.658 CV 1 OR { 1011} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 1013} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 107 and name HD% ) 2.700 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.35898E-02 ppm1 0.844 ppm2 6.906 CV 1 ASSI { 1017} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 1.900 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.15069E-01 ppm1 2.324 ppm2 2.081 CV 1 OR { 1017} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 1019} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.200 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.35527E-02 ppm1 1.252 ppm2 1.837 CV 1 ASSI { 1022} (( segid " " and resid 103 and name HA )) (( segid " " and resid 154 and name HA )) 3.500 1.600 1.600 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.35258E-02 ppm1 5.002 ppm2 4.334 CV 1 ASSI { 1023} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.100 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.35243E-02 ppm1 0.653 ppm2 0.040 CV 1 ASSI { 1025} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.400 0.700 0.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.35186E-02 ppm1 5.345 ppm2 1.598 CV 1 ASSI { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) 3.000 1.100 1.100 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.34925E-02 ppm1 4.352 ppm2 0.686 CV 1 OR { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) ASSI { 1032} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.34846E-02 ppm1 3.610 ppm2 4.659 CV 1 OR { 1032} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 109 and name HA )) ASSI { 1035} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.400 0.700 0.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.34699E-02 ppm1 2.503 ppm2 4.184 CV 1 ASSI { 1037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG13)) 2.400 0.700 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 1.262 ppm2 1.081 CV 1 ASSI { 1043} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.400 1.400 1.400 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.34487E-02 ppm1 5.171 ppm2 2.055 CV 1 ASSI { 1044} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HE% ) 2.500 0.800 0.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.34452E-02 ppm1 1.132 ppm2 7.210 CV 1 ASSI { 1055} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HA )) 2.800 1.000 1.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.33859E-02 ppm1 1.892 ppm2 3.956 CV 1 ASSI { 1062} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.33469E-02 ppm1 1.765 ppm2 1.052 CV 1 ASSI { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB3 )) 2.600 0.800 0.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.33209E-02 ppm1 5.004 ppm2 1.496 CV 1 OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HG )) OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 1079} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 2.100 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.33087E-02 ppm1 2.652 ppm2 2.826 CV 1 ASSI { 1080} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB3 )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.32976E-02 ppm1 2.886 ppm2 1.754 CV 1 OR { 1080} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB3 )) ASSI { 1081} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 139 and name HG2%) 3.100 3.100 2.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.32723E-02 ppm1 1.246 ppm2 0.723 CV 1 ASSI { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.32698E-02 ppm1 2.333 ppm2 0.821 CV 1 ASSI { 1089} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.600 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.32462E-02 ppm1 4.400 ppm2 2.732 CV 1 ASSI { 1090} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HA )) 3.000 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.32405E-02 ppm1 1.053 ppm2 4.009 CV 1 ASSI { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG3 )) 2.100 2.100 3.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 0.715 ppm2 1.987 CV 1 OR { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG2 )) ASSI { 1099} (( segid " " and resid 108 and name HA )) (( segid " " and resid 120 and name HA )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 4.082 ppm2 4.544 CV 1 ASSI { 1101} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.500 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.31752E-02 ppm1 0.674 ppm2 -0.190 CV 1 ASSI { 1104} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB )) 2.600 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.31555E-02 ppm1 4.173 ppm2 1.871 CV 1 ASSI { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.31184E-02 ppm1 1.254 ppm2 0.722 CV 1 OR { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1111} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 2.500 0.800 0.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.31027E-02 ppm1 1.422 ppm2 4.588 CV 1 ASSI { 1112} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 127 and name HG2%) 3.400 1.500 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 5.223 ppm2 0.739 CV 1 ASSI { 1115} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.30927E-02 ppm1 0.659 ppm2 6.853 CV 1 ASSI { 1123} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.30476E-02 ppm1 0.717 ppm2 5.377 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HB2 )) 2.400 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.30009E-02 ppm1 3.721 ppm2 2.887 CV 1 ASSI { 1142} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.500 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.30002E-02 ppm1 5.208 ppm2 7.057 CV 1 ASSI { 1148} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.29849E-02 ppm1 0.743 ppm2 1.181 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.29821E-02 ppm1 3.844 ppm2 0.397 CV 1 ASSI { 1162} ( segid " " and resid 162 and name HD1%) (( segid " " and resid 158 and name HB2 )) 2.800 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.29364E-02 ppm1 0.750 ppm2 1.893 CV 1 OR { 1162} ( segid " " and resid 162 and name HD2%) (( segid " " and resid 158 and name HB2 )) ASSI { 1166} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HG12)) 3.000 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 1.774 ppm2 1.112 CV 1 ASSI { 1170} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 127 and name HG1%) 3.700 1.700 1.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.29073E-02 ppm1 0.860 ppm2 1.127 CV 1 ASSI { 1179} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.28681E-02 ppm1 1.260 ppm2 4.272 CV 1 ASSI { 1181} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.800 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.28624E-02 ppm1 1.424 ppm2 1.837 CV 1 ASSI { 1185} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 2.196 ppm2 4.767 CV 1 ASSI { 1188} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.500 3.500 2.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.28350E-02 ppm1 0.746 ppm2 2.049 CV 1 ASSI { 1194} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 139 and name HG1%) 2.900 1.000 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.28157E-02 ppm1 1.932 ppm2 0.818 CV 1 OR { 1194} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 139 and name HG1%) ASSI { 1196} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 1.759 ppm2 4.392 CV 1 ASSI { 1210} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 3.000 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.27713E-02 ppm1 1.956 ppm2 4.766 CV 1 ASSI { 1213} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.900 1.000 1.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.27644E-02 ppm1 5.009 ppm2 2.617 CV 1 ASSI { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB3 )) 3.400 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.27616E-02 ppm1 2.575 ppm2 1.741 CV 1 OR { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB2 )) ASSI { 1232} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.100 2.100 3.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.26960E-02 ppm1 0.659 ppm2 0.399 CV 1 ASSI { 1236} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG3 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.26855E-02 ppm1 4.532 ppm2 2.453 CV 1 ASSI { 1237} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 135 and name HD1 )) 2.900 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.26850E-02 ppm1 2.153 ppm2 7.025 CV 1 OR { 1237} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 135 and name HD1 )) ASSI { 1240} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HA1 )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.26816E-02 ppm1 0.704 ppm2 3.468 CV 1 ASSI { 1241} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.700 0.900 0.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 4.369 ppm2 2.195 CV 1 ASSI { 1243} (( segid " " and resid 161 and name HA )) ( segid " " and resid 164 and name HD1%) 3.000 1.100 1.100 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.26696E-02 ppm1 4.133 ppm2 0.731 CV 1 ASSI { 1245} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.700 0.900 0.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.26599E-02 ppm1 1.759 ppm2 4.544 CV 1 ASSI { 1249} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.100 3.100 2.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 1.092 ppm2 2.055 CV 1 ASSI { 1251} (( segid " " and resid 132 and name HA )) (( segid " " and resid 136 and name HA )) 3.500 3.500 2.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.26490E-02 ppm1 4.536 ppm2 5.198 CV 1 ASSI { 1252} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.26428E-02 ppm1 4.656 ppm2 1.159 CV 1 ASSI { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) 2.600 0.800 0.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.26360E-02 ppm1 5.170 ppm2 1.740 CV 1 OR { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) ASSI { 1255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 4.274 ppm2 7.057 CV 1 ASSI { 1263} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.26122E-02 ppm1 2.188 ppm2 1.607 CV 1 ASSI { 1264} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.900 1.100 1.100 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.25949E-02 ppm1 4.362 ppm2 1.974 CV 1 ASSI { 1266} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA2 )) 2.300 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.25923E-02 ppm1 0.716 ppm2 4.451 CV 1 ASSI { 1270} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 140 and name HB2 )) 3.300 3.300 2.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.25832E-02 ppm1 2.884 ppm2 1.144 CV 1 OR { 1270} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1274} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HG3 )) 4.000 2.000 2.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25769E-02 ppm1 0.824 ppm2 2.570 CV 1 ASSI { 1283} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 0.687 ppm2 1.804 CV 1 ASSI { 1285} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 105 and name HB )) 3.200 1.300 1.300 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.25323E-02 ppm1 2.795 ppm2 2.150 CV 1 ASSI { 1286} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 139 and name HA )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.25299E-02 ppm1 1.093 ppm2 5.020 CV 1 ASSI { 1290} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 0.863 ppm2 1.618 CV 1 ASSI { 1291} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HD% ) 3.000 1.100 1.100 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.25183E-02 ppm1 1.132 ppm2 6.857 CV 1 ASSI { 1296} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.500 1.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 0.402 ppm2 6.856 CV 1 ASSI { 1310} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.24631E-02 ppm1 0.715 ppm2 1.675 CV 1 ASSI { 1312} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.24565E-02 ppm1 5.383 ppm2 1.675 CV 1 ASSI { 1314} (( segid " " and resid 164 and name HG13)) (( segid " " and resid 164 and name HA )) 2.700 0.900 0.900 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.24506E-02 ppm1 1.334 ppm2 4.009 CV 1 ASSI { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD1%) 3.500 1.500 1.500 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.24455E-02 ppm1 0.480 ppm2 0.821 CV 1 OR { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD2%) ASSI { 1321} (( segid " " and resid 125 and name HB )) ( segid " " and resid 127 and name HG1%) 2.800 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.24229E-02 ppm1 1.264 ppm2 1.129 CV 1 ASSI { 1322} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD2%) 2.200 0.600 0.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 1.836 ppm2 0.449 CV 1 ASSI { 1323} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.600 1.600 1.600 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.24226E-02 ppm1 2.158 ppm2 2.829 CV 1 OR { 1323} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 1329} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.900 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.24106E-02 ppm1 3.677 ppm2 0.634 CV 1 ASSI { 1343} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 2.800 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 1.431 ppm2 1.160 CV 1 ASSI { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD1%) 3.600 1.600 1.600 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.23720E-02 ppm1 1.084 ppm2 0.820 CV 1 OR { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD2%) ASSI { 1349} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.23711E-02 ppm1 5.038 ppm2 1.795 CV 1 ASSI { 1356} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.700 0.900 0.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.23575E-02 ppm1 3.607 ppm2 4.543 CV 1 OR { 1356} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HA )) ASSI { 1357} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) 2.900 1.000 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 1.574 ppm2 4.561 CV 1 OR { 1357} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) ASSI { 1360} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.23453E-02 ppm1 0.690 ppm2 4.566 CV 1 ASSI { 1362} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.000 1.100 1.100 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 5.382 ppm2 1.792 CV 1 ASSI { 1374} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.300 2.300 3.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 5.166 ppm2 1.966 CV 1 ASSI { 1390} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.600 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.22757E-02 ppm1 1.857 ppm2 5.020 CV 1 ASSI { 1396} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HA )) 2.900 1.000 1.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.22542E-02 ppm1 1.776 ppm2 4.817 CV 1 ASSI { 1400} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.22479E-02 ppm1 4.661 ppm2 2.856 CV 1 ASSI { 1403} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.300 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.22371E-02 ppm1 0.742 ppm2 1.609 CV 1 ASSI { 1408} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.22346E-02 ppm1 1.485 ppm2 5.006 CV 1 ASSI { 1409} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB3 )) 3.000 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.22291E-02 ppm1 4.657 ppm2 1.744 CV 1 ASSI { 1410} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.22288E-02 ppm1 1.747 ppm2 0.678 CV 1 ASSI { 1441} (( segid " " and resid 149 and name HA )) (( segid " " and resid 105 and name HB )) 4.100 2.100 1.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.21497E-02 ppm1 2.969 ppm2 2.139 CV 1 ASSI { 1445} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG3 )) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 1.777 ppm2 2.464 CV 1 ASSI { 1447} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG12)) 2.700 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.21455E-02 ppm1 1.261 ppm2 0.462 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.200 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.21404E-02 ppm1 4.536 ppm2 2.269 CV 1 ASSI { 1452} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.100 1.200 1.200 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.21293E-02 ppm1 5.859 ppm2 2.054 CV 1 ASSI { 1457} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.21188E-02 ppm1 0.752 ppm2 6.813 CV 1 ASSI { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.400 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.21183E-02 ppm1 5.168 ppm2 2.141 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG2 )) ASSI { 1464} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HA )) 3.300 3.300 2.700 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.21167E-02 ppm1 3.657 ppm2 4.515 CV 1 ASSI { 1467} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.200 2.200 3.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.21131E-02 ppm1 0.719 ppm2 -0.157 CV 1 ASSI { 1471} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.400 0.700 0.700 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.21054E-02 ppm1 2.984 ppm2 2.624 CV 1 ASSI { 1473} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.400 0.700 0.700 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.20960E-02 ppm1 2.209 ppm2 2.443 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) 2.700 0.900 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 4.779 ppm2 2.828 CV 1 ASSI { 1480} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HB3 )) 3.200 1.300 1.300 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 2.978 ppm2 1.849 CV 1 OR { 1480} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HB3 )) ASSI { 1482} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.200 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.20805E-02 ppm1 4.681 ppm2 2.896 CV 1 ASSI { 1488} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 146 and name HG2 )) 3.300 3.300 2.700 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.20631E-02 ppm1 2.016 ppm2 2.484 CV 1 ASSI { 1490} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 117 and name HD1%) 3.000 1.100 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.20572E-02 ppm1 1.166 ppm2 0.677 CV 1 ASSI { 1498} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.20516E-02 ppm1 0.676 ppm2 6.812 CV 1 ASSI { 1499} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 117 and name HD2%) 4.000 2.000 2.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.20490E-02 ppm1 3.833 ppm2 0.684 CV 1 ASSI { 1502} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HG )) 2.900 2.900 3.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.20433E-02 ppm1 5.343 ppm2 1.456 CV 1 ASSI { 1508} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HB3 )) 3.600 1.700 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 0.840 ppm2 2.242 CV 1 ASSI { 1515} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 5.172 ppm2 2.177 CV 1 ASSI { 1522} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.500 1.500 1.500 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.19989E-02 ppm1 4.772 ppm2 1.603 CV 1 ASSI { 1524} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HD3 )) 3.400 1.400 1.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.19966E-02 ppm1 1.296 ppm2 3.606 CV 1 OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD3 )) OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1530} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 149 and name HA )) 2.800 1.000 1.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.19897E-02 ppm1 2.145 ppm2 2.961 CV 1 ASSI { 1532} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 128 and name HG1%) 3.500 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.19800E-02 ppm1 1.944 ppm2 0.818 CV 1 ASSI { 1537} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 103 and name HB3 )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.19759E-02 ppm1 1.722 ppm2 2.956 CV 1 OR { 1537} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 103 and name HB3 )) ASSI { 1541} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA2 )) 3.000 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.19693E-02 ppm1 0.401 ppm2 5.221 CV 1 ASSI { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD2 )) 3.000 1.100 1.100 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.19474E-02 ppm1 2.968 ppm2 1.549 CV 1 OR { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD3 )) ASSI { 1562} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) 2.900 1.100 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 0.482 ppm2 4.272 CV 1 ASSI { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD3 )) 3.100 1.200 1.200 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 0.785 ppm2 3.611 CV 1 OR { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD2 )) ASSI { 1580} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18866E-02 ppm1 0.701 ppm2 4.659 CV 1 ASSI { 1586} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.18781E-02 ppm1 0.705 ppm2 4.539 CV 1 ASSI { 1587} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HA )) 2.900 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18766E-02 ppm1 2.026 ppm2 5.857 CV 1 OR { 1587} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) ASSI { 1596} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 3.400 3.400 2.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 2.016 ppm2 2.692 CV 1 OR { 1596} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 135 and name HB2 )) ASSI { 1599} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HA )) 3.400 1.500 1.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 1.087 ppm2 4.270 CV 1 ASSI { 1613} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 102 and name HA )) 3.600 1.600 1.600 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 1.133 ppm2 5.345 CV 1 ASSI { 1617} (( segid " " and resid 127 and name HA )) (( segid " " and resid 138 and name HA2 )) 2.000 0.500 0.500 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 4.132 ppm2 5.226 CV 1 ASSI { 1619} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HG12)) 2.000 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.15135E-01 ppm1 5.383 ppm2 1.102 CV 1 ASSI { 1622} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.18166E-02 ppm1 0.450 ppm2 1.617 CV 1 ASSI { 1630} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.100 1.200 1.200 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.18099E-02 ppm1 4.775 ppm2 2.638 CV 1 ASSI { 1633} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 125 and name HG2%) 3.500 1.500 1.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 0.756 ppm2 0.412 CV 1 ASSI { 1634} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.900 1.100 1.100 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 1.553 ppm2 2.961 CV 1 ASSI { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 2.900 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 4.658 ppm2 1.317 CV 1 OR { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) ASSI { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE2 )) 2.000 0.500 0.500 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.15224E-01 ppm1 1.716 ppm2 2.976 CV 1 OR { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE3 )) ASSI { 1651} (( segid " " and resid 105 and name HA )) ( segid " " and resid 119 and name HD1%) 3.700 1.700 1.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 3.759 ppm2 0.776 CV 1 ASSI { 1652} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 104 and name HA )) 3.300 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.17809E-02 ppm1 0.751 ppm2 5.364 CV 1 ASSI { 1658} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ2 )) 3.200 3.200 2.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 0.756 ppm2 7.382 CV 1 ASSI { 1669} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.800 1.000 1.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 5.343 ppm2 1.680 CV 1 ASSI { 1678} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HE% ) 2.800 1.000 1.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 0.754 ppm2 7.211 CV 1 ASSI { 1688} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.17228E-02 ppm1 4.661 ppm2 4.541 CV 1 ASSI { 1689} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 151 and name HA )) 3.100 3.100 2.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.17227E-02 ppm1 0.841 ppm2 4.677 CV 1 ASSI { 1712} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HA )) 2.600 0.900 0.900 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 1.256 ppm2 4.347 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 2.800 1.000 1.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16792E-02 ppm1 1.182 ppm2 3.676 CV 1 ASSI { 1722} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 154 and name HA )) 3.700 1.700 1.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.16716E-02 ppm1 2.940 ppm2 4.327 CV 1 ASSI { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB3 )) 3.800 1.800 1.800 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 2.476 ppm2 1.742 CV 1 ASSI { 1731} (( segid " " and resid 126 and name HA )) (( segid " " and resid 155 and name HG )) 3.400 1.400 1.400 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.16586E-02 ppm1 4.770 ppm2 1.461 CV 1 ASSI { 1732} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.800 1.000 1.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 0.654 ppm2 1.180 CV 1 ASSI { 1736} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HA )) 3.100 1.200 1.200 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.16567E-02 ppm1 1.428 ppm2 4.656 CV 1 ASSI { 1739} (( segid " " and resid 136 and name HA )) ( segid " " and resid 128 and name HG1%) 2.800 1.000 1.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 5.210 ppm2 0.817 CV 1 ASSI { 1745} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 119 and name HB3 )) 3.400 1.400 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 2.797 ppm2 1.976 CV 1 ASSI { 1757} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) 3.200 1.300 1.300 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 1.908 ppm2 4.541 CV 1 ASSI { 1760} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HB3 )) 3.500 1.500 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 3.813 ppm2 1.405 CV 1 ASSI { 1761} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HA )) 3.500 1.500 1.500 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.16157E-02 ppm1 0.399 ppm2 4.126 CV 1 ASSI { 1767} (( segid " " and resid 140 and name HA )) (( segid " " and resid 125 and name HA )) 2.900 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.16068E-02 ppm1 4.658 ppm2 4.273 CV 1 ASSI { 1778} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 2.971 ppm2 1.451 CV 1 ASSI { 1782} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.200 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.15817E-02 ppm1 2.854 ppm2 2.480 CV 1 ASSI { 1788} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 129 and name HA1 )) 3.400 3.400 2.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.15773E-02 ppm1 2.179 ppm2 3.771 CV 1 OR { 1788} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 129 and name HA1 )) ASSI { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 3.600 1.600 1.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.15691E-02 ppm1 2.623 ppm2 2.150 CV 1 OR { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 1799} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 152 and name HD1%) 3.500 1.600 1.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.15642E-02 ppm1 2.361 ppm2 0.682 CV 1 OR { 1799} (( segid " " and resid 154 and name HG3 )) ( segid " " and resid 152 and name HD1%) ASSI { 1805} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HA )) 3.800 1.800 1.800 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.15563E-02 ppm1 2.880 ppm2 4.549 CV 1 OR { 1805} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HA )) ASSI { 1817} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) 2.600 0.800 0.800 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.15135E-01 ppm1 5.383 ppm2 0.857 CV 1 ASSI { 1820} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 2.800 1.000 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.15359E-02 ppm1 2.972 ppm2 0.678 CV 1 ASSI { 1848} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.400 2.400 3.600 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.15048E-02 ppm1 0.695 ppm2 6.860 CV 1 ASSI { 1853} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.800 1.000 1.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14998E-02 ppm1 5.861 ppm2 1.972 CV 1 ASSI { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG2 )) 3.900 1.900 1.900 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.14976E-02 ppm1 4.660 ppm2 1.974 CV 1 OR { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HB3 )) ASSI { 1866} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.800 1.800 1.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.14940E-02 ppm1 2.595 ppm2 4.327 CV 1 ASSI { 1884} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.900 1.000 1.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14726E-02 ppm1 1.511 ppm2 5.008 CV 1 OR { 1884} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 103 and name HA )) ASSI { 1889} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 125 and name HD1%) 3.500 1.500 1.500 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 0.690 ppm2 -0.191 CV 1 ASSI { 1903} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.700 0.900 0.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 4.661 ppm2 2.480 CV 1 ASSI { 1904} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.700 1.700 1.700 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.14491E-02 ppm1 0.737 ppm2 6.855 CV 1 ASSI { 1910} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HG )) 2.900 1.000 1.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.14408E-02 ppm1 2.710 ppm2 1.423 CV 1 ASSI { 1913} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB2 )) 4.000 2.000 2.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.14373E-02 ppm1 0.659 ppm2 2.600 CV 1 ASSI { 1921} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 149 and name HB3 )) 3.100 1.200 1.200 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 1.554 ppm2 2.199 CV 1 OR { 1921} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 149 and name HB3 )) ASSI { 1926} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 119 and name HD2%) 4.200 2.200 1.800 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.14232E-02 ppm1 1.428 ppm2 0.451 CV 1 ASSI { 1945} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HA )) 3.400 1.400 1.400 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 4.692 ppm2 4.485 CV 1 ASSI { 1956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB3 )) 3.000 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14026E-02 ppm1 4.688 ppm2 3.724 CV 1 ASSI { 1959} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 140 and name HD2%) 3.900 1.900 1.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 1.458 ppm2 0.809 CV 1 ASSI { 1965} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 159 and name HA )) 3.900 1.900 1.900 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 2.169 ppm2 4.368 CV 1 OR { 1965} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 159 and name HA )) ASSI { 1981} (( segid " " and resid 105 and name HB )) (( segid " " and resid 152 and name HB )) 2.300 0.600 0.600 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.13727E-02 ppm1 2.172 ppm2 1.842 CV 1 ASSI { 1989} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 3.200 1.300 1.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 2.197 ppm2 1.676 CV 1 ASSI { 2014} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 129 and name HN )) 4.500 2.500 1.500 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 1.130 ppm2 7.491 CV 1 ASSI { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 2.464 ppm2 3.612 CV 1 OR { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2028} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.15059E-01 ppm1 1.129 ppm2 4.122 CV 1 ASSI { 2032} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.13344E-02 ppm1 2.157 ppm2 3.740 CV 1 ASSI { 2048} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB3 )) 2.700 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 5.208 ppm2 2.873 CV 1 ASSI { 2063} (( segid " " and resid 160 and name HB2 )) ( segid " " and resid 164 and name HD1%) 3.500 1.500 1.500 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.13101E-02 ppm1 2.601 ppm2 0.730 CV 1 OR { 2063} (( segid " " and resid 160 and name HB3 )) ( segid " " and resid 164 and name HD1%) ASSI { 2065} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HA )) 2.900 1.000 1.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.13097E-02 ppm1 1.429 ppm2 4.344 CV 1 ASSI { 2085} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HA )) 3.800 1.800 1.800 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.12960E-02 ppm1 2.977 ppm2 4.586 CV 1 OR { 2085} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HA )) ASSI { 2088} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 155 and name HD1%) 3.600 1.600 1.600 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.12924E-02 ppm1 1.964 ppm2 0.730 CV 1 ASSI { 2097} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 119 and name HD2%) 3.300 1.400 1.400 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 1.257 ppm2 0.450 CV 1 ASSI { 2108} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 151 and name HD% ) 2.800 1.000 1.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 2.287 ppm2 7.000 CV 1 ASSI { 2110} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HA )) 4.000 2.000 2.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 0.744 ppm2 5.004 CV 1 ASSI { 2116} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) 2.900 1.000 1.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 1.771 ppm2 4.535 CV 1 ASSI { 2122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HB2 )) 3.400 1.400 1.400 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 3.612 ppm2 1.763 CV 1 OR { 2122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 2132} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.300 2.300 3.700 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.15234E-01 ppm1 1.262 ppm2 4.563 CV 1 OR { 2132} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) ASSI { 2136} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HE3 )) 3.600 1.700 1.700 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 0.693 ppm2 7.010 CV 1 ASSI { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.400 1.400 1.400 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.12610E-02 ppm1 2.716 ppm2 0.820 CV 1 OR { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD2%) ASSI { 2190} (( segid " " and resid 125 and name HB )) ( segid " " and resid 152 and name HD1%) 3.600 1.600 1.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 1.264 ppm2 0.662 CV 1 ASSI { 2207} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 3.700 1.700 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12165E-02 ppm1 0.047 ppm2 2.619 CV 1 ASSI { 2209} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 4.000 2.000 2.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.12152E-02 ppm1 2.582 ppm2 5.855 CV 1 ASSI { 2275} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 127 and name HG2%) 2.500 0.800 0.800 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 2.876 ppm2 0.757 CV 1 ASSI { 2277} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD1 )) 3.100 1.200 1.200 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 2.652 ppm2 7.023 CV 1 ASSI { 2278} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG )) 3.600 1.600 1.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.11850E-02 ppm1 4.665 ppm2 1.456 CV 1 ASSI { 2289} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 147 and name HD% ) 3.900 1.900 1.900 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 -0.195 ppm2 6.814 CV 1 ASSI { 2293} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HG13)) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 0.619 ppm2 1.089 CV 1 ASSI { 2316} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HA )) 4.000 2.000 2.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 2.585 ppm2 5.171 CV 1 ASSI { 2320} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.700 0.900 0.900 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 4.657 ppm2 2.002 CV 1 ASSI { 2325} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.300 1.400 1.400 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 2.283 ppm2 4.679 CV 1 ASSI { 2327} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 117 and name HB3 )) 3.000 1.100 1.100 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 4.426 ppm2 1.405 CV 1 ASSI { 2386} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 3.400 1.400 1.400 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 4.349 ppm2 4.575 CV 1 ASSI { 2421} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 152 and name HG2%) 3.100 1.200 1.200 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 2.886 ppm2 0.652 CV 1 ASSI { 2430} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HA2 )) 3.500 1.500 1.500 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.11362E-02 ppm1 4.348 ppm2 4.102 CV 1 ASSI { 2431} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HG )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 4.102 ppm2 1.432 CV 1 ASSI { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD2 )) 4.100 2.100 1.900 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.11321E-02 ppm1 1.912 ppm2 3.608 CV 1 OR { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2443} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.500 2.500 3.500 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 0.713 ppm2 0.491 CV 1 ASSI { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB3 )) 4.200 2.200 1.800 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 5.859 ppm2 1.740 CV 1 OR { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB2 )) ASSI { 2463} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 129 and name HN )) 2.300 2.300 3.700 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 0.754 ppm2 7.493 CV 1 ASSI { 2483} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG13)) 2.900 1.100 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 1.807 ppm2 1.446 CV 1 ASSI { 2485} (( segid " " and resid 142 and name HA2 )) ( segid " " and resid 139 and name HG2%) 4.200 2.200 1.800 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 4.087 ppm2 0.700 CV 1 ASSI { 2487} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 2.900 1.000 1.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 0.633 ppm2 0.036 CV 1 ASSI { 2489} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB3 )) 3.500 1.500 1.500 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 0.049 ppm2 1.184 CV 1 ASSI { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB3 )) 4.200 2.200 1.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.10969E-02 ppm1 4.326 ppm2 1.497 CV 1 OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB2 )) OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HG )) ASSI { 2546} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 4.800 2.800 1.200 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 0.657 ppm2 2.614 CV 1 ASSI { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB3 )) 3.500 1.500 1.500 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 3.917 ppm2 1.300 CV 1 OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB2 )) OR { 2547} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HB3 )) ASSI { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) 3.300 1.400 1.400 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 1.268 ppm2 1.986 CV 1 OR { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG3 )) OR { 2553} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2585} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.10722E-02 ppm1 2.456 ppm2 5.172 CV 1 ASSI { 2598} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 3.800 1.800 1.800 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.10662E-02 ppm1 4.341 ppm2 4.620 CV 1 ASSI { 2600} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG2%) 3.700 1.700 1.700 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 2.006 ppm2 0.713 CV 1 ASSI { 2618} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 0.787 ppm2 4.368 CV 1 ASSI { 2623} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 147 and name HD% ) 3.400 1.400 1.400 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 0.449 ppm2 6.809 CV 1 ASSI { 2631} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HG2%) 3.900 1.900 1.900 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 4.769 ppm2 0.752 CV 1 ASSI { 2633} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG )) 3.300 1.300 1.300 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 4.658 ppm2 1.838 CV 1 ASSI { 2640} (( segid " " and resid 103 and name HA )) (( segid " " and resid 154 and name HB2 )) 3.100 1.200 1.200 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.10471E-02 ppm1 5.045 ppm2 1.966 CV 1 ASSI { 2654} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 134 and name HA1 )) 3.900 1.900 1.900 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 2.200 ppm2 3.512 CV 1 OR { 2654} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 134 and name HA1 )) ASSI { 2661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HB )) 2.700 0.900 0.900 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.10407E-02 ppm1 3.743 ppm2 1.796 CV 1 ASSI { 2673} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HB2 )) 2.300 0.700 0.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 2.004 ppm2 1.614 CV 1 ASSI { 2678} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 161 and name HA )) 3.700 1.700 1.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.10357E-02 ppm1 0.778 ppm2 4.200 CV 1 ASSI { 2688} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 3.600 3.600 2.400 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 2.554 ppm2 2.200 CV 1 ASSI { 2713} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 147 and name HD% ) 1.900 1.900 4.100 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 1.934 ppm2 6.844 CV 1 ASSI { 2729} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 125 and name HA )) 4.100 2.100 1.900 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 0.789 ppm2 4.269 CV 1 ASSI { 2735} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 147 and name HD% ) 4.300 2.300 1.700 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 0.856 ppm2 6.796 CV 1 ASSI { 2738} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HE22)) 4.200 2.200 1.800 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 4.371 ppm2 6.743 CV 1 ASSI { 2742} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HZ3 )) 4.100 2.100 1.900 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 0.690 ppm2 7.108 CV 1 ASSI { 2755} (( segid " " and resid 137 and name HA )) ( segid " " and resid 128 and name HG1%) 3.600 1.600 1.600 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.10069E-02 ppm1 5.170 ppm2 0.818 CV 1 ASSI { 2763} (( segid " " and resid 152 and name HA )) ( segid " " and resid 119 and name HD1%) 4.300 2.300 1.700 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 5.042 ppm2 0.762 CV 1 ASSI { 2770} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HA )) 3.000 1.100 1.100 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 2.987 ppm2 5.009 CV 1 ASSI { 2781} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HG )) 4.500 2.600 1.500 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 2.975 ppm2 1.427 CV 1 ASSI { 2787} (( segid " " and resid 164 and name HB )) (( segid " " and resid 162 and name HB2 )) 3.900 1.900 1.900 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.99924E-03 ppm1 1.774 ppm2 1.492 CV 1 ASSI { 2794} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 122 and name HA1 )) 3.300 1.300 1.300 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.99750E-03 ppm1 1.988 ppm2 3.401 CV 1 OR { 2794} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 122 and name HA1 )) ASSI { 2801} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HE3 )) 3.400 3.400 2.600 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.99483E-03 ppm1 4.781 ppm2 6.977 CV 1 ASSI { 2812} (( segid " " and resid 149 and name HA )) (( segid " " and resid 148 and name HA )) 3.800 1.800 1.800 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.99124E-03 ppm1 3.009 ppm2 3.659 CV 1 ASSI { 2813} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB2 )) 4.200 2.200 1.800 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.99116E-03 ppm1 2.265 ppm2 1.723 CV 1 OR { 2813} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 2818} (( segid " " and resid 152 and name HB )) (( segid " " and resid 103 and name HB2 )) 4.600 2.700 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.98916E-03 ppm1 1.805 ppm2 2.603 CV 1 ASSI { 2869} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 105 and name HB )) 3.900 1.900 1.900 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.96730E-03 ppm1 2.331 ppm2 2.155 CV 1 ASSI { 2873} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 147 and name HE% ) 4.600 2.600 1.400 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.96643E-03 ppm1 0.843 ppm2 7.201 CV 1 ASSI { 2876} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 104 and name HB2 )) 2.900 1.000 1.000 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.96616E-03 ppm1 1.118 ppm2 1.666 CV 1 ASSI { 2885} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.96442E-03 ppm1 2.435 ppm2 5.164 CV 1 ASSI { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE2 )) 3.800 1.800 1.800 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.95025E-03 ppm1 1.686 ppm2 2.801 CV 1 OR { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE3 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE3 )) ASSI { 2943} (( segid " " and resid 139 and name HB )) ( segid " " and resid 144 and name HG2%) 3.200 1.200 1.200 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.94757E-03 ppm1 1.858 ppm2 1.091 CV 1 ASSI { 2947} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.200 1.300 1.300 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.94643E-03 ppm1 1.162 ppm2 0.398 CV 1 ASSI { 2956} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 125 and name HD1%) 4.300 2.300 1.700 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.94241E-03 ppm1 1.133 ppm2 -0.191 CV 1 ASSI { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.94115E-03 ppm1 4.530 ppm2 3.808 CV 1 OR { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 2959} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HE% ) 4.100 2.100 1.900 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.94111E-03 ppm1 4.371 ppm2 6.868 CV 1 ASSI { 2964} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HB2 )) 4.100 2.100 1.900 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.93950E-03 ppm1 0.729 ppm2 2.600 CV 1 ASSI { 2994} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG3 )) 3.100 1.200 1.200 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.92713E-03 ppm1 4.661 ppm2 2.465 CV 1 ASSI { 3004} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 144 and name HG2%) 4.100 2.100 1.900 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.92481E-03 ppm1 4.425 ppm2 1.095 CV 1 ASSI { 3007} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 3.400 1.400 1.400 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.92465E-03 ppm1 2.474 ppm2 5.855 CV 1 ASSI { 3014} (( segid " " and resid 144 and name HB )) ( segid " " and resid 139 and name HG2%) 3.800 1.800 1.800 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.92359E-03 ppm1 3.937 ppm2 0.732 CV 1 ASSI { 3018} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 152 and name HG2%) 4.000 2.000 2.000 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.92268E-03 ppm1 3.721 ppm2 0.652 CV 1 ASSI { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD2 )) 3.500 1.500 1.500 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.92142E-03 ppm1 1.468 ppm2 3.607 CV 1 OR { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD3 )) ASSI { 3030} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 135 and name HB2 )) 3.600 1.600 1.600 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.91973E-03 ppm1 2.254 ppm2 2.649 CV 1 ASSI { 3039} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HG13)) 2.900 1.100 1.100 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.91780E-03 ppm1 5.083 ppm2 1.433 CV 1 ASSI { 3050} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HA )) 3.500 1.500 1.500 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.91508E-03 ppm1 0.686 ppm2 4.326 CV 1 ASSI { 3066} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 109 and name HB3 )) 4.000 2.000 2.000 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.91260E-03 ppm1 0.452 ppm2 2.869 CV 1 ASSI { 3078} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ3 )) 3.800 1.800 1.800 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.90980E-03 ppm1 0.753 ppm2 7.120 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 154 and name HG2 )) 3.300 1.400 1.400 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.90799E-03 ppm1 1.992 ppm2 2.317 CV 1 OR { 3085} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 154 and name HG2 )) ASSI { 3089} (( segid " " and resid 128 and name HB )) (( segid " " and resid 99 and name HA )) 3.400 3.400 2.600 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.90689E-03 ppm1 1.893 ppm2 4.226 CV 1 ASSI { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.500 0.800 0.800 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.15261E-01 ppm1 5.343 ppm2 1.937 CV 1 OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HG2 )) OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 3130} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 2.100 0.600 0.600 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.15020E-01 ppm1 2.323 ppm2 4.327 CV 1 OR { 3130} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) ASSI { 3149} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 139 and name HB )) 2.100 0.500 0.500 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 0.822 ppm2 1.855 CV 1 ASSI { 3150} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HB )) 2.000 0.500 0.500 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 0.705 ppm2 1.854 CV 1 ASSI { 3154} (( segid " " and resid 110 and name HG )) (( segid " " and resid 110 and name HB3 )) 2.000 0.500 0.500 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.460 ppm2 1.294 CV 1 OR { 3154} (( segid " " and resid 110 and name HG )) (( segid " " and resid 110 and name HB2 )) ASSI { 3159} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.200 0.600 0.600 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 0.786 ppm2 1.296 CV 1 OR { 3159} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HB2 )) OR { 3159} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB2 )) ASSI { 3161} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HA )) 2.200 2.200 3.800 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.451 ppm2 4.344 CV 1 ASSI { 3168} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB3 )) 2.000 0.500 0.500 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 0.675 ppm2 1.408 CV 1 OR { 3168} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HB3 )) ASSI { 3169} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 105 and name HG2%) 1.700 0.300 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.617 ppm2 0.713 CV 1 ASSI { 3173} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.600 2.600 3.400 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 2.000 ppm2 2.479 CV 1 ASSI { 3175} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG1%) 1.700 0.400 0.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 2.003 ppm2 0.865 CV 1 ASSI { 3176} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD2%) 1.700 0.300 0.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 2.001 ppm2 0.449 CV 1 ASSI { 3179} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 1.900 1.900 4.100 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.616 ppm2 2.858 CV 1 ASSI { 3180} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.100 2.100 3.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.615 ppm2 4.653 CV 1 ASSI { 3183} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB3 )) 1.400 0.200 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.837 ppm2 2.866 CV 1 ASSI { 3184} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.15063E-01 ppm1 1.837 ppm2 2.477 CV 1 ASSI { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HG )) 2.000 0.500 0.500 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 0.714 ppm2 1.494 CV 1 OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HG )) OR { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HB2 )) OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB3 )) ASSI { 3196} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HA )) 1.900 0.400 0.400 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.121 ppm2 4.817 CV 1 ASSI { 3201} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HA )) 2.200 0.600 0.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.563 ppm2 4.818 CV 1 ASSI { 3202} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HB )) 2.000 0.500 0.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.565 ppm2 1.767 CV 1 ASSI { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HD1%) 2.100 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.564 ppm2 0.722 CV 1 OR { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HG2%) ASSI { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG2 )) 2.500 0.800 0.800 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 5.039 ppm2 1.268 CV 1 OR { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG3 )) ASSI { 3207} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG13)) 2.200 0.600 0.600 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 0.657 ppm2 1.438 CV 1 ASSI { 3215} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HB )) 1.800 1.800 4.200 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.277 ppm2 1.797 CV 1 ASSI { 3216} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HG13)) 1.600 0.300 0.600 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.278 ppm2 1.427 CV 1 ASSI { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HD1%) 1.800 0.400 0.400 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.278 ppm2 0.655 CV 1 OR { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) ASSI { 3219} (( segid " " and resid 164 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.500 2.500 3.500 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.15066E-01 ppm1 4.012 ppm2 1.496 CV 1 ASSI { 3224} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HA )) 2.100 2.100 3.900 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.15066E-01 ppm1 2.197 ppm2 5.342 CV 1 ASSI { 3225} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HA )) 2.400 2.400 3.600 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.15066E-01 ppm1 1.958 ppm2 5.342 CV 1 ASSI { 3227} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.000 0.500 0.500 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.15069E-01 ppm1 2.324 ppm2 1.913 CV 1 OR { 3227} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3229} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 147 and name HD% ) 2.700 2.700 3.300 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 2.868 ppm2 6.844 CV 1 ASSI { 3233} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG12)) 2.100 2.100 3.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 2.973 ppm2 1.286 CV 1 ASSI { 3234} (( segid " " and resid 149 and name HA )) ( segid " " and resid 147 and name HD% ) 2.100 2.100 3.900 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 2.971 ppm2 6.839 CV 1 ASSI { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD1%) 2.200 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.81285E-02 ppm1 7.381 ppm2 0.721 CV 1 ASSI { 13} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 151 and name HE% ) 2.000 0.500 0.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.79603E-02 ppm1 7.029 ppm2 7.285 CV 1 ASSI { 18} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 136 and name HZ3 )) 2.500 2.500 3.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.18259E-01 ppm1 7.231 ppm2 7.165 CV 1 ASSI { 32} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 107 and name HD% ) 2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.77477E-02 ppm1 7.135 ppm2 6.934 CV 1 ASSI { 45} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HZ3 )) 2.700 2.700 3.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.40101E-02 ppm1 7.395 ppm2 7.144 CV 1 ASSI { 92} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HD1 )) 3.100 3.100 2.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18584E-02 ppm1 6.480 ppm2 7.019 CV 1 ASSI { 99} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB3 )) 2.100 2.100 3.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.80793E-02 ppm1 7.086 ppm2 2.906 CV 1 ASSI { 101} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB2 )) 3.200 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.17285E-02 ppm1 7.281 ppm2 2.911 CV 1 ASSI { 105} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 151 and name HA )) 2.900 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 6.937 ppm2 4.706 CV 1 ASSI { 108} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 117 and name HD2%) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 6.836 ppm2 0.713 CV 1 OR { 108} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 117 and name HD1%) ASSI { 109} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB2 )) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 7.030 ppm2 2.909 CV 1 ASSI { 111} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 109 and name HE% ) 3.400 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 7.240 ppm2 6.882 CV 1 ASSI { 115} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 145 and name HA2 )) 3.800 1.800 1.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 6.895 ppm2 4.402 CV 1 ASSI { 135} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB2 )) 2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 7.065 ppm2 2.505 CV 1 ASSI { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 110 and name HD1%) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 7.030 ppm2 0.756 CV 1 OR { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 110 and name HD2%) ASSI { 147} (( segid " " and resid 136 and name HE3 )) (( segid " " and resid 136 and name HZ3 )) 2.800 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 6.957 ppm2 7.126 CV 1 ASSI { 151} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HA )) 2.900 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 7.028 ppm2 4.703 CV 1 ASSI { 152} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB3 )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 6.939 ppm2 2.922 CV 1 ASSI { 155} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HA )) 3.300 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10152E-02 ppm1 6.936 ppm2 4.571 CV 1 ASSI { 166} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HE3 )) 3.200 3.200 2.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.90756E-03 ppm1 7.395 ppm2 6.995 CV 1 ASSI { 178} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 147 and name HB2 )) 3.000 1.100 1.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.85814E-03 ppm1 6.841 ppm2 2.662 CV 1 ASSI { 186} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 109 and name HA )) 3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.82128E-03 ppm1 7.285 ppm2 4.694 CV 1 ASSI { 188} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 151 and name HA )) 3.500 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.81584E-03 ppm1 7.137 ppm2 4.700 CV 1 ASSI { 197} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.000 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.78198E-03 ppm1 7.064 ppm2 0.772 CV 1 ASSI { 216} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 107 and name HB2 )) 2.500 2.500 3.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.72259E-03 ppm1 7.272 ppm2 2.263 CV 1 ASSI { 217} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 106 and name HB% ) 3.400 1.400 1.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.71716E-03 ppm1 7.140 ppm2 0.867 CV 1 ASSI { 230} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB3 )) 3.900 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.67541E-03 ppm1 7.281 ppm2 3.738 CV 1 ASSI { 239} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB3 )) 3.200 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.66482E-03 ppm1 7.029 ppm2 3.753 CV 1 ASSI { 241} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 132 and name HB2 )) 3.000 3.000 3.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.80793E-02 ppm1 6.486 ppm2 2.043 CV 1 ASSI { 258} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.100 2.100 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.62827E-03 ppm1 7.130 ppm2 2.297 CV 1 ASSI { 276} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HB2 )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.59898E-03 ppm1 6.477 ppm2 2.635 CV 1 ASSI { 290} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 132 and name HB2 )) 3.700 1.700 1.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.58728E-03 ppm1 7.058 ppm2 2.036 CV 1 ASSI { 308} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 4.200 2.200 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.57251E-03 ppm1 8.161 ppm2 8.059 CV 1 ASSI { 315} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.700 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.55928E-03 ppm1 7.030 ppm2 2.509 CV 1 ASSI { 318} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB3 )) 3.700 1.700 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.55392E-03 ppm1 7.057 ppm2 2.853 CV 1 ASSI { 336} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 119 and name HG )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.53522E-03 ppm1 7.066 ppm2 1.873 CV 1 ASSI { 357} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB2 )) 4.000 2.000 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.52017E-03 ppm1 7.082 ppm2 1.520 CV 1 ASSI { 371} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 103 and name HB2 )) 3.500 1.600 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.51419E-03 ppm1 7.137 ppm2 2.648 CV 1 ASSI { 414} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 150 and name HB3 )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.48532E-03 ppm1 7.027 ppm2 2.648 CV 1 ASSI { 421} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.300 2.300 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.48135E-03 ppm1 7.105 ppm2 2.900 CV 1 ASSI { 436} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 152 and name HG12)) 3.400 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.47103E-03 ppm1 6.841 ppm2 1.272 CV 1 ASSI { 440} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 134 and name HA2 )) 2.100 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 7.052 ppm2 3.957 CV 1 ASSI { 442} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.200 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 6.937 ppm2 2.301 CV 1 ASSI { 445} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 7.137 ppm2 4.569 CV 1 ASSI { 449} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 147 and name HE% ) 1.900 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 6.845 ppm2 7.241 CV 1 ASSI { 452} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.500 2.500 3.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 6.896 ppm2 2.004 CV 1 ASSI { 2} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.74172E-02 ppm1 9.739 ppm2 0.730 CV 1 ASSI { 5} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB2 )) 2.100 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.74218E-02 ppm1 7.341 ppm2 2.560 CV 1 ASSI { 6} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.74218E-02 ppm1 6.600 ppm2 2.560 CV 1 ASSI { 7} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.74859E-02 ppm1 8.546 ppm2 2.618 CV 1 ASSI { 8} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG1%) 1.900 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.74895E-02 ppm1 9.154 ppm2 0.836 CV 1 ASSI { 14} (( segid " " and resid 159 and name HN )) ( segid " " and resid 162 and name HD1%) 2.900 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.74273E-02 ppm1 8.310 ppm2 0.773 CV 1 OR { 14} (( segid " " and resid 159 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 15} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.74218E-02 ppm1 6.601 ppm2 4.514 CV 1 ASSI { 16} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.74218E-02 ppm1 9.026 ppm2 2.334 CV 1 ASSI { 17} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.74218E-02 ppm1 7.577 ppm2 2.208 CV 1 ASSI { 41} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HE21)) 1.300 0.200 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.77490E-01 ppm1 6.777 ppm2 7.575 CV 1 ASSI { 51} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HD22)) 1.600 0.300 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.49414E-01 ppm1 7.703 ppm2 7.080 CV 1 ASSI { 71} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HD22)) 1.800 0.400 0.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.29276E-01 ppm1 7.342 ppm2 6.596 CV 1 ASSI { 80} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HD22)) 1.800 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25586E-01 ppm1 7.443 ppm2 6.586 CV 1 ASSI { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16536E-01 ppm1 8.239 ppm2 3.822 CV 1 OR { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 110} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15944E-01 ppm1 8.440 ppm2 4.616 CV 1 ASSI { 114} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.15424E-01 ppm1 8.255 ppm2 4.561 CV 1 ASSI { 115} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.400 2.400 3.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15292E-01 ppm1 8.060 ppm2 4.567 CV 1 ASSI { 117} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.800 0.400 0.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.15170E-01 ppm1 7.499 ppm2 4.662 CV 1 ASSI { 118} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14673E-01 ppm1 8.347 ppm2 4.243 CV 1 ASSI { 120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14501E-01 ppm1 8.310 ppm2 4.414 CV 1 ASSI { 125} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13929E-01 ppm1 9.875 ppm2 7.039 CV 1 ASSI { 127} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.13780E-01 ppm1 8.282 ppm2 4.255 CV 1 ASSI { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.600 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.13381E-01 ppm1 7.855 ppm2 3.833 CV 1 OR { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 131} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.200 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.12944E-01 ppm1 8.485 ppm2 4.406 CV 1 ASSI { 138} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11983E-01 ppm1 8.159 ppm2 4.173 CV 1 ASSI { 140} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11738E-01 ppm1 7.855 ppm2 1.781 CV 1 ASSI { 141} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.11620E-01 ppm1 8.692 ppm2 4.463 CV 1 ASSI { 143} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.11410E-01 ppm1 8.785 ppm2 4.063 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.300 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11402E-01 ppm1 8.912 ppm2 4.567 CV 1 ASSI { 145} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11312E-01 ppm1 8.921 ppm2 4.584 CV 1 ASSI { 146} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.11257E-01 ppm1 8.060 ppm2 0.794 CV 1 ASSI { 147} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10957E-01 ppm1 7.876 ppm2 4.362 CV 1 ASSI { 149} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 8.326 ppm2 4.565 CV 1 ASSI { 150} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.400 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10779E-01 ppm1 8.060 ppm2 1.720 CV 1 ASSI { 152} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.100 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10716E-01 ppm1 7.977 ppm2 4.293 CV 1 ASSI { 155} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.400 2.400 3.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10108E-01 ppm1 8.239 ppm2 4.228 CV 1 ASSI { 156} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.97898E-02 ppm1 10.056 ppm2 7.078 CV 1 ASSI { 159} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.100 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.95729E-02 ppm1 8.158 ppm2 1.609 CV 1 ASSI { 160} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.94564E-02 ppm1 8.979 ppm2 5.457 CV 1 ASSI { 161} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.94310E-02 ppm1 8.306 ppm2 4.396 CV 1 ASSI { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.93767E-02 ppm1 8.315 ppm2 3.961 CV 1 OR { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.93610E-02 ppm1 9.127 ppm2 5.046 CV 1 ASSI { 165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.91633E-02 ppm1 8.575 ppm2 4.689 CV 1 ASSI { 166} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.91449E-02 ppm1 9.062 ppm2 4.672 CV 1 ASSI { 169} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.90210E-02 ppm1 9.739 ppm2 4.685 CV 1 ASSI { 170} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 1.900 0.400 0.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.89335E-02 ppm1 9.005 ppm2 4.784 CV 1 ASSI { 171} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.87346E-02 ppm1 8.198 ppm2 1.885 CV 1 ASSI { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.86560E-02 ppm1 8.541 ppm2 3.948 CV 1 OR { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.85317E-02 ppm1 8.347 ppm2 1.635 CV 1 ASSI { 178} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.200 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.83739E-02 ppm1 8.677 ppm2 4.835 CV 1 ASSI { 179} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.400 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.82179E-02 ppm1 7.830 ppm2 1.726 CV 1 ASSI { 180} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.80589E-02 ppm1 8.343 ppm2 3.742 CV 1 ASSI { 182} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.78482E-02 ppm1 9.739 ppm2 4.356 CV 1 ASSI { 183} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HN )) 1.900 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.76337E-02 ppm1 7.855 ppm2 8.215 CV 1 ASSI { 184} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.76243E-02 ppm1 8.534 ppm2 4.448 CV 1 ASSI { 185} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.75989E-02 ppm1 8.545 ppm2 4.346 CV 1 ASSI { 187} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.74265E-02 ppm1 8.541 ppm2 4.289 CV 1 ASSI { 188} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HG2%) 3.000 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.74078E-02 ppm1 7.475 ppm2 0.782 CV 1 ASSI { 189} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.72761E-02 ppm1 8.473 ppm2 3.491 CV 1 ASSI { 190} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.71788E-02 ppm1 7.876 ppm2 1.934 CV 1 ASSI { 191} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.71784E-02 ppm1 8.473 ppm2 4.789 CV 1 ASSI { 192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.71561E-02 ppm1 8.476 ppm2 7.405 CV 1 ASSI { 193} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.71538E-02 ppm1 9.121 ppm2 5.874 CV 1 ASSI { 195} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.70803E-02 ppm1 8.599 ppm2 4.097 CV 1 ASSI { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.70459E-02 ppm1 7.500 ppm2 1.326 CV 1 OR { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) ASSI { 198} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.70092E-02 ppm1 7.855 ppm2 4.028 CV 1 ASSI { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.69927E-02 ppm1 7.977 ppm2 1.947 CV 1 OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB3 )) 2.100 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.69568E-02 ppm1 8.545 ppm2 1.513 CV 1 OR { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 202} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.68790E-02 ppm1 8.971 ppm2 5.365 CV 1 ASSI { 203} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.68759E-02 ppm1 7.525 ppm2 3.696 CV 1 ASSI { 204} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.68341E-02 ppm1 9.533 ppm2 5.187 CV 1 ASSI { 205} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.500 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.68118E-02 ppm1 8.345 ppm2 4.022 CV 1 ASSI { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB3 )) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.67032E-02 ppm1 8.306 ppm2 2.614 CV 1 OR { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 211} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.66465E-02 ppm1 9.110 ppm2 5.390 CV 1 ASSI { 212} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.65421E-02 ppm1 8.476 ppm2 4.724 CV 1 ASSI { 215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.64011E-02 ppm1 8.141 ppm2 2.166 CV 1 ASSI { 216} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.300 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.63975E-02 ppm1 8.974 ppm2 5.017 CV 1 ASSI { 217} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.63858E-02 ppm1 8.141 ppm2 4.408 CV 1 ASSI { 218} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.63792E-02 ppm1 8.141 ppm2 2.752 CV 1 ASSI { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.63131E-02 ppm1 8.254 ppm2 3.931 CV 1 OR { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 225} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.59872E-02 ppm1 7.392 ppm2 9.029 CV 1 ASSI { 227} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.59137E-02 ppm1 7.854 ppm2 0.778 CV 1 ASSI { 229} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.58406E-02 ppm1 9.126 ppm2 0.724 CV 1 ASSI { 231} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.58391E-02 ppm1 8.759 ppm2 5.215 CV 1 ASSI { 234} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.57375E-02 ppm1 7.855 ppm2 1.072 CV 1 ASSI { 235} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.57296E-02 ppm1 8.912 ppm2 4.065 CV 1 ASSI { 236} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.57183E-02 ppm1 8.576 ppm2 2.670 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.56722E-02 ppm1 8.473 ppm2 4.115 CV 1 ASSI { 239} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.56558E-02 ppm1 8.306 ppm2 4.563 CV 1 ASSI { 240} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.000 0.500 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.56261E-02 ppm1 9.072 ppm2 5.046 CV 1 ASSI { 242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.55890E-02 ppm1 8.350 ppm2 4.295 CV 1 ASSI { 243} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.55776E-02 ppm1 9.027 ppm2 4.385 CV 1 ASSI { 247} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.55268E-02 ppm1 7.703 ppm2 2.726 CV 1 ASSI { 248} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.500 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55256E-02 ppm1 8.912 ppm2 2.234 CV 1 ASSI { 249} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.000 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.54846E-02 ppm1 7.374 ppm2 9.072 CV 1 ASSI { 250} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.54756E-02 ppm1 8.363 ppm2 4.515 CV 1 ASSI { 251} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.54584E-02 ppm1 8.922 ppm2 1.932 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.54401E-02 ppm1 8.440 ppm2 3.966 CV 1 ASSI { 255} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB3 )) 2.400 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.53924E-02 ppm1 7.829 ppm2 1.854 CV 1 ASSI { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.53736E-02 ppm1 8.309 ppm2 3.817 CV 1 OR { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 257} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.300 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.53306E-02 ppm1 9.074 ppm2 3.755 CV 1 ASSI { 260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.53095E-02 ppm1 8.326 ppm2 4.173 CV 1 ASSI { 261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.52982E-02 ppm1 8.428 ppm2 5.175 CV 1 ASSI { 263} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HZ2 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.52517E-02 ppm1 9.875 ppm2 7.285 CV 1 ASSI { 264} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.52462E-02 ppm1 9.072 ppm2 1.817 CV 1 ASSI { 265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 8.861 ppm2 4.565 CV 1 ASSI { 271} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.50750E-02 ppm1 9.154 ppm2 4.148 CV 1 ASSI { 272} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.50657E-02 ppm1 7.391 ppm2 1.997 CV 1 ASSI { 273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.49930E-02 ppm1 8.474 ppm2 4.358 CV 1 ASSI { 274} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG2%) 3.300 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.49879E-02 ppm1 9.154 ppm2 0.775 CV 1 ASSI { 275} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 2.800 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.49656E-02 ppm1 10.056 ppm2 7.392 CV 1 ASSI { 277} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG13)) 2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.49347E-02 ppm1 7.854 ppm2 1.348 CV 1 ASSI { 278} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.49336E-02 ppm1 8.476 ppm2 2.719 CV 1 ASSI { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.49199E-02 ppm1 8.454 ppm2 3.852 CV 1 OR { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 281} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.48976E-02 ppm1 7.830 ppm2 4.617 CV 1 ASSI { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.48312E-02 ppm1 7.830 ppm2 8.464 CV 1 ASSI { 284} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.47483E-02 ppm1 9.074 ppm2 0.858 CV 1 ASSI { 285} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.400 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.47475E-02 ppm1 7.402 ppm2 2.469 CV 1 ASSI { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.47370E-02 ppm1 8.454 ppm2 1.514 CV 1 OR { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 287} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 2.200 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.47104E-02 ppm1 8.324 ppm2 8.166 CV 1 ASSI { 290} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.46346E-02 ppm1 7.392 ppm2 2.211 CV 1 ASSI { 291} (( segid " " and resid 145 and name HN )) ( segid " " and resid 127 and name HG1%) 3.300 3.300 2.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.45772E-02 ppm1 8.979 ppm2 1.117 CV 1 ASSI { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.45361E-02 ppm1 8.922 ppm2 1.873 CV 1 ASSI { 295} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.45283E-02 ppm1 8.785 ppm2 3.546 CV 1 ASSI { 296} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.45002E-02 ppm1 7.402 ppm2 2.202 CV 1 ASSI { 299} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HD1%) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.44009E-02 ppm1 7.125 ppm2 0.686 CV 1 ASSI { 300} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.44001E-02 ppm1 8.141 ppm2 2.340 CV 1 ASSI { 301} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB2 )) 3.500 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.43884E-02 ppm1 7.079 ppm2 2.727 CV 1 ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.43333E-02 ppm1 8.141 ppm2 8.446 CV 1 ASSI { 304} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.43036E-02 ppm1 8.923 ppm2 0.828 CV 1 ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 7.392 ppm2 4.685 CV 1 ASSI { 307} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.500 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.42555E-02 ppm1 7.545 ppm2 7.124 CV 1 ASSI { 309} (( segid " " and resid 161 and name HN )) ( segid " " and resid 162 and name HD1%) 3.500 1.600 1.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.42254E-02 ppm1 8.317 ppm2 0.776 CV 1 OR { 309} (( segid " " and resid 161 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.200 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.42227E-02 ppm1 8.921 ppm2 1.705 CV 1 OR { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 311} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 8.921 ppm2 2.368 CV 1 ASSI { 312} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.42086E-02 ppm1 7.374 ppm2 0.844 CV 1 ASSI { 313} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.42004E-02 ppm1 7.975 ppm2 0.419 CV 1 ASSI { 314} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.41934E-02 ppm1 8.362 ppm2 8.780 CV 1 ASSI { 315} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.800 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.41906E-02 ppm1 8.343 ppm2 4.408 CV 1 ASSI { 316} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 2.300 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.41637E-02 ppm1 9.110 ppm2 0.880 CV 1 ASSI { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) 3.000 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 8.351 ppm2 0.842 CV 1 OR { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG1%) ASSI { 320} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 8.923 ppm2 3.860 CV 1 ASSI { 321} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.600 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.40824E-02 ppm1 9.110 ppm2 2.163 CV 1 ASSI { 325} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.40331E-02 ppm1 8.921 ppm2 2.104 CV 1 ASSI { 327} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HG1%) 2.900 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.40034E-02 ppm1 9.004 ppm2 1.143 CV 1 ASSI { 328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.39968E-02 ppm1 8.243 ppm2 1.675 CV 1 ASSI { 329} (( segid " " and resid 160 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.400 3.400 2.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.39952E-02 ppm1 8.279 ppm2 1.526 CV 1 ASSI { 330} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.39734E-02 ppm1 8.923 ppm2 5.239 CV 1 ASSI { 331} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.900 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.39640E-02 ppm1 8.678 ppm2 0.771 CV 1 ASSI { 332} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.39225E-02 ppm1 9.071 ppm2 0.688 CV 1 ASSI { 333} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.38979E-02 ppm1 7.876 ppm2 1.786 CV 1 ASSI { 336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.38400E-02 ppm1 8.974 ppm2 1.817 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.38035E-02 ppm1 7.545 ppm2 2.914 CV 1 ASSI { 340} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.37974E-02 ppm1 8.811 ppm2 4.435 CV 1 ASSI { 342} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.37519E-02 ppm1 8.442 ppm2 3.428 CV 1 ASSI { 343} (( segid " " and resid 143 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.37407E-02 ppm1 7.830 ppm2 0.727 CV 1 ASSI { 344} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.37404E-02 ppm1 8.242 ppm2 4.286 CV 1 ASSI { 347} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA1 )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.37123E-02 ppm1 8.812 ppm2 3.835 CV 1 ASSI { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.37028E-02 ppm1 8.759 ppm2 1.749 CV 1 OR { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 349} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 8.575 ppm2 4.509 CV 1 ASSI { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.900 1.900 1.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.36603E-02 ppm1 8.198 ppm2 2.180 CV 1 OR { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 351} (( segid " " and resid 123 and name HN )) ( segid " " and resid 105 and name HG1%) 2.100 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.36533E-02 ppm1 8.141 ppm2 0.861 CV 1 ASSI { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.400 1.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.36007E-02 ppm1 9.739 ppm2 0.844 CV 1 OR { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) ASSI { 362} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.34864E-02 ppm1 8.254 ppm2 4.099 CV 1 ASSI { 365} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.34693E-02 ppm1 8.921 ppm2 4.347 CV 1 ASSI { 369} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.600 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.33860E-02 ppm1 8.363 ppm2 2.560 CV 1 ASSI { 370} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.33724E-02 ppm1 8.473 ppm2 0.731 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33674E-02 ppm1 7.475 ppm2 4.179 CV 1 ASSI { 373} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.33345E-02 ppm1 8.362 ppm2 2.667 CV 1 ASSI { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) 3.400 1.500 1.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.33245E-02 ppm1 8.329 ppm2 2.617 CV 1 OR { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB3 )) ASSI { 376} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.32651E-02 ppm1 8.350 ppm2 1.900 CV 1 ASSI { 378} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.32390E-02 ppm1 9.062 ppm2 1.771 CV 1 ASSI { 383} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31749E-02 ppm1 8.442 ppm2 4.445 CV 1 ASSI { 384} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 1.600 0.300 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.31648E-02 ppm1 9.154 ppm2 7.470 CV 1 ASSI { 386} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 8.309 ppm2 2.050 CV 1 ASSI { 387} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.31208E-02 ppm1 8.677 ppm2 1.281 CV 1 ASSI { 390} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HA )) 3.400 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30516E-02 ppm1 8.350 ppm2 5.220 CV 1 ASSI { 391} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB3 )) 3.600 1.600 1.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.30441E-02 ppm1 7.703 ppm2 2.992 CV 1 ASSI { 392} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HN )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.30360E-02 ppm1 7.830 ppm2 9.124 CV 1 ASSI { 393} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.30202E-02 ppm1 9.074 ppm2 0.722 CV 1 ASSI { 394} (( segid " " and resid 139 and name HN )) ( segid " " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.30109E-02 ppm1 8.923 ppm2 0.419 CV 1 ASSI { 395} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG2 )) 3.600 1.600 1.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.30057E-02 ppm1 7.578 ppm2 2.337 CV 1 ASSI { 396} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.30052E-02 ppm1 8.244 ppm2 4.567 CV 1 ASSI { 398} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB3 )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29816E-02 ppm1 9.127 ppm2 1.763 CV 1 ASSI { 401} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.29623E-02 ppm1 8.238 ppm2 1.510 CV 1 ASSI { 406} (( segid " " and resid 104 and name HN )) ( segid " " and resid 155 and name HD1%) 4.400 2.400 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.28872E-02 ppm1 8.974 ppm2 0.732 CV 1 ASSI { 407} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 2.900 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.28852E-02 ppm1 8.362 ppm2 7.049 CV 1 ASSI { 408} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB3 )) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.28588E-02 ppm1 7.443 ppm2 2.823 CV 1 ASSI { 409} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.700 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.28574E-02 ppm1 7.475 ppm2 4.023 CV 1 ASSI { 411} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB3 )) 3.600 1.600 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.28452E-02 ppm1 7.341 ppm2 2.642 CV 1 ASSI { 412} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.28206E-02 ppm1 8.979 ppm2 4.436 CV 1 ASSI { 414} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.28091E-02 ppm1 8.758 ppm2 2.893 CV 1 ASSI { 415} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.27819E-02 ppm1 8.311 ppm2 2.346 CV 1 ASSI { 417} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HA )) 2.600 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.27522E-02 ppm1 9.075 ppm2 5.047 CV 1 ASSI { 422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26929E-02 ppm1 8.979 ppm2 3.834 CV 1 ASSI { 424} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 8.812 ppm2 1.973 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) 2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26639E-02 ppm1 8.453 ppm2 0.745 CV 1 ASSI { 431} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.700 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.26260E-02 ppm1 7.544 ppm2 3.740 CV 1 ASSI { 432} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.200 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26243E-02 ppm1 7.475 ppm2 3.743 CV 1 ASSI { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.26162E-02 ppm1 8.599 ppm2 3.932 CV 1 OR { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) ASSI { 435} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) 3.700 1.700 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25910E-02 ppm1 9.072 ppm2 1.282 CV 1 ASSI { 437} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.900 1.900 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25568E-02 ppm1 8.243 ppm2 1.815 CV 1 ASSI { 438} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 7.876 ppm2 1.276 CV 1 ASSI { 440} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB3 )) 4.100 2.100 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25401E-02 ppm1 8.785 ppm2 2.009 CV 1 ASSI { 441} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 9.533 ppm2 3.859 CV 1 ASSI { 445} (( segid " " and resid 145 and name HN )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.25066E-02 ppm1 8.979 ppm2 9.534 CV 1 ASSI { 446} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.25013E-02 ppm1 7.544 ppm2 8.360 CV 1 ASSI { 451} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.300 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.428 ppm2 2.470 CV 1 ASSI { 453} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.800 1.800 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 7.374 ppm2 2.916 CV 1 ASSI { 457} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 8.599 ppm2 4.670 CV 1 ASSI { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 7.500 ppm2 0.789 CV 1 OR { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) ASSI { 459} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 7.500 ppm2 1.462 CV 1 ASSI { 460} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.400 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23851E-02 ppm1 8.973 ppm2 2.972 CV 1 ASSI { 462} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB )) 1.900 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.23585E-02 ppm1 9.153 ppm2 1.923 CV 1 ASSI { 463} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB3 )) 4.100 2.100 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23344E-02 ppm1 7.079 ppm2 2.992 CV 1 ASSI { 464} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HB3 )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.23322E-02 ppm1 10.056 ppm2 1.720 CV 1 ASSI { 465} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HE% ) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 9.533 ppm2 6.855 CV 1 ASSI { 469} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 7.374 ppm2 4.561 CV 1 ASSI { 471} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.200 1.300 1.300 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23032E-02 ppm1 8.238 ppm2 1.607 CV 1 ASSI { 472} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD% ) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.23021E-02 ppm1 9.121 ppm2 6.830 CV 1 ASSI { 473} (( segid " " and resid 141 and name HD21)) ( segid " " and resid 105 and name HG1%) 2.300 2.300 3.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 7.702 ppm2 0.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD1%) 3.500 1.500 1.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.22878E-02 ppm1 8.159 ppm2 0.774 CV 1 OR { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 477} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22708E-02 ppm1 7.442 ppm2 2.693 CV 1 ASSI { 478} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.300 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 9.121 ppm2 2.049 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) 3.500 1.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22591E-02 ppm1 8.243 ppm2 1.537 CV 1 OR { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 8.306 ppm2 3.822 CV 1 OR { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 481} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.500 1.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.22507E-02 ppm1 8.472 ppm2 2.892 CV 1 ASSI { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22455E-02 ppm1 8.244 ppm2 2.181 CV 1 OR { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG3 )) ASSI { 483} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 3.300 1.400 1.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.22324E-02 ppm1 7.402 ppm2 4.728 CV 1 ASSI { 485} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.22176E-02 ppm1 9.027 ppm2 4.218 CV 1 ASSI { 486} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 8.472 ppm2 1.951 CV 1 ASSI { 487} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 8.441 ppm2 1.722 CV 1 ASSI { 490} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21962E-02 ppm1 8.602 ppm2 2.015 CV 1 ASSI { 493} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.600 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21851E-02 ppm1 8.141 ppm2 3.426 CV 1 ASSI { 494} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.21836E-02 ppm1 8.141 ppm2 9.095 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.21682E-02 ppm1 7.392 ppm2 4.205 CV 1 ASSI { 498} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG12)) 3.700 1.700 1.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21601E-02 ppm1 7.125 ppm2 1.290 CV 1 ASSI { 500} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21467E-02 ppm1 7.526 ppm2 8.358 CV 1 ASSI { 501} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21437E-02 ppm1 7.978 ppm2 4.786 CV 1 ASSI { 502} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 8.973 ppm2 2.619 CV 1 ASSI { 503} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.500 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 7.829 ppm2 3.494 CV 1 ASSI { 504} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21259E-02 ppm1 8.545 ppm2 5.017 CV 1 ASSI { 505} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.21132E-02 ppm1 7.879 ppm2 4.564 CV 1 ASSI { 506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG12)) 3.700 1.700 1.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21117E-02 ppm1 8.678 ppm2 1.109 CV 1 ASSI { 507} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 8.362 ppm2 2.838 CV 1 ASSI { 508} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21061E-02 ppm1 8.427 ppm2 4.380 CV 1 ASSI { 509} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20984E-02 ppm1 9.128 ppm2 4.673 CV 1 ASSI { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD1%) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 8.544 ppm2 0.740 CV 1 ASSI { 518} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 9.062 ppm2 0.745 CV 1 ASSI { 519} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.20461E-02 ppm1 7.398 ppm2 5.176 CV 1 ASSI { 520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 7.830 ppm2 4.112 CV 1 ASSI { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.600 2.600 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.20331E-02 ppm1 8.974 ppm2 1.512 CV 1 OR { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 523} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HD1%) 4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.20184E-02 ppm1 7.545 ppm2 0.688 CV 1 ASSI { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB3 )) 4.500 2.600 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 7.474 ppm2 1.763 CV 1 OR { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 525} (( segid " " and resid 139 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 8.923 ppm2 7.969 CV 1 ASSI { 529} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HG2%) 5.200 3.300 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.19906E-02 ppm1 9.004 ppm2 0.779 CV 1 ASSI { 530} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HG2%) 4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19625E-02 ppm1 9.532 ppm2 0.723 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 3.600 1.600 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 9.026 ppm2 2.503 CV 1 ASSI { 533} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19523E-02 ppm1 9.127 ppm2 1.172 CV 1 ASSI { 534} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19440E-02 ppm1 8.350 ppm2 1.723 CV 1 ASSI { 536} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.19392E-02 ppm1 8.442 ppm2 5.463 CV 1 ASSI { 537} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 9.072 ppm2 4.583 CV 1 ASSI { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB3 )) 3.500 1.500 1.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.19361E-02 ppm1 8.971 ppm2 1.514 CV 1 OR { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 542} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.200 1.200 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 7.374 ppm2 2.290 CV 1 ASSI { 543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 8.349 ppm2 3.986 CV 1 ASSI { 544} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19121E-02 ppm1 8.435 ppm2 1.441 CV 1 ASSI { 547} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.800 1.800 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.19013E-02 ppm1 8.158 ppm2 2.002 CV 1 ASSI { 549} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 4.000 2.000 2.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 8.239 ppm2 0.778 CV 1 ASSI { 550} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 140 and name HG )) 4.300 2.300 1.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18880E-02 ppm1 7.079 ppm2 1.445 CV 1 ASSI { 551} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 8.602 ppm2 2.491 CV 1 ASSI { 552} (( segid " " and resid 137 and name HN )) (( segid " " and resid 129 and name HN )) 3.600 1.600 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.18796E-02 ppm1 8.759 ppm2 7.466 CV 1 ASSI { 553} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.300 2.300 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.18744E-02 ppm1 8.310 ppm2 1.882 CV 1 ASSI { 555} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG3 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18622E-02 ppm1 7.578 ppm2 2.521 CV 1 ASSI { 556} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.000 3.000 3.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 8.060 ppm2 3.928 CV 1 ASSI { 557} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.18526E-02 ppm1 8.544 ppm2 2.103 CV 1 ASSI { 558} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HG )) 3.000 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18467E-02 ppm1 7.703 ppm2 1.445 CV 1 ASSI { 560} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 8.676 ppm2 4.295 CV 1 ASSI { 562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.18098E-02 ppm1 8.311 ppm2 2.754 CV 1 ASSI { 563} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18078E-02 ppm1 8.599 ppm2 0.759 CV 1 ASSI { 565} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 3.900 1.900 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 8.921 ppm2 0.694 CV 1 ASSI { 566} (( segid " " and resid 149 and name HN )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17888E-02 ppm1 7.525 ppm2 4.782 CV 1 ASSI { 570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17714E-02 ppm1 8.677 ppm2 5.385 CV 1 ASSI { 573} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 9.739 ppm2 8.469 CV 1 ASSI { 578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA2 )) 3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 9.153 ppm2 5.238 CV 1 ASSI { 579} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.400 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 8.426 ppm2 1.279 CV 1 ASSI { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.700 1.700 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 8.360 ppm2 2.193 CV 1 OR { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 581} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17371E-02 ppm1 9.005 ppm2 4.145 CV 1 ASSI { 584} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17239E-02 ppm1 8.922 ppm2 5.048 CV 1 ASSI { 586} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB3 )) 4.700 2.800 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 6.587 ppm2 2.823 CV 1 ASSI { 587} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 9.121 ppm2 5.184 CV 1 ASSI { 589} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.000 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 8.691 ppm2 5.354 CV 1 ASSI { 590} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA2 )) 3.600 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16960E-02 ppm1 8.362 ppm2 3.952 CV 1 ASSI { 591} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 9.074 ppm2 4.194 CV 1 ASSI { 592} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.400 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 7.526 ppm2 1.595 CV 1 ASSI { 595} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16771E-02 ppm1 9.128 ppm2 5.457 CV 1 ASSI { 596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.300 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 7.545 ppm2 4.705 CV 1 ASSI { 598} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16665E-02 ppm1 8.968 ppm2 5.017 CV 1 ASSI { 599} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD2%) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 9.061 ppm2 0.466 CV 1 ASSI { 602} (( segid " " and resid 127 and name HN )) (( segid " " and resid 102 and name HA )) 3.400 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.16390E-02 ppm1 9.005 ppm2 5.354 CV 1 ASSI { 603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 8.255 ppm2 2.288 CV 1 ASSI { 604} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 8.974 ppm2 5.388 CV 1 ASSI { 605} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HA )) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.968 ppm2 4.795 CV 1 ASSI { 607} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HN )) 3.200 1.300 1.300 peak 607 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 9.118 ppm2 8.463 CV 1 ASSI { 608} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG2%) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 7.526 ppm2 0.676 CV 1 ASSI { 612} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 8.677 ppm2 8.974 CV 1 ASSI { 613} (( segid " " and resid 145 and name HN )) (( segid " " and resid 139 and name HA )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16092E-02 ppm1 8.978 ppm2 5.043 CV 1 ASSI { 614} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HD1%) 4.200 2.200 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 8.363 ppm2 0.682 CV 1 ASSI { 615} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.400 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 8.542 ppm2 8.230 CV 1 ASSI { 618} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG2 )) 4.300 2.300 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 6.777 ppm2 2.328 CV 1 ASSI { 620} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.900 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15677E-02 ppm1 8.599 ppm2 1.629 CV 1 ASSI { 623} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15600E-02 ppm1 7.374 ppm2 4.194 CV 1 ASSI { 626} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15415E-02 ppm1 8.599 ppm2 2.873 CV 1 ASSI { 631} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15208E-02 ppm1 7.392 ppm2 2.684 CV 1 ASSI { 632} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HE3 )) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15128E-02 ppm1 9.121 ppm2 6.991 CV 1 ASSI { 633} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HN )) 3.300 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15110E-02 ppm1 8.862 ppm2 8.604 CV 1 ASSI { 637} (( segid " " and resid 154 and name HN )) (( segid " " and resid 125 and name HB )) 3.200 3.200 2.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15003E-02 ppm1 8.922 ppm2 1.280 CV 1 ASSI { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.863 ppm2 3.621 CV 1 OR { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 641} (( segid " " and resid 138 and name HN )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 641 spectrum 1 weight 0.10000E+01 volume 0.14972E-02 ppm1 9.533 ppm2 5.874 CV 1 ASSI { 642} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.900 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 7.125 ppm2 5.047 CV 1 ASSI { 645} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 8.351 ppm2 7.074 CV 1 ASSI { 649} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.313 ppm2 2.044 CV 1 ASSI { 652} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 8.861 ppm2 0.755 CV 1 ASSI { 653} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB3 )) 4.500 2.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 6.601 ppm2 2.643 CV 1 ASSI { 654} (( segid " " and resid 144 and name HN )) ( segid " " and resid 139 and name HG2%) 3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14265E-02 ppm1 8.434 ppm2 0.735 CV 1 ASSI { 655} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.000 2.000 2.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14164E-02 ppm1 7.402 ppm2 2.674 CV 1 ASSI { 656} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14141E-02 ppm1 8.471 ppm2 5.216 CV 1 ASSI { 658} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.700 1.800 1.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14033E-02 ppm1 8.474 ppm2 4.686 CV 1 ASSI { 659} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.700 1.700 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14027E-02 ppm1 7.404 ppm2 2.796 CV 1 ASSI { 666} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 9.121 ppm2 2.648 CV 1 ASSI { 667} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 4.400 2.500 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13661E-02 ppm1 7.392 ppm2 2.819 CV 1 ASSI { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 4.000 2.000 2.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 8.973 ppm2 2.005 CV 1 OR { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) ASSI { 672} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.300 2.300 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 8.244 ppm2 2.659 CV 1 ASSI { 673} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.600 2.700 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13469E-02 ppm1 8.363 ppm2 1.198 CV 1 ASSI { 674} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.100 2.100 1.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 8.362 ppm2 4.063 CV 1 ASSI { 676} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 3.700 1.700 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13398E-02 ppm1 8.363 ppm2 3.701 CV 1 ASSI { 679} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 8.060 ppm2 4.086 CV 1 ASSI { 680} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 2.500 3.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13326E-02 ppm1 7.403 ppm2 4.509 CV 1 ASSI { 683} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 8.813 ppm2 5.872 CV 1 ASSI { 684} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA1 )) 3.800 1.800 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 8.364 ppm2 3.549 CV 1 ASSI { 685} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13182E-02 ppm1 9.111 ppm2 3.756 CV 1 ASSI { 686} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB2 )) 4.600 2.600 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 6.587 ppm2 2.692 CV 1 ASSI { 687} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HA )) 4.600 2.700 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 7.855 ppm2 4.224 CV 1 ASSI { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.800 1.800 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 9.532 ppm2 1.750 CV 1 OR { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 693} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 7.545 ppm2 4.520 CV 1 ASSI { 694} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.700 1.700 1.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.12933E-02 ppm1 7.500 ppm2 2.873 CV 1 ASSI { 695} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 8.541 ppm2 1.810 CV 1 ASSI { 696} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) 3.800 3.800 2.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 8.758 ppm2 4.293 CV 1 ASSI { 698} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.800 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.12679E-02 ppm1 8.544 ppm2 1.932 CV 1 ASSI { 700} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG3 )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 7.977 ppm2 2.212 CV 1 ASSI { 702} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG3 )) 4.100 2.100 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 6.778 ppm2 2.525 CV 1 ASSI { 706} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 3.500 1.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12373E-02 ppm1 7.125 ppm2 1.818 CV 1 ASSI { 716} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.500 2.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 9.739 ppm2 2.992 CV 1 ASSI { 717} (( segid " " and resid 153 and name HN )) ( segid " " and resid 106 and name HB% ) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 9.072 ppm2 0.853 CV 1 ASSI { 718} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HN )) 4.400 2.400 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12005E-02 ppm1 8.575 ppm2 7.409 CV 1 ASSI { 719} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11958E-02 ppm1 8.060 ppm2 8.445 CV 1 ASSI { 720} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG3 )) 4.300 2.300 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 8.161 ppm2 2.182 CV 1 OR { 720} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG2 )) ASSI { 722} (( segid " " and resid 103 and name HN )) ( segid " " and resid 127 and name HG1%) 4.000 2.000 2.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 8.968 ppm2 1.137 CV 1 ASSI { 723} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.500 1.600 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 7.375 ppm2 6.933 CV 1 ASSI { 724} (( segid " " and resid 117 and name HN )) (( segid " " and resid 146 and name HN )) 4.000 2.000 2.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 8.425 ppm2 8.815 CV 1 ASSI { 726} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.000 2.000 2.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 7.525 ppm2 2.182 CV 1 ASSI { 729} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HB2 )) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11674E-02 ppm1 7.854 ppm2 1.515 CV 1 ASSI { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.900 1.900 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 7.876 ppm2 3.621 CV 1 OR { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 732} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG )) 3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 9.740 ppm2 1.447 CV 1 ASSI { 734} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 4.100 2.100 1.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 8.978 ppm2 3.961 CV 1 ASSI { 737} (( segid " " and resid 155 and name HN )) (( segid " " and resid 104 and name HN )) 4.300 2.300 1.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 8.544 ppm2 8.951 CV 1 ASSI { 738} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 4.500 2.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 8.545 ppm2 2.372 CV 1 ASSI { 742} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA1 )) 4.400 2.400 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 9.154 ppm2 3.863 CV 1 ASSI { 744} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 9.118 ppm2 5.041 CV 1 ASSI { 751} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.800 1.800 1.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 8.310 ppm2 2.207 CV 1 ASSI { 752} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10990E-02 ppm1 9.739 ppm2 2.727 CV 1 ASSI { 754} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 7.126 ppm2 4.708 CV 1 ASSI { 756} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.900 1.900 1.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 9.027 ppm2 4.709 CV 1 ASSI { 760} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) 4.400 2.400 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 7.829 ppm2 5.054 CV 1 ASSI { 765} (( segid " " and resid 101 and name HN )) (( segid " " and resid 127 and name HN )) 3.200 1.200 1.200 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10673E-02 ppm1 8.488 ppm2 9.002 CV 1 ASSI { 766} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 8.863 ppm2 1.627 CV 1 ASSI { 767} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 4.400 2.400 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 8.254 ppm2 6.926 CV 1 ASSI { 768} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.400 1.400 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 8.968 ppm2 2.618 CV 1 ASSI { 769} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.300 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 7.976 ppm2 1.114 CV 1 ASSI { 771} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.000 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10459E-02 ppm1 9.109 ppm2 1.690 CV 1 ASSI { 772} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB3 )) 4.400 2.400 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 9.062 ppm2 2.752 CV 1 ASSI { 774} (( segid " " and resid 105 and name HN )) (( segid " " and resid 124 and name HA )) 3.600 1.700 1.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.10411E-02 ppm1 9.110 ppm2 4.835 CV 1 ASSI { 775} (( segid " " and resid 145 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 8.980 ppm2 1.427 CV 1 ASSI { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 9.005 ppm2 1.663 CV 1 OR { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 778} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HA )) 3.300 3.300 2.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 10.055 ppm2 4.290 CV 1 ASSI { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.400 2.400 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.10237E-02 ppm1 9.004 ppm2 1.506 CV 1 OR { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 783} (( segid " " and resid 146 and name HN )) (( segid " " and resid 117 and name HB3 )) 4.500 2.500 1.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 8.812 ppm2 1.432 CV 1 ASSI { 789} (( segid " " and resid 136 and name HN )) (( segid " " and resid 148 and name HA )) 4.000 2.000 2.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 8.472 ppm2 3.697 CV 1 ASSI { 791} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 3.900 1.900 1.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10035E-02 ppm1 7.123 ppm2 4.518 CV 1 ASSI { 795} (( segid " " and resid 153 and name HN )) (( segid " " and resid 105 and name HA )) 3.800 1.800 1.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.99570E-03 ppm1 9.074 ppm2 3.757 CV 1 ASSI { 796} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 7.977 ppm2 1.278 CV 1 ASSI { 797} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB3 )) 4.800 2.800 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.99086E-03 ppm1 8.474 ppm2 2.476 CV 1 ASSI { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.600 2.600 3.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.98284E-03 ppm1 8.159 ppm2 3.807 CV 1 OR { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 802} (( segid " " and resid 101 and name HN )) ( segid " " and resid 128 and name HG2%) 4.600 2.700 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.98144E-03 ppm1 8.487 ppm2 0.789 CV 1 ASSI { 807} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 3.400 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.97440E-03 ppm1 8.058 ppm2 9.062 CV 1 ASSI { 809} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD2%) 3.600 1.600 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.97178E-03 ppm1 8.862 ppm2 0.467 CV 1 ASSI { 811} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.97061E-03 ppm1 8.968 ppm2 2.980 CV 1 ASSI { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD1%) 2.700 2.700 3.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.96706E-03 ppm1 6.778 ppm2 0.790 CV 1 OR { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD2%) ASSI { 814} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 4.600 2.700 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.95951E-03 ppm1 8.363 ppm2 4.709 CV 1 ASSI { 817} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB3 )) 5.300 3.500 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.94810E-03 ppm1 8.244 ppm2 2.852 CV 1 ASSI { 818} (( segid " " and resid 107 and name HN )) (( segid " " and resid 152 and name HA )) 4.500 2.500 1.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.94732E-03 ppm1 7.374 ppm2 5.045 CV 1 ASSI { 820} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.300 2.300 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.94392E-03 ppm1 8.488 ppm2 8.696 CV 1 ASSI { 822} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.500 2.500 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.93794E-03 ppm1 8.679 ppm2 1.783 CV 1 ASSI { 827} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.91914E-03 ppm1 7.501 ppm2 8.605 CV 1 ASSI { 830} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.900 1.900 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 8.542 ppm2 1.678 CV 1 ASSI { 832} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HA )) 4.900 3.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.90582E-03 ppm1 10.056 ppm2 5.219 CV 1 ASSI { 834} (( segid " " and resid 139 and name HN )) (( segid " " and resid 127 and name HA )) 3.600 1.600 1.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.90253E-03 ppm1 8.922 ppm2 4.146 CV 1 ASSI { 835} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.90140E-03 ppm1 8.254 ppm2 7.364 CV 1 ASSI { 846} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.600 1.600 1.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.88671E-03 ppm1 8.247 ppm2 7.072 CV 1 ASSI { 849} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.88010E-03 ppm1 7.830 ppm2 4.347 CV 1 ASSI { 851} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.400 2.500 1.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.87783E-03 ppm1 8.689 ppm2 8.963 CV 1 ASSI { 853} (( segid " " and resid 103 and name HN )) (( segid " " and resid 125 and name HB )) 3.300 1.400 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.87287E-03 ppm1 8.971 ppm2 1.283 CV 1 ASSI { 855} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.86986E-03 ppm1 8.472 ppm2 2.665 CV 1 ASSI { 858} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.100 2.100 1.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.85970E-03 ppm1 8.442 ppm2 1.721 CV 1 ASSI { 859} (( segid " " and resid 135 and name HN )) (( segid " " and resid 130 and name HB3 )) 4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.85947E-03 ppm1 8.358 ppm2 1.715 CV 1 ASSI { 864} (( segid " " and resid 104 and name HN )) (( segid " " and resid 154 and name HA )) 4.800 2.900 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.85341E-03 ppm1 8.972 ppm2 4.350 CV 1 ASSI { 867} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.84122E-03 ppm1 9.118 ppm2 2.987 CV 1 ASSI { 869} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.400 2.400 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.83891E-03 ppm1 8.472 ppm2 2.996 CV 1 ASSI { 870} (( segid " " and resid 138 and name HN )) ( segid " " and resid 127 and name HG1%) 3.600 1.600 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.83774E-03 ppm1 9.532 ppm2 1.120 CV 1 ASSI { 878} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 149 and name HB3 )) 4.000 2.000 2.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 10.055 ppm2 2.182 CV 1 ASSI { 884} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HA )) 3.200 3.200 2.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.282 ppm2 4.181 CV 1 ASSI { 885} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.400 2.500 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.81503E-03 ppm1 8.138 ppm2 2.013 CV 1 ASSI { 890} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.400 2.400 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.80725E-03 ppm1 7.527 ppm2 1.198 CV 1 ASSI { 894} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.80229E-03 ppm1 8.864 ppm2 2.874 CV 1 ASSI { 900} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HG )) 4.400 2.400 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.78709E-03 ppm1 8.597 ppm2 1.850 CV 1 ASSI { 902} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 3.900 1.900 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.78486E-03 ppm1 8.343 ppm2 7.463 CV 1 ASSI { 904} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 4.300 2.300 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.78005E-03 ppm1 8.255 ppm2 8.610 CV 1 ASSI { 906} (( segid " " and resid 139 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.400 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.77677E-03 ppm1 8.923 ppm2 1.126 CV 1 ASSI { 909} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) 4.300 2.300 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.76833E-03 ppm1 9.874 ppm2 2.653 CV 1 ASSI { 913} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG3 )) 4.200 2.200 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.75602E-03 ppm1 9.007 ppm2 2.209 CV 1 ASSI { 918} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HB )) 5.000 3.100 1.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.74777E-03 ppm1 8.239 ppm2 1.794 CV 1 ASSI { 919} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.74676E-03 ppm1 8.430 ppm2 7.400 CV 1 ASSI { 922} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB3 )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.74492E-03 ppm1 7.578 ppm2 1.321 CV 1 ASSI { 925} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HA )) 4.400 2.500 1.600 peak 925 spectrum 1 weight 0.10000E+01 volume 0.74093E-03 ppm1 8.158 ppm2 4.561 CV 1 ASSI { 930} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.73218E-03 ppm1 7.875 ppm2 8.852 CV 1 ASSI { 937} (( segid " " and resid 153 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.300 2.300 1.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.72573E-03 ppm1 9.071 ppm2 2.617 CV 1 ASSI { 940} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.700 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.72526E-03 ppm1 9.061 ppm2 2.346 CV 1 ASSI { 941} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HN )) 5.400 3.700 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.72479E-03 ppm1 9.111 ppm2 8.447 CV 1 ASSI { 942} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HB3 )) 4.400 2.400 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.72178E-03 ppm1 8.158 ppm2 2.599 CV 1 ASSI { 944} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HA )) 4.200 2.200 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.72112E-03 ppm1 7.579 ppm2 4.205 CV 1 ASSI { 947} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.300 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.347 ppm2 1.801 CV 1 ASSI { 950} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 133 and name HG3 )) 3.700 1.800 1.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.71565E-03 ppm1 9.876 ppm2 2.178 CV 1 ASSI { 952} (( segid " " and resid 135 and name HN )) ( segid " " and resid 128 and name HG1%) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.71498E-03 ppm1 8.364 ppm2 0.844 CV 1 ASSI { 955} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD21)) 4.900 3.000 1.100 peak 955 spectrum 1 weight 0.10000E+01 volume 0.71358E-03 ppm1 8.362 ppm2 7.319 CV 1 ASSI { 957} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.700 2.800 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.71233E-03 ppm1 9.739 ppm2 1.175 CV 1 ASSI { 958} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 4.500 2.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.71069E-03 ppm1 8.759 ppm2 7.072 CV 1 ASSI { 959} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.300 1.400 1.400 peak 959 spectrum 1 weight 0.10000E+01 volume 0.71010E-03 ppm1 7.545 ppm2 2.643 CV 1 ASSI { 961} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HA )) 4.100 2.100 1.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.70564E-03 ppm1 8.244 ppm2 5.219 CV 1 ASSI { 963} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HA )) 4.600 2.700 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.70400E-03 ppm1 9.122 ppm2 4.785 CV 1 ASSI { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.800 2.900 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.70240E-03 ppm1 8.920 ppm2 1.518 CV 1 OR { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 966} (( segid " " and resid 145 and name HN )) (( segid " " and resid 137 and name HA )) 4.300 2.300 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.69998E-03 ppm1 8.979 ppm2 5.204 CV 1 ASSI { 969} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB2 )) 4.200 2.300 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.69798E-03 ppm1 7.438 ppm2 2.000 CV 1 ASSI { 971} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HG1%) 4.500 2.600 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.69380E-03 ppm1 9.153 ppm2 1.142 CV 1 ASSI { 975} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.400 2.400 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.69103E-03 ppm1 8.362 ppm2 2.196 CV 1 ASSI { 978} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 3.700 1.700 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.68419E-03 ppm1 8.923 ppm2 8.536 CV 1 ASSI { 981} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB3 )) 4.200 2.200 1.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.67559E-03 ppm1 7.438 ppm2 2.213 CV 1 ASSI { 984} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.346 ppm2 1.702 CV 1 ASSI { 989} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) 4.900 3.000 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.67110E-03 ppm1 9.741 ppm2 1.765 CV 1 ASSI { 992} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.100 2.100 1.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.66789E-03 ppm1 8.472 ppm2 2.725 CV 1 ASSI { 995} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 4.700 2.800 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.66652E-03 ppm1 8.922 ppm2 4.294 CV 1 ASSI { 997} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HA )) 3.900 1.900 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.66488E-03 ppm1 7.343 ppm2 4.514 CV 1 ASSI { 998} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 132 and name HB2 )) 4.500 2.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.66273E-03 ppm1 9.876 ppm2 2.018 CV 1 ASSI { 999} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.66250E-03 ppm1 7.444 ppm2 4.694 CV 1 ASSI { 1001} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HB3 )) 4.500 2.500 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.66066E-03 ppm1 8.348 ppm2 2.878 CV 1 ASSI { 1004} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 133 and name HA )) 2.800 2.800 3.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.65746E-03 ppm1 10.055 ppm2 4.054 CV 1 ASSI { 1007} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.65163E-03 ppm1 7.829 ppm2 2.720 CV 1 ASSI { 1010} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.500 2.600 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.64921E-03 ppm1 8.350 ppm2 1.513 CV 1 ASSI { 1013} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB2 )) 3.700 1.700 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.64589E-03 ppm1 7.575 ppm2 2.002 CV 1 ASSI { 1015} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 4.200 2.200 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.64116E-03 ppm1 8.675 ppm2 -0.170 CV 1 ASSI { 1021} (( segid " " and resid 152 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.63444E-03 ppm1 7.124 ppm2 6.874 CV 1 ASSI { 1028} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.200 2.200 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.62361E-03 ppm1 8.540 ppm2 1.531 CV 1 ASSI { 1032} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.700 1.700 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.61971E-03 ppm1 7.392 ppm2 8.551 CV 1 ASSI { 1033} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.300 2.400 1.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.61955E-03 ppm1 8.977 ppm2 8.820 CV 1 ASSI { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD1%) 2.900 2.900 3.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.61377E-03 ppm1 7.579 ppm2 0.784 CV 1 OR { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD2%) ASSI { 1044} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.300 1.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.60298E-03 ppm1 8.978 ppm2 2.063 CV 1 ASSI { 1045} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.60286E-03 ppm1 8.921 ppm2 9.535 CV 1 ASSI { 1047} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.60013E-03 ppm1 7.703 ppm2 4.362 CV 1 ASSI { 1052} (( segid " " and resid 138 and name HN )) ( segid " " and resid 125 and name HG2%) 4.600 2.700 1.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.59583E-03 ppm1 9.533 ppm2 0.422 CV 1 ASSI { 1058} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.58950E-03 ppm1 8.427 ppm2 7.869 CV 1 ASSI { 1061} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.100 1.200 1.200 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.278 ppm2 1.784 CV 1 ASSI { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB3 )) 5.700 4.000 0.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.58258E-03 ppm1 8.968 ppm2 1.963 CV 1 OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HG2 )) OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 1072} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.100 2.100 1.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.57625E-03 ppm1 8.362 ppm2 1.595 CV 1 ASSI { 1076} (( segid " " and resid 128 and name HN )) (( segid " " and resid 139 and name HN )) 5.500 3.800 0.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.57015E-03 ppm1 9.154 ppm2 8.932 CV 1 ASSI { 1080} (( segid " " and resid 101 and name HN )) ( segid " " and resid 127 and name HG1%) 5.200 3.300 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.56601E-03 ppm1 8.487 ppm2 1.129 CV 1 ASSI { 1082} (( segid " " and resid 107 and name HN )) (( segid " " and resid 151 and name HA )) 4.300 2.300 1.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.56515E-03 ppm1 7.376 ppm2 4.720 CV 1 ASSI { 1085} (( segid " " and resid 117 and name HN )) ( segid " " and resid 109 and name HE% ) 4.700 2.800 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.56441E-03 ppm1 8.429 ppm2 6.862 CV 1 ASSI { 1086} (( segid " " and resid 138 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.56425E-03 ppm1 9.532 ppm2 5.449 CV 1 ASSI { 1090} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HA )) 5.800 4.200 0.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.55862E-03 ppm1 6.778 ppm2 4.225 CV 1 ASSI { 1091} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.900 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.346 ppm2 1.749 CV 1 ASSI { 1095} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.300 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.545 ppm2 4.466 CV 1 ASSI { 1098} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 134 and name HA2 )) 4.500 2.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.55120E-03 ppm1 9.876 ppm2 3.951 CV 1 ASSI { 1100} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.700 2.800 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.55065E-03 ppm1 8.245 ppm2 1.518 CV 1 ASSI { 1112} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HA )) 5.000 3.100 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.54268E-03 ppm1 7.080 ppm2 4.367 CV 1 ASSI { 1124} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.100 1.200 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.677 ppm2 8.303 CV 1 ASSI { 1125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.677 ppm2 7.971 CV 1 ASSI { 1126} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.400 1.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 7.973 ppm2 -0.166 CV 1 ASSI { 1129} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.247 ppm2 8.345 CV 1 ASSI { 1131} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.247 ppm2 8.918 CV 1 ASSI { 1132} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HE1 )) 2.600 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.784 ppm2 10.055 CV 1 ASSI { 1136} (( segid " " and resid 137 and name HN )) (( segid " " and resid 128 and name HN )) 2.300 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.758 ppm2 9.136 CV 1 ASSI { 1137} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 2.700 2.700 3.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.759 ppm2 9.520 CV 1 ASSI { 1138} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.739 ppm2 9.127 CV 1 ASSI { 1140} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HE3 )) 2.900 2.900 3.100 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.121 ppm2 6.478 CV 1 ASSI { 1141} (( segid " " and resid 147 and name HN )) (( segid " " and resid 138 and name HN )) 3.400 1.500 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.122 ppm2 9.541 CV 1 ASSI { 1142} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.900 2.900 3.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.121 ppm2 8.802 CV 1 ASSI { 1144} (( segid " " and resid 119 and name HN )) (( segid " " and resid 108 and name HA )) 3.300 3.300 2.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.862 ppm2 4.096 CV 1 ASSI { 1146} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.005 ppm2 7.981 CV 1 ASSI { 1147} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.155 ppm2 8.983 CV 1 ASSI { 1148} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.600 0.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.534 ppm2 5.237 CV 1 ASSI { 1149} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 9.153 ppm2 4.187 CV 1 ASSI { 1150} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.310 ppm2 4.835 CV 1 ASSI { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.74172E-02 ppm1 10.054 ppm2 0.748 CV 1 OR { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD2%) ASSI { 1153} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HE% ) 3.100 3.100 2.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 7.500 ppm2 6.865 CV 1 ASSI { 1154} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.244 ppm2 4.294 CV 1 ASSI { 1155} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.700 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.244 ppm2 3.991 CV 1 ASSI { 1157} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA2 )) 2.900 1.100 1.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.785 ppm2 3.952 CV 1 ASSI { 1159} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.800 1.000 1.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.344 ppm2 1.724 CV 1 ASSI { 1160} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 3.100 3.100 2.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.327 ppm2 3.990 CV 1 ASSI { 1161} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.900 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.73175E-02 ppm1 8.323 ppm2 2.002 CV 1 ASSI { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.500 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.489 ppm2 1.676 CV 1 OR { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.486 ppm2 4.463 CV 1 ASSI { 1167} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.900 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.691 ppm2 1.585 CV 1 ASSI { 1168} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.975 ppm2 1.697 CV 1 ASSI { 1170} (( segid " " and resid 105 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.111 ppm2 2.759 CV 1 ASSI { 1172} (( segid " " and resid 105 and name HN )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.110 ppm2 8.670 CV 1 ASSI { 1174} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HB )) 3.100 1.200 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.075 ppm2 1.823 CV 1 ASSI { 1175} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 3.200 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.074 ppm2 2.163 CV 1 ASSI { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.200 3.200 2.800 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.599 ppm2 1.320 CV 1 OR { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 1177} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD2%) 3.500 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.598 ppm2 0.466 CV 1 ASSI { 1179} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 7.500 ppm2 4.701 CV 1 ASSI { 1180} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.400 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.026 ppm2 2.220 CV 1 ASSI { 1181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.700 0.700 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.026 ppm2 2.013 CV 1 ASSI { 1182} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.000 1.200 1.200 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.577 ppm2 2.820 CV 1 ASSI { 1183} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.476 ppm2 4.503 CV 1 ASSI { 1184} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.575 ppm2 2.613 CV 1 ASSI { 1185} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.576 ppm2 2.720 CV 1 ASSI { 1186} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.100 1.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.475 ppm2 2.622 CV 1 ASSI { 1189} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HD2%) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 7.875 ppm2 0.466 CV 1 ASSI { 1190} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.862 ppm2 1.936 CV 1 ASSI { 1191} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.863 ppm2 1.786 CV 1 ASSI { 1194} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.062 ppm2 4.563 CV 1 ASSI { 1196} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.700 0.900 0.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.060 ppm2 1.771 CV 1 ASSI { 1197} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.200 0.600 0.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 9.062 ppm2 1.612 CV 1 ASSI { 1198} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.73804E-02 ppm1 8.060 ppm2 1.614 CV 1 ASSI { 1199} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 8.143 ppm2 1.617 CV 1 ASSI { 1200} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 8.141 ppm2 4.446 CV 1 ASSI { 1203} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) 2.500 0.800 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 8.312 ppm2 1.783 CV 1 ASSI { 1204} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 2.700 0.900 0.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 9.000 ppm2 0.416 CV 1 ASSI { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.500 1.500 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 9.006 ppm2 1.756 CV 1 OR { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 1206} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB )) 3.000 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.73847E-02 ppm1 9.006 ppm2 1.923 CV 1 ASSI { 1208} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.345 ppm2 4.290 CV 1 ASSI { 1210} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.245 ppm2 2.233 CV 1 ASSI { 1211} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.600 0.900 0.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.244 ppm2 2.005 CV 1 ASSI { 1212} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.200 1.200 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.784 ppm2 7.054 CV 1 ASSI { 1213} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB3 )) 2.600 0.800 0.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.912 ppm2 2.005 CV 1 ASSI { 1214} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.400 1.500 1.500 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.912 ppm2 1.960 CV 1 ASSI { 1215} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 1.300 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.785 ppm2 1.959 CV 1 ASSI { 1216} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG1%) 2.700 2.700 3.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.913 ppm2 0.857 CV 1 ASSI { 1217} (( segid " " and resid 136 and name HN )) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.471 ppm2 6.838 CV 1 ASSI { 1219} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.363 ppm2 4.789 CV 1 ASSI { 1220} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.473 ppm2 2.839 CV 1 ASSI { 1221} (( segid " " and resid 149 and name HN )) (( segid " " and resid 136 and name HN )) 2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 7.526 ppm2 8.470 CV 1 ASSI { 1223} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 2.600 2.600 3.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.759 ppm2 8.467 CV 1 ASSI { 1225} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.759 ppm2 5.183 CV 1 ASSI { 1228} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 9.129 ppm2 8.454 CV 1 ASSI { 1230} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.200 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.923 ppm2 0.731 CV 1 ASSI { 1236} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.400 2.400 3.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.811 ppm2 2.050 CV 1 ASSI { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.500 1.500 1.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.811 ppm2 1.749 CV 1 OR { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1238} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.900 2.900 3.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 9.119 ppm2 2.883 CV 1 ASSI { 1239} (( segid " " and resid 147 and name HN )) ( segid " " and resid 128 and name HG1%) 1.900 1.900 4.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 9.121 ppm2 0.821 CV 1 ASSI { 1240} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.900 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 9.121 ppm2 1.972 CV 1 ASSI { 1241} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.200 0.600 0.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 7.524 ppm2 2.649 CV 1 ASSI { 1242} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 2.600 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.363 ppm2 7.110 CV 1 ASSI { 1244} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 7.545 ppm2 2.558 CV 1 ASSI { 1245} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.200 3.200 2.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 8.363 ppm2 2.913 CV 1 ASSI { 1247} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.800 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 7.126 ppm2 2.913 CV 1 ASSI { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.900 1.100 1.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.74117E-02 ppm1 9.072 ppm2 1.704 CV 1 OR { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 1251} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.000 0.500 0.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.546 ppm2 2.973 CV 1 ASSI { 1252} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB3 )) 1.900 1.900 4.100 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.454 ppm2 2.122 CV 1 ASSI { 1253} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.400 0.700 0.700 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.454 ppm2 4.445 CV 1 ASSI { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.535 ppm2 3.853 CV 1 OR { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.199 ppm2 3.820 CV 1 OR { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.600 0.800 0.800 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.536 ppm2 3.820 CV 1 OR { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1258} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.400 0.700 0.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.310 ppm2 4.395 CV 1 ASSI { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB3 )) 3.000 3.000 3.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.309 ppm2 2.615 CV 1 OR { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.310 ppm2 4.257 CV 1 ASSI { 1261} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.198 ppm2 4.256 CV 1 ASSI { 1262} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.000 1.200 1.200 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.198 ppm2 2.050 CV 1 ASSI { 1263} (( segid " " and resid 162 and name HN )) (( segid " " and resid 156 and name HB3 )) 1.900 1.900 4.100 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.158 ppm2 3.853 CV 1 OR { 1263} (( segid " " and resid 162 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 1265} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.000 1.100 1.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.159 ppm2 1.880 CV 1 ASSI { 1266} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HG3 )) 1.900 1.900 4.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.239 ppm2 2.186 CV 1 OR { 1266} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HG2 )) ASSI { 1267} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB3 )) 1.900 1.900 4.100 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.239 ppm2 1.996 CV 1 ASSI { 1268} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.159 ppm2 4.227 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.158 ppm2 1.511 CV 1 ASSI { 1270} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.900 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 8.472 ppm2 7.078 CV 1 ASSI { 1271} (( segid " " and resid 151 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 7.547 ppm2 6.866 CV 1 ASSI { 1272} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 2.900 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 7.830 ppm2 9.723 CV 1 ASSI { 1273} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.74172E-02 ppm1 9.875 ppm2 8.357 CV 1 ASSI { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.300 3.300 2.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.74172E-02 ppm1 8.472 ppm2 1.756 CV 1 OR { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 1276} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB3 )) 3.700 1.700 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.74273E-02 ppm1 6.778 ppm2 2.207 CV 1 ASSI { 1277} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB2 )) 3.000 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.74273E-02 ppm1 6.778 ppm2 2.003 CV 1 ASSI { 1279} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB3 )) 2.800 2.800 3.200 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.74273E-02 ppm1 6.778 ppm2 1.319 CV 1 ASSI { 1280} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HB3 )) 2.900 2.900 3.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.74273E-02 ppm1 7.702 ppm2 1.765 CV 1 ASSI { 1} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 1.963 ppm2 4.165 CV 1 ASSI { 9} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 0.779 ppm2 2.875 CV 1 ASSI { 14} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 127 and name HA )) 2.100 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 3.846 ppm2 4.122 CV 1 ASSI { 15} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 147 and name HD% ) 2.600 2.600 3.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 5.224 ppm2 6.859 CV 1 ASSI { 19} (( segid " " and resid 127 and name HB )) (( segid " " and resid 127 and name HA )) 1.800 1.800 4.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.941 ppm2 4.123 CV 1 ASSI { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD2%) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.510 ppm2 0.727 CV 1 OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD1%) OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD2%) OR { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD1%) ASSI { 29} (( segid " " and resid 162 and name HA )) ( segid " " and resid 164 and name HD1%) 2.600 2.600 3.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 4.199 ppm2 0.733 CV 1 ASSI { 34} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HB3 )) 1.900 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.473 ppm2 1.601 CV 1 ASSI { 37} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 -0.191 ppm2 4.272 CV 1 ASSI { 44} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 116 and name HB2 )) 2.700 2.700 3.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 2.191 ppm2 2.190 CV 1 ASSI { 48} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 1.800 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.685 ppm2 1.804 CV 1 ASSI { 50} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 4.185 ppm2 1.988 CV 1 ASSI { 54} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.900 0.400 0.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.990 ppm2 2.202 CV 1 ASSI { 58} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.600 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.939 ppm2 5.347 CV 1 OR { 58} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 63} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB3 )) 1.800 0.400 0.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.994 ppm2 2.253 CV 1 ASSI { 69} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 2.100 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 2.001 ppm2 4.036 CV 1 OR { 69} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) ASSI { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB3 )) 1.200 0.200 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.29018E+00 ppm1 1.516 ppm2 1.514 CV 1 OR { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB2 )) ASSI { 112} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.400 1.400 4.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.25141E+00 ppm1 2.624 ppm2 2.616 CV 1 ASSI { 115} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 105 and name HG2%) 1.200 0.200 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.24547E+00 ppm1 0.717 ppm2 0.718 CV 1 ASSI { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HG2 )) 1.800 1.800 4.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.57738E-01 ppm1 1.867 ppm2 1.960 CV 1 OR { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HB2 )) OR { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HB3 )) ASSI { 172} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.53345E-01 ppm1 2.258 ppm2 2.015 CV 1 ASSI { 173} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 2.200 0.600 0.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.52243E-01 ppm1 2.025 ppm2 1.919 CV 1 ASSI { 181} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HB2 )) 2.000 2.000 4.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.41703E-01 ppm1 1.918 ppm2 2.018 CV 1 ASSI { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG3 )) 1.900 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.33401E-01 ppm1 1.979 ppm2 2.173 CV 1 OR { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG2 )) ASSI { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 1.900 0.400 0.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.27774E-01 ppm1 1.662 ppm2 1.510 CV 1 OR { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) ASSI { 210} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 152 and name HG13)) 2.300 2.300 3.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.26759E-01 ppm1 1.511 ppm2 1.412 CV 1 OR { 210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 152 and name HG13)) ASSI { 216} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.800 0.400 0.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.24232E-01 ppm1 2.592 ppm2 2.702 CV 1 ASSI { 221} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HG13)) 1.700 0.400 0.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.23334E-01 ppm1 1.052 ppm2 1.323 CV 1 ASSI { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.21949E-01 ppm1 1.977 ppm2 2.194 CV 1 OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) ASSI { 227} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HG )) 1.900 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.21275E-01 ppm1 0.784 ppm2 1.464 CV 1 OR { 227} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HG )) ASSI { 245} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 128 and name HA )) 1.500 1.500 4.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.18749E-01 ppm1 0.712 ppm2 4.204 CV 1 OR { 245} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 128 and name HA )) ASSI { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG2 )) 2.000 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.18180E-01 ppm1 1.559 ppm2 1.267 CV 1 OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG3 )) OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 253} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD2%) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17699E-01 ppm1 1.511 ppm2 0.731 CV 1 OR { 253} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) ASSI { 255} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 127 and name HG2%) 1.800 0.400 0.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.17313E-01 ppm1 1.132 ppm2 0.754 CV 1 ASSI { 258} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HG3 )) 1.800 0.400 0.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.17139E-01 ppm1 2.324 ppm2 2.498 CV 1 ASSI { 261} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16982E-01 ppm1 1.696 ppm2 0.706 CV 1 ASSI { 266} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HG2%) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16724E-01 ppm1 3.938 ppm2 1.093 CV 1 ASSI { 268} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.900 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.16418E-01 ppm1 2.973 ppm2 2.704 CV 1 ASSI { 273} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) 2.100 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.15968E-01 ppm1 1.697 ppm2 0.787 CV 1 ASSI { 279} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB2 )) 2.100 0.500 0.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.15590E-01 ppm1 1.914 ppm2 1.744 CV 1 OR { 279} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB3 )) ASSI { 281} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.100 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.15547E-01 ppm1 4.180 ppm2 0.844 CV 1 ASSI { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB3 )) 2.000 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.14820E-01 ppm1 0.829 ppm2 1.741 CV 1 OR { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB2 )) ASSI { 291} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.14710E-01 ppm1 2.602 ppm2 4.534 CV 1 ASSI { 296} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HD1%) 2.100 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14296E-01 ppm1 1.056 ppm2 0.727 CV 1 ASSI { 298} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 105 and name HG2%) 2.000 0.500 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.14157E-01 ppm1 0.864 ppm2 0.716 CV 1 ASSI { 302} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HA )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 0.688 ppm2 3.743 CV 1 ASSI { 310} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 119 and name HD1%) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.13237E-01 ppm1 0.876 ppm2 0.753 CV 1 ASSI { 313} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB2 )) 1.900 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13166E-01 ppm1 2.884 ppm2 1.600 CV 1 OR { 313} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 315} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.13049E-01 ppm1 3.913 ppm2 4.075 CV 1 OR { 315} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) ASSI { 317} ( segid " " and resid 139 and name HG1%) ( segid " " and resid 144 and name HG2%) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12960E-01 ppm1 0.822 ppm2 1.093 CV 1 ASSI { 325} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HB2 )) 1.800 0.400 0.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.12403E-01 ppm1 1.740 ppm2 1.596 CV 1 ASSI { 336} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.11999E-01 ppm1 2.798 ppm2 2.661 CV 1 ASSI { 344} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.400 2.400 3.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.11458E-01 ppm1 2.628 ppm2 2.511 CV 1 ASSI { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB3 )) 2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.11325E-01 ppm1 4.387 ppm2 3.812 CV 1 OR { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 351} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11108E-01 ppm1 4.230 ppm2 1.503 CV 1 ASSI { 353} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.200 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11083E-01 ppm1 1.334 ppm2 0.725 CV 1 ASSI { 354} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HB3 )) 1.800 0.400 0.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11079E-01 ppm1 1.707 ppm2 1.837 CV 1 ASSI { 358} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HB )) 1.700 0.400 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 0.689 ppm2 2.136 CV 1 ASSI { 366} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.300 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.10661E-01 ppm1 2.884 ppm2 0.709 CV 1 ASSI { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD3 )) 2.200 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10252E-01 ppm1 2.806 ppm2 1.545 CV 1 OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD3 )) OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD2 )) OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD2 )) ASSI { 376} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10247E-01 ppm1 0.753 ppm2 4.166 CV 1 ASSI { 377} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10104E-01 ppm1 1.858 ppm2 0.819 CV 1 ASSI { 387} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.800 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.97847E-02 ppm1 1.250 ppm2 1.414 CV 1 ASSI { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB2 )) 2.300 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.97644E-02 ppm1 4.533 ppm2 2.605 CV 1 OR { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB3 )) ASSI { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD1%) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.97601E-02 ppm1 1.099 ppm2 0.662 CV 1 OR { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD2%) ASSI { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) 2.300 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.97264E-02 ppm1 4.011 ppm2 0.763 CV 1 OR { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) ASSI { 392} (( segid " " and resid 129 and name HA1 )) (( segid " " and resid 129 and name HA2 )) 1.800 0.400 0.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.97046E-02 ppm1 3.711 ppm2 4.001 CV 1 ASSI { 400} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 127 and name HA )) 1.700 1.700 4.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.95576E-02 ppm1 1.100 ppm2 4.160 CV 1 ASSI { 402} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.94849E-02 ppm1 4.001 ppm2 3.708 CV 1 ASSI { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.94732E-02 ppm1 1.693 ppm2 1.281 CV 1 OR { 403} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD1%) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.93106E-02 ppm1 4.454 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) ASSI { 412} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 140 and name HD2%) 2.100 0.500 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.91289E-02 ppm1 0.450 ppm2 0.856 CV 1 OR { 412} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 140 and name HD1%) ASSI { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.90711E-02 ppm1 1.996 ppm2 2.147 CV 1 OR { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.300 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.90699E-02 ppm1 2.246 ppm2 2.150 CV 1 OR { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG2 )) ASSI { 420} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HA )) 2.200 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.90281E-02 ppm1 0.704 ppm2 5.019 CV 1 ASSI { 428} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 134 and name HA1 )) 2.100 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.88901E-02 ppm1 3.922 ppm2 3.522 CV 1 ASSI { 430} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.000 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.88667E-02 ppm1 0.401 ppm2 -0.190 CV 1 ASSI { 432} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.400 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.88358E-02 ppm1 1.859 ppm2 4.170 CV 1 ASSI { 434} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 119 and name HD1%) 2.000 0.500 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.88166E-02 ppm1 0.450 ppm2 0.754 CV 1 ASSI { 435} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.700 2.700 3.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.88108E-02 ppm1 4.230 ppm2 1.642 CV 1 ASSI { 439} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HG3 )) 2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.86713E-02 ppm1 1.957 ppm2 2.196 CV 1 ASSI { 442} (( segid " " and resid 117 and name HA )) ( segid " " and resid 139 and name HG2%) 2.800 2.800 3.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.86568E-02 ppm1 4.350 ppm2 0.722 CV 1 ASSI { 445} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 2.100 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.86294E-02 ppm1 4.091 ppm2 3.468 CV 1 ASSI { 449} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HB2 )) 1.900 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.85349E-02 ppm1 1.480 ppm2 1.305 CV 1 ASSI { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.85157E-02 ppm1 3.962 ppm2 0.820 CV 1 OR { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG1%) ASSI { 451} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.85005E-02 ppm1 1.094 ppm2 0.737 CV 1 ASSI { 452} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) 2.700 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.84985E-02 ppm1 2.202 ppm2 4.038 CV 1 OR { 452} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HA )) ASSI { 454} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 117 and name HB2 )) 2.700 2.700 3.300 peak 454 spectrum 1 weight 0.10000E+01 volume 0.84079E-02 ppm1 2.883 ppm2 1.300 CV 1 OR { 454} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 117 and name HB2 )) ASSI { 458} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.82562E-02 ppm1 2.260 ppm2 4.228 CV 1 ASSI { 462} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.81550E-02 ppm1 2.674 ppm2 2.793 CV 1 ASSI { 463} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HD1%) 2.300 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.81511E-02 ppm1 1.056 ppm2 0.757 CV 1 OR { 463} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HG2%) ASSI { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.400 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.80346E-02 ppm1 0.785 ppm2 1.312 CV 1 OR { 473} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HB2 )) OR { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB2 )) ASSI { 474} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.80284E-02 ppm1 3.410 ppm2 4.413 CV 1 ASSI { 487} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.77196E-02 ppm1 4.414 ppm2 4.412 CV 1 ASSI { 491} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 119 and name HD2%) 2.000 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.76759E-02 ppm1 -0.190 ppm2 0.452 CV 1 ASSI { 493} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.75852E-02 ppm1 1.297 ppm2 1.455 CV 1 OR { 493} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG )) ASSI { 503} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.74582E-02 ppm1 0.401 ppm2 1.256 CV 1 ASSI { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD2%) 2.500 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.74230E-02 ppm1 1.480 ppm2 0.787 CV 1 OR { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD1%) ASSI { 508} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.300 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.72987E-02 ppm1 2.972 ppm2 4.338 CV 1 ASSI { 510} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.600 2.600 3.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.72898E-02 ppm1 0.714 ppm2 1.405 CV 1 ASSI { 511} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB2 )) 2.500 2.500 3.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.72753E-02 ppm1 1.098 ppm2 1.965 CV 1 ASSI { 519} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.71432E-02 ppm1 2.712 ppm2 4.477 CV 1 ASSI { 521} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.71373E-02 ppm1 1.093 ppm2 5.448 CV 1 ASSI { 527} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 2.100 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.70021E-02 ppm1 4.414 ppm2 3.407 CV 1 ASSI { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG3 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.69583E-02 ppm1 2.807 ppm2 1.256 CV 1 OR { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.300 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.68321E-02 ppm1 4.453 ppm2 1.499 CV 1 OR { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD2%) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.68095E-02 ppm1 1.600 ppm2 0.790 CV 1 OR { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD1%) ASSI { 540} (( segid " " and resid 128 and name HA )) ( segid " " and resid 127 and name HG2%) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.67649E-02 ppm1 4.178 ppm2 0.743 CV 1 ASSI { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD2%) 2.200 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.66946E-02 ppm1 1.428 ppm2 0.830 CV 1 OR { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD1%) ASSI { 553} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.66176E-02 ppm1 1.774 ppm2 4.256 CV 1 ASSI { 557} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.65855E-02 ppm1 0.770 ppm2 4.010 CV 1 ASSI { 565} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.63800E-02 ppm1 1.767 ppm2 4.009 CV 1 ASSI { 570} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.300 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.63135E-02 ppm1 1.687 ppm2 4.563 CV 1 OR { 570} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) ASSI { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD2%) 2.600 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63034E-02 ppm1 3.918 ppm2 0.791 CV 1 OR { 571} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 110 and name HD2%) OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD1%) ASSI { 578} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HG12)) 1.900 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.61392E-02 ppm1 1.087 ppm2 0.475 CV 1 ASSI { 581} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG2 )) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61267E-02 ppm1 2.980 ppm2 1.243 CV 1 OR { 581} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) 2.500 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.60970E-02 ppm1 1.687 ppm2 1.542 CV 1 OR { 585} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) OR { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) ASSI { 596} (( segid " " and resid 100 and name HA )) (( segid " " and resid 128 and name HA )) 2.400 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.59630E-02 ppm1 4.396 ppm2 4.163 CV 1 ASSI { 597} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HA )) 2.500 0.800 0.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.59329E-02 ppm1 2.804 ppm2 4.665 CV 1 ASSI { 598} (( segid " " and resid 127 and name HB )) ( segid " " and resid 127 and name HG1%) 2.000 0.500 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.59215E-02 ppm1 1.941 ppm2 1.131 CV 1 ASSI { 605} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HG2 )) 2.000 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.58160E-02 ppm1 2.459 ppm2 1.887 CV 1 ASSI { 608} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.57363E-02 ppm1 5.016 ppm2 0.819 CV 1 ASSI { 612} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG3 )) 2.600 2.600 3.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 0.690 ppm2 2.367 CV 1 ASSI { 616} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB3 )) 2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.56179E-02 ppm1 2.504 ppm2 2.199 CV 1 ASSI { 618} (( segid " " and resid 139 and name HA )) (( segid " " and resid 144 and name HA )) 1.900 0.400 0.400 peak 618 spectrum 1 weight 0.10000E+01 volume 0.55682E-02 ppm1 5.024 ppm2 5.450 CV 1 ASSI { 619} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB3 )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.55632E-02 ppm1 4.046 ppm2 1.999 CV 1 ASSI { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.12371E-01 ppm1 1.686 ppm2 1.256 CV 1 OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB3 )) 2.400 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.55323E-02 ppm1 1.889 ppm2 1.743 CV 1 OR { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB2 )) ASSI { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HD1%) 2.500 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.55073E-02 ppm1 3.746 ppm2 0.657 CV 1 OR { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 629} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 3.000 3.000 3.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.54518E-02 ppm1 4.661 ppm2 4.657 CV 1 ASSI { 630} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 158 and name HA )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.54436E-02 ppm1 2.178 ppm2 4.257 CV 1 OR { 630} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) ASSI { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.54037E-02 ppm1 1.334 ppm2 0.758 CV 1 OR { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HG2%) ASSI { 635} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.53881E-02 ppm1 0.658 ppm2 5.034 CV 1 ASSI { 636} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 106 and name HB% ) 2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.53787E-02 ppm1 1.261 ppm2 0.844 CV 1 OR { 636} (( segid " " and resid 153 and name HG3 )) ( segid " " and resid 106 and name HB% ) ASSI { 637} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HA )) 1.900 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.53775E-02 ppm1 5.170 ppm2 5.858 CV 1 ASSI { 638} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 125 and name HB )) 2.700 2.700 3.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.53732E-02 ppm1 1.599 ppm2 1.300 CV 1 ASSI { 642} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.53392E-02 ppm1 0.449 ppm2 4.651 CV 1 ASSI { 654} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.52095E-02 ppm1 2.253 ppm2 4.545 CV 1 ASSI { 655} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.51942E-02 ppm1 1.913 ppm2 2.322 CV 1 ASSI { 656} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 145 and name HA2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.51849E-02 ppm1 3.813 ppm2 4.418 CV 1 ASSI { 657} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HB )) 2.000 0.500 0.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.51774E-02 ppm1 0.869 ppm2 2.147 CV 1 ASSI { 658} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.600 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.51751E-02 ppm1 4.400 ppm2 1.618 CV 1 ASSI { 660} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG12)) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 0.718 ppm2 1.112 CV 1 ASSI { 661} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG3 )) 2.900 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.51661E-02 ppm1 2.979 ppm2 1.417 CV 1 OR { 661} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG3 )) ASSI { 664} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.51520E-02 ppm1 4.045 ppm2 1.954 CV 1 ASSI { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) 3.200 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 4.823 ppm2 0.722 CV 1 ASSI { 670} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG3 )) 2.100 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.50770E-02 ppm1 2.081 ppm2 2.359 CV 1 ASSI { 671} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 2.600 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.50653E-02 ppm1 2.627 ppm2 4.494 CV 1 ASSI { 673} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.50586E-02 ppm1 0.754 ppm2 4.122 CV 1 ASSI { 676} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 127 and name HG1%) 2.200 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.50410E-02 ppm1 0.401 ppm2 1.131 CV 1 ASSI { 678} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.50289E-02 ppm1 1.997 ppm2 4.546 CV 1 ASSI { 683} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 125 and name HD1%) 2.200 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.49500E-02 ppm1 1.086 ppm2 -0.190 CV 1 ASSI { 684} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG3 )) 2.600 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.49496E-02 ppm1 1.910 ppm2 2.360 CV 1 ASSI { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.49488E-02 ppm1 4.773 ppm2 1.935 CV 1 OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) ASSI { 686} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.49453E-02 ppm1 0.770 ppm2 1.050 CV 1 ASSI { 692} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.500 0.800 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.48773E-02 ppm1 4.186 ppm2 2.196 CV 1 ASSI { 693} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.700 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.48749E-02 ppm1 2.710 ppm2 4.337 CV 1 ASSI { 698} (( segid " " and resid 107 and name HA )) ( segid " " and resid 121 and name HG1%) 2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.48488E-02 ppm1 4.534 ppm2 0.786 CV 1 ASSI { 699} (( segid " " and resid 123 and name HA )) (( segid " " and resid 119 and name HB3 )) 3.100 3.100 2.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.48441E-02 ppm1 4.397 ppm2 1.999 CV 1 ASSI { 701} (( segid " " and resid 154 and name HA )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.48406E-02 ppm1 4.337 ppm2 5.000 CV 1 ASSI { 704} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 2.169 ppm2 4.158 CV 1 OR { 704} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) ASSI { 706} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG2 )) 2.400 2.400 3.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 0.690 ppm2 2.327 CV 1 ASSI { 709} (( segid " " and resid 153 and name HD3 )) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.47722E-02 ppm1 1.555 ppm2 0.845 CV 1 ASSI { 710} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) 2.600 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.47378E-02 ppm1 0.754 ppm2 4.817 CV 1 ASSI { 713} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 144 and name HA )) 3.300 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.47272E-02 ppm1 0.824 ppm2 5.448 CV 1 ASSI { 714} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.47198E-02 ppm1 0.400 ppm2 4.272 CV 1 ASSI { 715} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 105 and name HG1%) 3.000 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.47014E-02 ppm1 0.662 ppm2 0.858 CV 1 ASSI { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HG )) 2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.46991E-02 ppm1 1.707 ppm2 1.505 CV 1 OR { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HB2 )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB2 )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HG )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB3 )) ASSI { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG2 )) 2.400 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 0.838 ppm2 2.150 CV 1 OR { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG3 )) ASSI { 723} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.46194E-02 ppm1 4.665 ppm2 2.658 CV 1 ASSI { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG2%) 2.800 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.45861E-02 ppm1 5.038 ppm2 0.657 CV 1 OR { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HD1%) ASSI { 728} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 141 and name HB2 )) 1.900 1.900 4.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.45592E-02 ppm1 2.979 ppm2 2.754 CV 1 OR { 728} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 141 and name HB2 )) ASSI { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.45455E-02 ppm1 0.450 ppm2 0.676 CV 1 OR { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD2%) ASSI { 731} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.45166E-02 ppm1 0.717 ppm2 1.773 CV 1 ASSI { 733} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.45111E-02 ppm1 0.657 ppm2 1.797 CV 1 ASSI { 736} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.600 0.900 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.44900E-02 ppm1 4.706 ppm2 2.664 CV 1 ASSI { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.800 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.44654E-02 ppm1 4.823 ppm2 0.752 CV 1 OR { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 742} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.44224E-02 ppm1 1.597 ppm2 4.205 CV 1 ASSI { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD3 )) 2.600 0.800 0.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.44165E-02 ppm1 0.839 ppm2 1.542 CV 1 OR { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD2 )) ASSI { 751} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 106 and name HA )) 3.100 3.100 2.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.44029E-02 ppm1 0.780 ppm2 4.204 CV 1 ASSI { 752} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.44013E-02 ppm1 0.869 ppm2 3.738 CV 1 ASSI { 753} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.44001E-02 ppm1 2.505 ppm2 1.988 CV 1 ASSI { 754} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HA )) 2.300 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.43970E-02 ppm1 5.384 ppm2 4.818 CV 1 ASSI { 756} (( segid " " and resid 106 and name HA )) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.43884E-02 ppm1 4.184 ppm2 0.706 CV 1 ASSI { 757} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG13)) 2.600 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.43833E-02 ppm1 1.767 ppm2 1.325 CV 1 ASSI { 758} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) 2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.43817E-02 ppm1 1.261 ppm2 -0.191 CV 1 ASSI { 762} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HD1%) 1.800 0.400 0.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12872E-01 ppm1 1.169 ppm2 -0.190 CV 1 ASSI { 767} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.200 0.600 0.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.42973E-02 ppm1 1.501 ppm2 2.962 CV 1 ASSI { 770} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.600 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.42231E-02 ppm1 2.448 ppm2 1.996 CV 1 ASSI { 773} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.42043E-02 ppm1 0.821 ppm2 1.155 CV 1 OR { 773} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 787} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.41097E-02 ppm1 4.412 ppm2 1.754 CV 1 ASSI { 790} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HA )) 3.000 3.000 3.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.40597E-02 ppm1 4.539 ppm2 4.766 CV 1 ASSI { 791} (( segid " " and resid 132 and name HA )) (( segid " " and resid 130 and name HA )) 2.900 2.900 3.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.40398E-02 ppm1 4.537 ppm2 4.309 CV 1 ASSI { 796} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HA )) 2.000 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.40038E-02 ppm1 4.773 ppm2 5.346 CV 1 ASSI { 799} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.39898E-02 ppm1 4.185 ppm2 2.317 CV 1 ASSI { 802} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.39835E-02 ppm1 2.198 ppm2 2.315 CV 1 ASSI { 803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) 2.300 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.39757E-02 ppm1 0.482 ppm2 -0.191 CV 1 ASSI { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD3 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.39648E-02 ppm1 4.661 ppm2 3.607 CV 1 OR { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) 2.600 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.39612E-02 ppm1 1.687 ppm2 1.988 CV 1 OR { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 809} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) 2.300 0.700 0.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.39464E-02 ppm1 2.282 ppm2 2.902 CV 1 ASSI { 815} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG12)) 2.600 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.39139E-02 ppm1 0.754 ppm2 1.112 CV 1 ASSI { 821} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HB3 )) 2.700 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.38754E-02 ppm1 2.523 ppm2 2.058 CV 1 ASSI { 826} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.38306E-02 ppm1 4.707 ppm2 2.795 CV 1 ASSI { 827} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.38266E-02 ppm1 1.845 ppm2 4.590 CV 1 ASSI { 831} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.900 1.900 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.37935E-02 ppm1 0.836 ppm2 0.402 CV 1 ASSI { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HD1%) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.37773E-02 ppm1 1.301 ppm2 0.676 CV 1 OR { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) ASSI { 837} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HA )) 2.000 0.500 0.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.37636E-02 ppm1 3.746 ppm2 5.035 CV 1 ASSI { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.37471E-02 ppm1 1.182 ppm2 0.636 CV 1 OR { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG3 )) ASSI { 840} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HG2%) 2.200 2.200 3.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12872E-01 ppm1 1.756 ppm2 0.396 CV 1 ASSI { 844} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.37077E-02 ppm1 1.933 ppm2 4.765 CV 1 OR { 844} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 846} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12872E-01 ppm1 1.750 ppm2 -0.185 CV 1 ASSI { 851} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HD1%) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.36670E-02 ppm1 0.659 ppm2 -0.191 CV 1 ASSI { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HD1%) 2.200 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.36612E-02 ppm1 1.804 ppm2 0.658 CV 1 OR { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) ASSI { 853} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 162 and name HB3 )) 3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.36604E-02 ppm1 0.730 ppm2 1.598 CV 1 ASSI { 856} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.36283E-02 ppm1 2.080 ppm2 4.328 CV 1 ASSI { 857} (( segid " " and resid 143 and name HE2 )) ( segid " " and resid 139 and name HG2%) 2.000 2.000 4.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.36261E-02 ppm1 2.978 ppm2 0.722 CV 1 OR { 857} (( segid " " and resid 143 and name HE3 )) ( segid " " and resid 139 and name HG2%) ASSI { 860} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 152 and name HD1%) 2.100 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.36113E-02 ppm1 2.597 ppm2 0.679 CV 1 ASSI { 863} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.36040E-02 ppm1 3.939 ppm2 5.448 CV 1 ASSI { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD2 )) 2.000 2.000 4.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.35954E-02 ppm1 2.980 ppm2 3.631 CV 1 OR { 865} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 868} (( segid " " and resid 135 and name HA )) (( segid " " and resid 148 and name HA )) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.35876E-02 ppm1 4.778 ppm2 3.680 CV 1 ASSI { 877} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.35335E-02 ppm1 4.398 ppm2 2.330 CV 1 ASSI { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG3 )) 2.200 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.35251E-02 ppm1 0.045 ppm2 0.645 CV 1 OR { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 879} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.35247E-02 ppm1 1.696 ppm2 2.875 CV 1 ASSI { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG2 )) 2.900 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.35109E-02 ppm1 4.551 ppm2 2.150 CV 1 OR { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) ASSI { 886} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.35030E-02 ppm1 2.735 ppm2 2.324 CV 1 ASSI { 889} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.600 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.34850E-02 ppm1 1.910 ppm2 4.326 CV 1 ASSI { 893} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.200 0.600 0.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.34704E-02 ppm1 2.942 ppm2 5.005 CV 1 ASSI { 896} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG13)) 2.700 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.34593E-02 ppm1 0.770 ppm2 1.326 CV 1 ASSI { 900} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.34459E-02 ppm1 0.482 ppm2 0.399 CV 1 ASSI { 901} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) 2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 4.011 ppm2 0.727 CV 1 ASSI { 905} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HG13)) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.34229E-02 ppm1 0.401 ppm2 1.087 CV 1 ASSI { 909} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.34016E-02 ppm1 4.340 ppm2 4.566 CV 1 ASSI { 912} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HB3 )) 4.000 2.000 2.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 0.826 ppm2 2.044 CV 1 ASSI { 913} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 138 and name HA2 )) 2.100 0.500 0.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.33894E-02 ppm1 3.843 ppm2 5.218 CV 1 ASSI { 914} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.200 2.200 3.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.12872E-01 ppm1 1.166 ppm2 4.276 CV 1 ASSI { 915} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HB2 )) 2.200 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 2.171 ppm2 1.858 CV 1 OR { 915} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HB2 )) ASSI { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) 2.700 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.33352E-02 ppm1 4.524 ppm2 1.938 CV 1 OR { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) ASSI { 923} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 144 and name HA )) 2.600 0.900 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.33298E-02 ppm1 0.704 ppm2 5.449 CV 1 ASSI { 924} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.33198E-02 ppm1 4.543 ppm2 1.596 CV 1 ASSI { 925} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.900 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.33170E-02 ppm1 0.730 ppm2 1.761 CV 1 ASSI { 930} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 2.100 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.32933E-02 ppm1 1.255 ppm2 1.414 CV 1 ASSI { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) 2.800 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.32898E-02 ppm1 5.382 ppm2 1.986 CV 1 OR { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 936} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HA )) 3.400 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.32450E-02 ppm1 4.284 ppm2 5.203 CV 1 ASSI { 940} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 146 and name HB3 )) 3.600 1.600 1.600 peak 940 spectrum 1 weight 0.10000E+01 volume 0.32167E-02 ppm1 1.731 ppm2 2.051 CV 1 OR { 940} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 146 and name HB3 )) ASSI { 944} (( segid " " and resid 156 and name HA )) (( segid " " and resid 129 and name HA2 )) 3.000 3.000 3.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.31952E-02 ppm1 4.438 ppm2 3.998 CV 1 ASSI { 949} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.31700E-02 ppm1 0.689 ppm2 1.446 CV 1 ASSI { 958} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HB2 )) 3.200 1.300 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.31331E-02 ppm1 1.510 ppm2 1.933 CV 1 ASSI { 959} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.600 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.31275E-02 ppm1 2.597 ppm2 5.003 CV 1 ASSI { 965} (( segid " " and resid 106 and name HA )) ( segid " " and resid 121 and name HG1%) 2.900 2.900 3.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.31103E-02 ppm1 4.178 ppm2 0.792 CV 1 ASSI { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD2%) 2.600 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.30573E-02 ppm1 1.746 ppm2 0.849 CV 1 OR { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD1%) ASSI { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA2 )) 2.900 1.000 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.30394E-02 ppm1 4.225 ppm2 3.819 CV 1 OR { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA1 )) ASSI { 983} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 152 and name HD1%) 3.400 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.30379E-02 ppm1 2.942 ppm2 0.678 CV 1 ASSI { 994} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.100 0.500 0.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.29802E-02 ppm1 1.743 ppm2 1.159 CV 1 ASSI { 1001} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 137 and name HG3 )) 3.300 1.400 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.29531E-02 ppm1 1.973 ppm2 2.427 CV 1 ASSI { 1009} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 145 and name HA2 )) 3.000 3.000 3.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 1.726 ppm2 4.445 CV 1 OR { 1009} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 145 and name HA2 )) ASSI { 1010} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 123 and name HA )) 2.800 2.800 3.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.29189E-02 ppm1 1.529 ppm2 4.392 CV 1 ASSI { 1011} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) 3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.29181E-02 ppm1 1.294 ppm2 4.658 CV 1 OR { 1011} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 1013} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.29168E-02 ppm1 0.844 ppm2 6.906 CV 1 ASSI { 1017} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12244E-01 ppm1 2.324 ppm2 2.081 CV 1 OR { 1017} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 1019} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.200 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.28866E-02 ppm1 1.252 ppm2 1.837 CV 1 ASSI { 1023} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.200 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.28636E-02 ppm1 0.653 ppm2 0.040 CV 1 ASSI { 1025} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.28589E-02 ppm1 5.345 ppm2 1.598 CV 1 ASSI { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.28378E-02 ppm1 4.352 ppm2 0.686 CV 1 OR { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) ASSI { 1032} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 109 and name HA )) 2.800 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.28313E-02 ppm1 3.610 ppm2 4.659 CV 1 OR { 1032} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 109 and name HA )) ASSI { 1035} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.28194E-02 ppm1 2.503 ppm2 4.184 CV 1 ASSI { 1037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG13)) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.28152E-02 ppm1 1.262 ppm2 1.081 CV 1 ASSI { 1043} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.28021E-02 ppm1 5.171 ppm2 2.055 CV 1 ASSI { 1047} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 136 and name HA )) 2.700 0.900 0.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.27865E-02 ppm1 0.821 ppm2 5.197 CV 1 ASSI { 1049} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 161 and name HB3 )) 3.100 3.100 2.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27763E-02 ppm1 3.778 ppm2 2.016 CV 1 OR { 1049} (( segid " " and resid 159 and name HB3 )) (( segid " " and resid 161 and name HB3 )) ASSI { 1062} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.27194E-02 ppm1 1.765 ppm2 1.052 CV 1 ASSI { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB3 )) 2.700 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.26983E-02 ppm1 5.004 ppm2 1.496 CV 1 OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HG )) OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 1079} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 2.300 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.26884E-02 ppm1 2.652 ppm2 2.826 CV 1 ASSI { 1080} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.26794E-02 ppm1 2.886 ppm2 1.754 CV 1 OR { 1080} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB3 )) ASSI { 1081} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 139 and name HG2%) 3.300 3.300 2.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.26588E-02 ppm1 1.246 ppm2 0.723 CV 1 ASSI { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.26568E-02 ppm1 2.333 ppm2 0.821 CV 1 ASSI { 1089} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.26376E-02 ppm1 4.400 ppm2 2.732 CV 1 ASSI { 1090} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HA )) 3.000 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.26330E-02 ppm1 1.053 ppm2 4.009 CV 1 ASSI { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG3 )) 2.100 2.100 3.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 0.715 ppm2 1.987 CV 1 OR { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG2 )) ASSI { 1099} (( segid " " and resid 108 and name HA )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.25888E-02 ppm1 4.082 ppm2 4.544 CV 1 ASSI { 1101} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.600 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.25800E-02 ppm1 0.674 ppm2 -0.190 CV 1 ASSI { 1104} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.25639E-02 ppm1 4.173 ppm2 1.871 CV 1 ASSI { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.400 1.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.25338E-02 ppm1 1.254 ppm2 0.722 CV 1 ASSI { 1111} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.25210E-02 ppm1 1.422 ppm2 4.588 CV 1 ASSI { 1112} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 127 and name HG2%) 3.600 1.600 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.25203E-02 ppm1 5.223 ppm2 0.739 CV 1 ASSI { 1115} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.25129E-02 ppm1 0.659 ppm2 6.853 CV 1 ASSI { 1116} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HG2 )) 3.400 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.25116E-02 ppm1 3.610 ppm2 1.967 CV 1 OR { 1116} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HG2 )) ASSI { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD1%) 3.700 1.700 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 5.003 ppm2 0.722 CV 1 ASSI { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.24795E-02 ppm1 1.256 ppm2 0.677 CV 1 OR { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1123} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HA )) 3.500 1.600 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 0.717 ppm2 5.377 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HB2 )) 2.400 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 3.721 ppm2 2.887 CV 1 ASSI { 1142} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.600 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 5.208 ppm2 7.057 CV 1 ASSI { 1148} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.24253E-02 ppm1 0.743 ppm2 1.181 CV 1 ASSI { 1157} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA1 )) 3.900 1.900 1.900 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.23991E-02 ppm1 0.400 ppm2 3.843 CV 1 ASSI { 1161} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 143 and name HG2 )) 2.600 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.23878E-02 ppm1 1.256 ppm2 1.245 CV 1 ASSI { 1162} ( segid " " and resid 162 and name HD1%) (( segid " " and resid 158 and name HB2 )) 2.900 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 0.750 ppm2 1.893 CV 1 OR { 1162} ( segid " " and resid 162 and name HD2%) (( segid " " and resid 158 and name HB2 )) ASSI { 1166} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.23744E-02 ppm1 1.774 ppm2 1.112 CV 1 ASSI { 1170} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 127 and name HG1%) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.23622E-02 ppm1 0.860 ppm2 1.127 CV 1 ASSI { 1179} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.23304E-02 ppm1 1.260 ppm2 4.272 CV 1 ASSI { 1181} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.900 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 1.424 ppm2 1.837 CV 1 ASSI { 1185} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 2.600 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.23085E-02 ppm1 2.196 ppm2 4.767 CV 1 ASSI { 1188} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.600 3.600 2.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.23035E-02 ppm1 0.746 ppm2 2.049 CV 1 ASSI { 1194} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 139 and name HG1%) 2.900 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.22878E-02 ppm1 1.932 ppm2 0.818 CV 1 OR { 1194} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 139 and name HG1%) ASSI { 1210} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 2.900 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.22518E-02 ppm1 1.956 ppm2 4.766 CV 1 ASSI { 1213} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB3 )) 3.800 3.800 2.200 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 5.009 ppm2 2.617 CV 1 ASSI { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB2 )) 3.500 1.500 1.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 2.575 ppm2 1.741 CV 1 OR { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 1217} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.22341E-02 ppm1 3.961 ppm2 1.885 CV 1 ASSI { 1222} (( segid " " and resid 119 and name HA )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 4.655 ppm2 0.725 CV 1 ASSI { 1232} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.200 2.200 3.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.21905E-02 ppm1 0.659 ppm2 0.399 CV 1 ASSI { 1233} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.21891E-02 ppm1 1.424 ppm2 0.721 CV 1 ASSI { 1237} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 135 and name HD1 )) 3.000 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 2.153 ppm2 7.025 CV 1 OR { 1237} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 135 and name HD1 )) ASSI { 1239} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 2.901 ppm2 4.534 CV 1 ASSI { 1240} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HA1 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.21788E-02 ppm1 0.704 ppm2 3.468 CV 1 ASSI { 1241} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.21735E-02 ppm1 4.369 ppm2 2.195 CV 1 ASSI { 1243} (( segid " " and resid 161 and name HA )) ( segid " " and resid 164 and name HD1%) 3.200 1.300 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.21691E-02 ppm1 4.133 ppm2 0.731 CV 1 ASSI { 1245} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.21613E-02 ppm1 1.759 ppm2 4.544 CV 1 ASSI { 1249} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.300 3.300 2.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.21540E-02 ppm1 1.092 ppm2 2.055 CV 1 ASSI { 1251} (( segid " " and resid 132 and name HA )) (( segid " " and resid 136 and name HA )) 3.400 3.400 2.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.21523E-02 ppm1 4.536 ppm2 5.198 CV 1 ASSI { 1252} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.21473E-02 ppm1 4.656 ppm2 1.159 CV 1 ASSI { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 5.170 ppm2 1.740 CV 1 OR { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 1255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.21362E-02 ppm1 4.274 ppm2 7.057 CV 1 ASSI { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD2 )) 3.200 3.200 2.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 1.555 ppm2 1.546 CV 1 OR { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD3 )) ASSI { 1259} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB3 )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.21298E-02 ppm1 0.632 ppm2 1.178 CV 1 ASSI { 1263} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB2 )) 3.200 1.200 1.200 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.21224E-02 ppm1 2.188 ppm2 1.607 CV 1 ASSI { 1264} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.21085E-02 ppm1 4.362 ppm2 1.974 CV 1 ASSI { 1266} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 0.716 ppm2 4.451 CV 1 ASSI { 1270} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 140 and name HB2 )) 3.500 3.500 2.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 2.884 ppm2 1.144 CV 1 OR { 1270} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1283} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB )) 2.500 0.800 0.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 0.687 ppm2 1.804 CV 1 ASSI { 1286} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 139 and name HA )) 3.300 1.400 1.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.20556E-02 ppm1 1.093 ppm2 5.020 CV 1 ASSI { 1290} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 0.863 ppm2 1.618 CV 1 ASSI { 1291} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HD% ) 3.100 1.200 1.200 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.20462E-02 ppm1 1.132 ppm2 6.857 CV 1 ASSI { 1296} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.600 1.600 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.20408E-02 ppm1 0.402 ppm2 6.856 CV 1 ASSI { 1307} (( segid " " and resid 151 and name HA )) ( segid " " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.20090E-02 ppm1 4.682 ppm2 6.907 CV 1 ASSI { 1309} (( segid " " and resid 96 and name HA1 )) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.20038E-02 ppm1 3.916 ppm2 4.560 CV 1 OR { 1309} (( segid " " and resid 96 and name HA2 )) (( segid " " and resid 94 and name HA )) ASSI { 1310} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.20014E-02 ppm1 0.715 ppm2 1.675 CV 1 ASSI { 1312} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.19959E-02 ppm1 5.383 ppm2 1.675 CV 1 ASSI { 1314} (( segid " " and resid 164 and name HG13)) (( segid " " and resid 164 and name HA )) 2.900 1.100 1.100 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.19912E-02 ppm1 1.334 ppm2 4.009 CV 1 ASSI { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD1%) 3.600 1.600 1.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.19870E-02 ppm1 0.480 ppm2 0.821 CV 1 OR { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD2%) ASSI { 1321} (( segid " " and resid 125 and name HB )) ( segid " " and resid 127 and name HG1%) 2.800 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.19686E-02 ppm1 1.264 ppm2 1.129 CV 1 ASSI { 1322} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD2%) 2.300 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.19685E-02 ppm1 1.836 ppm2 0.449 CV 1 ASSI { 1323} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.700 1.700 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.19684E-02 ppm1 2.158 ppm2 2.829 CV 1 OR { 1323} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 1326} (( segid " " and resid 105 and name HB )) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.19630E-02 ppm1 2.155 ppm2 2.875 CV 1 ASSI { 1329} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.19587E-02 ppm1 3.677 ppm2 0.634 CV 1 ASSI { 1343} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 2.800 1.000 1.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.19327E-02 ppm1 1.431 ppm2 1.160 CV 1 ASSI { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD1%) 3.700 1.700 1.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.19273E-02 ppm1 1.084 ppm2 0.820 CV 1 OR { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD2%) ASSI { 1349} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.500 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.19266E-02 ppm1 5.038 ppm2 1.795 CV 1 ASSI { 1356} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.19155E-02 ppm1 3.607 ppm2 4.543 CV 1 OR { 1356} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HA )) ASSI { 1357} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.19105E-02 ppm1 1.574 ppm2 4.561 CV 1 OR { 1357} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) ASSI { 1360} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.19057E-02 ppm1 0.690 ppm2 4.566 CV 1 ASSI { 1362} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.19003E-02 ppm1 5.382 ppm2 1.792 CV 1 ASSI { 1363} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 119 and name HD2%) 2.200 2.200 3.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.18998E-02 ppm1 0.657 ppm2 0.447 CV 1 ASSI { 1374} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.400 2.400 3.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 5.166 ppm2 1.966 CV 1 ASSI { 1390} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.18491E-02 ppm1 1.857 ppm2 5.020 CV 1 ASSI { 1396} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HA )) 3.000 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.18316E-02 ppm1 1.776 ppm2 4.817 CV 1 ASSI { 1400} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 4.661 ppm2 2.856 CV 1 ASSI { 1403} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.18177E-02 ppm1 0.742 ppm2 1.609 CV 1 ASSI { 1408} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HA )) 3.300 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.18156E-02 ppm1 1.485 ppm2 5.006 CV 1 ASSI { 1409} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB3 )) 3.100 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.18112E-02 ppm1 4.657 ppm2 1.744 CV 1 ASSI { 1410} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.18109E-02 ppm1 1.747 ppm2 0.678 CV 1 ASSI { 1413} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 1.984 ppm2 4.372 CV 1 ASSI { 1422} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HG2 )) 4.000 2.000 2.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.17903E-02 ppm1 0.829 ppm2 2.465 CV 1 ASSI { 1429} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB3 )) 3.900 1.900 1.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 0.660 ppm2 2.952 CV 1 ASSI { 1441} (( segid " " and resid 149 and name HA )) (( segid " " and resid 105 and name HB )) 4.200 2.200 1.800 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 2.969 ppm2 2.139 CV 1 ASSI { 1445} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG3 )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 1.777 ppm2 2.464 CV 1 ASSI { 1447} (( segid " " and resid 125 and name HB )) ( segid " " and resid 119 and name HD2%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.17432E-02 ppm1 1.261 ppm2 0.462 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.300 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.17391E-02 ppm1 4.536 ppm2 2.269 CV 1 ASSI { 1452} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.17301E-02 ppm1 5.859 ppm2 2.054 CV 1 ASSI { 1457} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.17216E-02 ppm1 0.752 ppm2 6.813 CV 1 ASSI { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.400 1.500 1.500 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.17212E-02 ppm1 5.168 ppm2 2.141 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG2 )) ASSI { 1464} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HA )) 3.500 3.500 2.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 3.657 ppm2 4.515 CV 1 ASSI { 1467} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.300 2.300 3.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.17170E-02 ppm1 0.719 ppm2 -0.157 CV 1 ASSI { 1471} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.17107E-02 ppm1 2.984 ppm2 2.624 CV 1 ASSI { 1473} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.500 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 2.209 ppm2 2.443 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.17011E-02 ppm1 4.779 ppm2 2.828 CV 1 ASSI { 1480} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HB3 )) 3.200 1.300 1.300 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.16947E-02 ppm1 2.978 ppm2 1.849 CV 1 OR { 1480} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HB3 )) ASSI { 1482} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.300 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 4.681 ppm2 2.896 CV 1 ASSI { 1488} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 146 and name HG2 )) 3.400 3.400 2.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.16763E-02 ppm1 2.016 ppm2 2.484 CV 1 ASSI { 1490} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 117 and name HD1%) 3.100 1.200 1.200 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.16715E-02 ppm1 1.166 ppm2 0.677 CV 1 ASSI { 1498} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 0.676 ppm2 6.812 CV 1 ASSI { 1499} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 117 and name HD2%) 4.100 2.100 1.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.16649E-02 ppm1 3.833 ppm2 0.684 CV 1 ASSI { 1502} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HG )) 3.000 1.100 1.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.16602E-02 ppm1 5.343 ppm2 1.456 CV 1 ASSI { 1508} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HB3 )) 3.700 1.700 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.16517E-02 ppm1 0.840 ppm2 2.242 CV 1 ASSI { 1518} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 139 and name HG2%) 2.400 2.400 3.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.12369E-01 ppm1 1.837 ppm2 0.721 CV 1 ASSI { 1522} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.700 1.700 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.16241E-02 ppm1 4.772 ppm2 1.603 CV 1 ASSI { 1524} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HD3 )) 3.400 1.500 1.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 1.296 ppm2 3.606 CV 1 OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD3 )) OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1531} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD1%) 2.700 0.900 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 1.835 ppm2 0.751 CV 1 ASSI { 1532} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 128 and name HG1%) 3.600 1.600 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 1.944 ppm2 0.818 CV 1 ASSI { 1541} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA2 )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.16000E-02 ppm1 0.401 ppm2 5.221 CV 1 ASSI { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD2 )) 3.100 1.200 1.200 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.15823E-02 ppm1 2.968 ppm2 1.549 CV 1 OR { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD3 )) ASSI { 1562} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) 3.000 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.15665E-02 ppm1 0.482 ppm2 4.272 CV 1 ASSI { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD3 )) 3.300 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 0.785 ppm2 3.611 CV 1 OR { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD2 )) ASSI { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE2 )) 3.400 1.500 1.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.15381E-02 ppm1 0.843 ppm2 2.802 CV 1 OR { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE3 )) ASSI { 1580} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HA )) 3.300 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.15329E-02 ppm1 0.701 ppm2 4.659 CV 1 ASSI { 1582} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HG3 )) 2.300 2.300 3.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.15323E-02 ppm1 1.514 ppm2 2.341 CV 1 OR { 1582} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HG2 )) ASSI { 1584} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HG3 )) 2.700 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.15272E-02 ppm1 1.993 ppm2 2.563 CV 1 ASSI { 1585} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HB )) 2.900 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 0.485 ppm2 1.255 CV 1 ASSI { 1586} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) 3.200 1.300 1.300 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.15260E-02 ppm1 0.705 ppm2 4.539 CV 1 ASSI { 1594} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 130 and name HA )) 3.200 1.300 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 0.818 ppm2 4.282 CV 1 ASSI { 1599} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 1.087 ppm2 4.270 CV 1 ASSI { 1613} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.14923E-02 ppm1 1.133 ppm2 5.345 CV 1 ASSI { 1617} (( segid " " and resid 127 and name HA )) (( segid " " and resid 138 and name HA2 )) 2.000 0.500 0.500 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.14803E-02 ppm1 4.132 ppm2 5.226 CV 1 ASSI { 1619} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HG12)) 2.000 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 5.383 ppm2 1.102 CV 1 ASSI { 1622} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HB2 )) 3.400 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 0.450 ppm2 1.617 CV 1 ASSI { 1630} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.300 1.300 1.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.14706E-02 ppm1 4.775 ppm2 2.638 CV 1 ASSI { 1631} (( segid " " and resid 105 and name HA )) ( segid " " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 3.750 ppm2 0.773 CV 1 ASSI { 1633} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 125 and name HG2%) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.14671E-02 ppm1 0.756 ppm2 0.412 CV 1 ASSI { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 3.000 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 4.658 ppm2 1.317 CV 1 OR { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) ASSI { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE2 )) 2.100 0.500 0.500 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.12369E-01 ppm1 1.716 ppm2 2.976 CV 1 OR { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE3 )) ASSI { 1658} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ2 )) 3.300 3.300 2.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 0.756 ppm2 7.382 CV 1 ASSI { 1669} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.900 1.000 1.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.14309E-02 ppm1 5.343 ppm2 1.680 CV 1 ASSI { 1689} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 151 and name HA )) 3.200 3.200 2.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.13997E-02 ppm1 0.841 ppm2 4.677 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 1.182 ppm2 3.676 CV 1 ASSI { 1722} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 154 and name HA )) 3.800 1.800 1.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.13582E-02 ppm1 2.940 ppm2 4.327 CV 1 ASSI { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB3 )) 3.900 1.900 1.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.13571E-02 ppm1 2.476 ppm2 1.742 CV 1 ASSI { 1731} (( segid " " and resid 126 and name HA )) (( segid " " and resid 155 and name HG )) 3.400 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 4.770 ppm2 1.461 CV 1 ASSI { 1732} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 0.654 ppm2 1.180 CV 1 ASSI { 1757} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.13229E-02 ppm1 1.908 ppm2 4.541 CV 1 ASSI { 1760} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HB3 )) 3.600 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.13130E-02 ppm1 3.813 ppm2 1.405 CV 1 ASSI { 1761} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HA )) 3.600 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 0.399 ppm2 4.126 CV 1 ASSI { 1767} (( segid " " and resid 140 and name HA )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 4.658 ppm2 4.273 CV 1 ASSI { 1769} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.900 1.000 1.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 1.915 ppm2 5.168 CV 1 ASSI { 1778} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG13)) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 2.971 ppm2 1.451 CV 1 ASSI { 1782} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.12851E-02 ppm1 2.854 ppm2 2.480 CV 1 ASSI { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 3.800 1.800 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 2.623 ppm2 2.150 CV 1 OR { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 1799} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 2.361 ppm2 0.682 CV 1 OR { 1799} (( segid " " and resid 154 and name HG3 )) ( segid " " and resid 152 and name HD1%) ASSI { 1804} (( segid " " and resid 146 and name HG3 )) ( segid " " and resid 128 and name HG1%) 2.400 2.400 3.600 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 2.582 ppm2 0.818 CV 1 ASSI { 1805} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HA )) 3.800 1.800 1.800 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 2.880 ppm2 4.549 CV 1 OR { 1805} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HA )) ASSI { 1817} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) 2.700 0.900 0.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 5.383 ppm2 0.857 CV 1 ASSI { 1820} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 2.900 1.000 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 2.972 ppm2 0.678 CV 1 ASSI { 1822} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 2.860 ppm2 0.757 CV 1 ASSI { 1853} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.900 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 5.861 ppm2 1.972 CV 1 ASSI { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG2 )) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.12169E-02 ppm1 4.660 ppm2 1.974 CV 1 ASSI { 1864} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 1.747 ppm2 0.716 CV 1 ASSI { 1865} (( segid " " and resid 154 and name HA )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.12139E-02 ppm1 4.328 ppm2 0.684 CV 1 ASSI { 1866} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.900 2.000 2.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.12139E-02 ppm1 2.595 ppm2 4.327 CV 1 ASSI { 1870} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 127 and name HG2%) 3.500 1.500 1.500 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 1.940 ppm2 0.777 CV 1 OR { 1870} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 127 and name HG2%) ASSI { 1874} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.200 1.200 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 2.003 ppm2 0.753 CV 1 ASSI { 1884} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 1.511 ppm2 5.008 CV 1 OR { 1884} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 103 and name HA )) ASSI { 1889} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 125 and name HD1%) 3.600 1.600 1.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 0.690 ppm2 -0.191 CV 1 ASSI { 1903} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.11775E-02 ppm1 4.661 ppm2 2.480 CV 1 ASSI { 1904} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.900 1.900 1.900 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.11774E-02 ppm1 0.737 ppm2 6.855 CV 1 ASSI { 1910} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HG )) 3.000 1.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 2.710 ppm2 1.423 CV 1 ASSI { 1913} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 0.659 ppm2 2.600 CV 1 ASSI { 1914} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HB2 )) 2.400 2.400 3.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 1.569 ppm2 1.942 CV 1 OR { 1914} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 1921} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 149 and name HB3 )) 3.100 1.200 1.200 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 1.554 ppm2 2.199 CV 1 OR { 1921} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 149 and name HB3 )) ASSI { 1926} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 119 and name HD2%) 4.300 2.300 1.700 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 1.428 ppm2 0.451 CV 1 ASSI { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD2 )) 3.700 1.700 1.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 0.689 ppm2 1.549 CV 1 OR { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD3 )) ASSI { 1949} (( segid " " and resid 129 and name HA1 )) ( segid " " and resid 155 and name HD2%) 2.800 2.800 3.200 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 3.716 ppm2 0.757 CV 1 ASSI { 1956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB3 )) 3.100 1.200 1.200 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.11396E-02 ppm1 4.688 ppm2 3.724 CV 1 ASSI { 1965} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 159 and name HA )) 4.000 2.000 2.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.11321E-02 ppm1 2.169 ppm2 4.368 CV 1 OR { 1965} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 159 and name HA )) ASSI { 1966} (( segid " " and resid 105 and name HB )) (( segid " " and resid 123 and name HB3 )) 3.700 1.700 1.700 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.11298E-02 ppm1 2.160 ppm2 2.731 CV 1 ASSI { 1971} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 141 and name HA )) 4.000 2.000 2.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 0.825 ppm2 4.341 CV 1 OR { 1971} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 141 and name HA )) ASSI { 1972} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.100 1.200 1.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.11227E-02 ppm1 2.899 ppm2 4.675 CV 1 ASSI { 1981} (( segid " " and resid 105 and name HB )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 2.172 ppm2 1.842 CV 1 ASSI { 1989} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 3.000 1.100 1.100 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 2.197 ppm2 1.676 CV 1 ASSI { 2001} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.400 2.400 3.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 1.879 ppm2 4.545 CV 1 ASSI { 2014} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 129 and name HN )) 4.600 2.600 1.400 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 1.130 ppm2 7.491 CV 1 ASSI { 2015} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 109 and name HE% ) 5.100 3.200 0.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 3.842 ppm2 6.860 CV 1 ASSI { 2021} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.10916E-02 ppm1 2.876 ppm2 5.202 CV 1 ASSI { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 2.464 ppm2 3.612 CV 1 OR { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2028} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HA )) 2.300 0.600 0.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.12236E-01 ppm1 1.129 ppm2 4.122 CV 1 ASSI { 2032} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.800 1.000 1.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 2.157 ppm2 3.740 CV 1 ASSI { 2043} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 130 and name HB2 )) 3.100 1.200 1.200 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 3.812 ppm2 1.499 CV 1 OR { 2043} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 130 and name HB2 )) ASSI { 2063} (( segid " " and resid 160 and name HB2 )) ( segid " " and resid 164 and name HD1%) 3.600 1.600 1.600 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 2.601 ppm2 0.730 CV 1 OR { 2063} (( segid " " and resid 160 and name HB3 )) ( segid " " and resid 164 and name HD1%) ASSI { 2066} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.500 2.500 3.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 0.689 ppm2 6.813 CV 1 ASSI { 2085} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 118 and name HA )) 3.400 1.400 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.10530E-02 ppm1 2.977 ppm2 4.586 CV 1 ASSI { 2088} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 155 and name HD1%) 3.700 1.800 1.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 1.964 ppm2 0.730 CV 1 ASSI { 2097} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 119 and name HD2%) 3.400 1.400 1.400 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 1.257 ppm2 0.450 CV 1 ASSI { 2116} (( segid " " and resid 130 and name HB3 )) (( segid " " and resid 94 and name HA )) 3.300 3.300 2.700 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 1.771 ppm2 4.535 CV 1 ASSI { 2122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HB2 )) 3.400 1.500 1.500 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.10321E-02 ppm1 3.612 ppm2 1.763 CV 1 OR { 2122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 2132} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.500 2.500 3.500 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.12378E-01 ppm1 1.262 ppm2 4.563 CV 1 OR { 2132} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) ASSI { 2136} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HE3 )) 3.700 1.700 1.700 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 0.693 ppm2 7.010 CV 1 ASSI { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.600 1.600 1.600 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 2.716 ppm2 0.820 CV 1 OR { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD2%) ASSI { 2182} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.400 1.500 1.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.10019E-02 ppm1 2.894 ppm2 0.752 CV 1 ASSI { 2183} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HB2 )) 3.900 3.900 2.100 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.10013E-02 ppm1 3.915 ppm2 1.601 CV 1 OR { 2183} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HB2 )) ASSI { 2190} (( segid " " and resid 125 and name HB )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.99840E-03 ppm1 1.264 ppm2 0.662 CV 1 ASSI { 2207} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 3.800 1.800 1.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.98847E-03 ppm1 0.047 ppm2 2.619 CV 1 ASSI { 2209} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 3.900 1.900 1.900 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.98734E-03 ppm1 2.582 ppm2 5.855 CV 1 ASSI { 2224} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 119 and name HD1%) 4.000 2.000 2.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.98132E-03 ppm1 3.716 ppm2 0.752 CV 1 ASSI { 2275} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 127 and name HG2%) 2.600 0.900 0.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.96362E-03 ppm1 2.876 ppm2 0.757 CV 1 ASSI { 2277} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.96315E-03 ppm1 2.652 ppm2 7.023 CV 1 ASSI { 2278} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG )) 3.500 1.500 1.500 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.96284E-03 ppm1 4.665 ppm2 1.456 CV 1 ASSI { 2289} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 147 and name HD% ) 4.100 2.100 1.900 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.96041E-03 ppm1 -0.195 ppm2 6.814 CV 1 ASSI { 2293} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HG13)) 3.300 1.400 1.400 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.95908E-03 ppm1 0.619 ppm2 1.089 CV 1 ASSI { 2303} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 139 and name HG1%) 3.700 1.700 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.95553E-03 ppm1 3.849 ppm2 0.816 CV 1 ASSI { 2308} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 103 and name HB2 )) 4.000 2.000 2.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.95514E-03 ppm1 1.138 ppm2 2.593 CV 1 ASSI { 2316} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.95330E-03 ppm1 2.585 ppm2 5.171 CV 1 ASSI { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD1%) 4.000 2.000 2.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.95205E-03 ppm1 4.328 ppm2 0.719 CV 1 ASSI { 2320} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.800 1.000 1.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.95127E-03 ppm1 4.657 ppm2 2.002 CV 1 ASSI { 2325} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.500 1.500 1.500 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.94908E-03 ppm1 2.283 ppm2 4.679 CV 1 ASSI { 2327} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 117 and name HB3 )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.94877E-03 ppm1 4.426 ppm2 1.405 CV 1 ASSI { 2386} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.93513E-03 ppm1 4.349 ppm2 4.575 CV 1 ASSI { 2421} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 152 and name HG2%) 3.100 1.200 1.200 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.92411E-03 ppm1 2.886 ppm2 0.652 CV 1 ASSI { 2430} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HA2 )) 3.600 1.600 1.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.92313E-03 ppm1 4.348 ppm2 4.102 CV 1 ASSI { 2431} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HG )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.92309E-03 ppm1 4.102 ppm2 1.432 CV 1 ASSI { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD2 )) 4.200 2.200 1.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.91989E-03 ppm1 1.912 ppm2 3.608 CV 1 OR { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2443} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.500 2.500 3.500 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.91735E-03 ppm1 0.713 ppm2 0.491 CV 1 ASSI { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB2 )) 4.300 2.400 1.700 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.91723E-03 ppm1 5.859 ppm2 1.740 CV 1 OR { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 2463} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 129 and name HN )) 2.300 2.300 3.700 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.90820E-03 ppm1 0.754 ppm2 7.493 CV 1 ASSI { 2483} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG13)) 3.000 1.100 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.90332E-03 ppm1 1.807 ppm2 1.446 CV 1 ASSI { 2487} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 2.900 1.100 1.100 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.90253E-03 ppm1 0.633 ppm2 0.036 CV 1 ASSI { 2489} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB3 )) 3.600 1.600 1.600 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.90152E-03 ppm1 0.049 ppm2 1.184 CV 1 ASSI { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB3 )) 4.400 2.400 1.600 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.89128E-03 ppm1 4.326 ppm2 1.497 CV 1 OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 2546} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 5.100 3.200 0.900 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.88487E-03 ppm1 0.657 ppm2 2.614 CV 1 ASSI { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB3 )) 3.700 1.700 1.700 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.88483E-03 ppm1 3.917 ppm2 1.300 CV 1 OR { 2547} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HB3 )) OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB2 )) ASSI { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) 3.400 1.400 1.400 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.88307E-03 ppm1 1.268 ppm2 1.986 CV 1 OR { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG3 )) OR { 2553} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2585} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.87119E-03 ppm1 2.456 ppm2 5.172 CV 1 ASSI { 2600} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.86623E-03 ppm1 2.006 ppm2 0.713 CV 1 ASSI { 2626} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HG2 )) 2.100 0.500 0.500 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.12301E-01 ppm1 1.805 ppm2 1.987 CV 1 OR { 2626} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HG3 )) ASSI { 2628} (( segid " " and resid 155 and name HG )) (( segid " " and resid 156 and name HB2 )) 4.000 2.000 2.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.85345E-03 ppm1 1.512 ppm2 3.851 CV 1 OR { 2628} (( segid " " and resid 155 and name HG )) (( segid " " and resid 156 and name HB3 )) ASSI { 2631} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HG2%) 4.000 2.000 2.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.85247E-03 ppm1 4.769 ppm2 0.752 CV 1 ASSI { 2661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HB )) 2.800 1.000 1.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.84555E-03 ppm1 3.743 ppm2 1.796 CV 1 ASSI { 2673} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HB2 )) 2.400 0.700 0.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.84344E-03 ppm1 2.004 ppm2 1.614 CV 1 ASSI { 2678} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 161 and name HA )) 3.900 1.900 1.900 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.84149E-03 ppm1 0.778 ppm2 4.200 CV 1 ASSI { 2688} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 3.700 3.700 2.300 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.83832E-03 ppm1 2.554 ppm2 2.200 CV 1 ASSI { 2697} (( segid " " and resid 117 and name HA )) ( segid " " and resid 140 and name HD2%) 4.000 2.000 2.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.83524E-03 ppm1 4.344 ppm2 0.819 CV 1 ASSI { 2713} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 147 and name HD% ) 2.000 0.500 0.500 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.12301E-01 ppm1 1.934 ppm2 6.844 CV 1 ASSI { 2738} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HE22)) 4.400 2.400 1.600 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.82203E-03 ppm1 4.371 ppm2 6.743 CV 1 ASSI { 2755} (( segid " " and resid 137 and name HA )) ( segid " " and resid 128 and name HG1%) 3.700 1.700 1.700 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.81812E-03 ppm1 5.170 ppm2 0.818 CV 1 ASSI { 2763} (( segid " " and resid 152 and name HA )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.81659E-03 ppm1 5.042 ppm2 0.762 CV 1 ASSI { 2781} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HG )) 4.700 2.800 1.300 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.81269E-03 ppm1 2.975 ppm2 1.427 CV 1 ASSI { 2786} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HG )) 4.800 2.800 1.200 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.81218E-03 ppm1 3.813 ppm2 1.474 CV 1 ASSI { 2787} (( segid " " and resid 164 and name HB )) (( segid " " and resid 162 and name HB2 )) 4.000 2.000 2.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.81191E-03 ppm1 1.774 ppm2 1.492 CV 1 ASSI { 2792} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.81097E-03 ppm1 5.013 ppm2 2.975 CV 1 ASSI { 2794} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 122 and name HA1 )) 3.400 1.400 1.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.81050E-03 ppm1 1.988 ppm2 3.401 CV 1 OR { 2794} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 122 and name HA1 )) ASSI { 2801} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HE3 )) 3.500 1.500 1.500 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.80831E-03 ppm1 4.781 ppm2 6.977 CV 1 ASSI { 2818} (( segid " " and resid 152 and name HB )) (( segid " " and resid 103 and name HB2 )) 4.800 2.900 1.200 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.80370E-03 ppm1 1.805 ppm2 2.603 CV 1 ASSI { 2829} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 144 and name HG2%) 3.500 1.600 1.600 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.79854E-03 ppm1 1.749 ppm2 1.096 CV 1 OR { 2829} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 144 and name HG2%) ASSI { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB3 )) 4.300 2.300 1.700 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.79412E-03 ppm1 2.249 ppm2 1.741 CV 1 OR { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB2 )) ASSI { 2869} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 105 and name HB )) 4.100 2.100 1.900 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.78596E-03 ppm1 2.331 ppm2 2.155 CV 1 ASSI { 2885} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.78361E-03 ppm1 2.435 ppm2 5.164 CV 1 ASSI { 2905} (( segid " " and resid 163 and name HA2 )) (( segid " " and resid 164 and name HB )) 4.200 2.200 1.800 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.78002E-03 ppm1 3.822 ppm2 1.781 CV 1 OR { 2905} (( segid " " and resid 163 and name HA1 )) (( segid " " and resid 164 and name HB )) ASSI { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE3 )) 3.700 1.700 1.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.77208E-03 ppm1 1.686 ppm2 2.801 CV 1 OR { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE2 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE3 )) ASSI { 2943} (( segid " " and resid 139 and name HB )) ( segid " " and resid 144 and name HG2%) 3.300 1.300 1.300 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.76993E-03 ppm1 1.858 ppm2 1.091 CV 1 ASSI { 2947} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.300 1.400 1.400 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.76899E-03 ppm1 1.162 ppm2 0.398 CV 1 ASSI { 2956} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 125 and name HD1%) 4.500 2.500 1.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.76571E-03 ppm1 1.133 ppm2 -0.191 CV 1 ASSI { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB3 )) 3.900 1.900 1.900 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.76470E-03 ppm1 4.530 ppm2 3.808 CV 1 OR { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 2959} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HE% ) 4.200 2.200 1.800 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.76466E-03 ppm1 4.371 ppm2 6.868 CV 1 ASSI { 2964} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.76337E-03 ppm1 0.729 ppm2 2.600 CV 1 ASSI { 2994} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG3 )) 3.200 1.300 1.300 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.75332E-03 ppm1 4.661 ppm2 2.465 CV 1 ASSI { 2995} (( segid " " and resid 147 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.75332E-03 ppm1 2.676 ppm2 0.752 CV 1 ASSI { 3004} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 144 and name HG2%) 4.300 2.300 1.700 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.75141E-03 ppm1 4.425 ppm2 1.095 CV 1 ASSI { 3007} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 3.400 1.500 1.500 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.75129E-03 ppm1 2.474 ppm2 5.855 CV 1 ASSI { 3014} (( segid " " and resid 144 and name HB )) ( segid " " and resid 139 and name HG2%) 4.000 2.000 2.000 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.75043E-03 ppm1 3.937 ppm2 0.732 CV 1 ASSI { 3018} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 152 and name HG2%) 4.100 2.100 1.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.74969E-03 ppm1 3.721 ppm2 0.652 CV 1 ASSI { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD2 )) 3.600 1.600 1.600 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.74867E-03 ppm1 1.468 ppm2 3.607 CV 1 OR { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD3 )) ASSI { 3030} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 135 and name HB2 )) 3.800 1.800 1.800 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.74730E-03 ppm1 2.254 ppm2 2.649 CV 1 ASSI { 3039} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.74574E-03 ppm1 5.083 ppm2 1.433 CV 1 ASSI { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB2 )) 3.700 1.700 1.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.74226E-03 ppm1 0.713 ppm2 3.903 CV 1 OR { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB3 )) ASSI { 3066} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 109 and name HB3 )) 4.100 2.100 1.900 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.74152E-03 ppm1 0.452 ppm2 2.869 CV 1 ASSI { 3078} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ3 )) 3.900 1.900 1.900 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.73925E-03 ppm1 0.753 ppm2 7.120 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 154 and name HG2 )) 3.500 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.73777E-03 ppm1 1.992 ppm2 2.317 CV 1 OR { 3085} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 154 and name HG2 )) ASSI { 3088} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 119 and name HA )) 4.200 2.200 1.800 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.73738E-03 ppm1 -0.191 ppm2 4.653 CV 1 ASSI { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HG2 )) 2.600 0.900 0.900 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.12400E-01 ppm1 5.343 ppm2 1.937 CV 1 OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB3 )) OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 3126} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HB3 )) 1.600 0.300 0.600 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.910 ppm2 2.080 CV 1 ASSI { 3130} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 2.200 0.600 0.600 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 2.323 ppm2 4.327 CV 1 OR { 3130} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) ASSI { 3150} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HB )) 2.100 0.500 0.500 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 0.705 ppm2 1.854 CV 1 ASSI { 3156} (( segid " " and resid 110 and name HG )) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.465 ppm2 4.664 CV 1 ASSI { 3161} (( segid " " and resid 152 and name HG13)) (( segid " " and resid 154 and name HA )) 2.300 2.300 3.700 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.451 ppm2 4.344 CV 1 ASSI { 3167} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 119 and name HD1%) 2.000 0.500 0.500 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.616 ppm2 0.751 CV 1 ASSI { 3168} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB3 )) 2.000 0.500 0.500 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 0.675 ppm2 1.408 CV 1 OR { 3168} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HB3 )) ASSI { 3169} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 105 and name HG2%) 1.700 0.300 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.617 ppm2 0.713 CV 1 ASSI { 3172} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB3 )) 2.400 2.400 3.600 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 2.004 ppm2 2.846 CV 1 ASSI { 3173} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 2.000 ppm2 2.479 CV 1 ASSI { 3175} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG1%) 1.700 0.400 0.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 2.003 ppm2 0.865 CV 1 ASSI { 3176} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD2%) 1.700 0.400 0.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 2.001 ppm2 0.449 CV 1 ASSI { 3179} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 2.000 2.000 4.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.616 ppm2 2.858 CV 1 ASSI { 3180} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.100 2.100 3.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.615 ppm2 4.653 CV 1 ASSI { 3183} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB3 )) 1.400 0.200 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.837 ppm2 2.866 CV 1 ASSI { 3184} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.400 0.700 0.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.837 ppm2 2.477 CV 1 ASSI { 3185} (( segid " " and resid 119 and name HG )) (( segid " " and resid 119 and name HB3 )) 1.900 1.900 4.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.838 ppm2 1.992 CV 1 ASSI { 3186} (( segid " " and resid 119 and name HG )) ( segid " " and resid 105 and name HG1%) 2.500 2.500 3.500 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.12239E-01 ppm1 1.837 ppm2 0.859 CV 1 ASSI { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HG )) 2.100 0.500 0.500 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 0.714 ppm2 1.494 CV 1 OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HG )) OR { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HB2 )) OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB3 )) ASSI { 3196} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HA )) 1.900 0.500 0.500 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.121 ppm2 4.817 CV 1 ASSI { 3198} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HG13)) 1.800 0.400 0.400 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.122 ppm2 1.565 CV 1 ASSI { 3201} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HA )) 2.300 0.600 0.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.563 ppm2 4.818 CV 1 ASSI { 3202} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HB )) 2.100 0.500 0.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.565 ppm2 1.767 CV 1 ASSI { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HD1%) 2.200 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.564 ppm2 0.722 CV 1 ASSI { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG2 )) 2.600 0.800 0.800 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 5.039 ppm2 1.268 CV 1 OR { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG3 )) ASSI { 3207} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 0.657 ppm2 1.438 CV 1 ASSI { 3215} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HB )) 1.900 1.900 4.100 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.277 ppm2 1.797 CV 1 ASSI { 3216} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HG13)) 1.600 0.300 0.600 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.278 ppm2 1.427 CV 1 ASSI { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) 1.900 0.400 0.400 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.278 ppm2 0.655 CV 1 ASSI { 3219} (( segid " " and resid 164 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.600 2.600 3.400 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 4.012 ppm2 1.496 CV 1 ASSI { 3223} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.300 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 2.204 ppm2 5.172 CV 1 ASSI { 3224} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 2.197 ppm2 5.342 CV 1 ASSI { 3225} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HA )) 2.600 2.600 3.400 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 1.958 ppm2 5.342 CV 1 ASSI { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE2 )) 2.300 2.300 3.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.12241E-01 ppm1 4.551 ppm2 2.800 CV 1 OR { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE3 )) ASSI { 3227} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.100 0.500 0.500 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.12244E-01 ppm1 2.324 ppm2 1.913 CV 1 OR { 3227} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3229} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 147 and name HD% ) 2.800 2.800 3.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.12301E-01 ppm1 2.868 ppm2 6.844 CV 1 ASSI { 3233} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG12)) 2.100 2.100 3.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.12301E-01 ppm1 2.973 ppm2 1.286 CV 1 ASSI { 3234} (( segid " " and resid 149 and name HA )) ( segid " " and resid 147 and name HD% ) 2.100 2.100 3.900 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.12301E-01 ppm1 2.971 ppm2 6.839 CV 1 ASSI { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD1%) 2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.81312E-02 ppm1 7.381 ppm2 0.721 CV 1 ASSI { 13} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 151 and name HE% ) 2.100 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.79627E-02 ppm1 7.029 ppm2 7.285 CV 1 ASSI { 18} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 136 and name HZ3 )) 2.700 2.700 3.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.18264E-01 ppm1 7.231 ppm2 7.165 CV 1 ASSI { 32} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 107 and name HD% ) 2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.77501E-02 ppm1 7.135 ppm2 6.934 CV 1 ASSI { 45} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HZ3 )) 2.900 2.900 3.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.40113E-02 ppm1 7.395 ppm2 7.144 CV 1 ASSI { 92} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HD1 )) 3.200 3.200 2.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18590E-02 ppm1 6.480 ppm2 7.019 CV 1 ASSI { 99} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB3 )) 2.200 2.200 3.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.80819E-02 ppm1 7.086 ppm2 2.906 CV 1 ASSI { 101} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB2 )) 3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 7.281 ppm2 2.911 CV 1 ASSI { 109} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 7.030 ppm2 2.909 CV 1 ASSI { 111} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 109 and name HE% ) 3.600 1.600 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 7.240 ppm2 6.882 CV 1 ASSI { 135} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.100 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11575E-02 ppm1 7.065 ppm2 2.505 CV 1 ASSI { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 119 and name HD1%) 2.400 2.400 3.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10970E-02 ppm1 7.030 ppm2 0.756 CV 1 ASSI { 147} (( segid " " and resid 136 and name HE3 )) (( segid " " and resid 136 and name HZ3 )) 2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 6.957 ppm2 7.126 CV 1 ASSI { 151} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10303E-02 ppm1 7.028 ppm2 4.703 CV 1 ASSI { 152} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB3 )) 3.300 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 6.939 ppm2 2.922 CV 1 ASSI { 155} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HA )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 6.936 ppm2 4.571 CV 1 ASSI { 156} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 103 and name HB2 )) 2.400 2.400 3.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.81312E-02 ppm1 7.136 ppm2 2.646 CV 1 ASSI { 166} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HE3 )) 3.300 3.300 2.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.90785E-03 ppm1 7.395 ppm2 6.995 CV 1 ASSI { 178} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 147 and name HB2 )) 3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.85841E-03 ppm1 6.841 ppm2 2.662 CV 1 ASSI { 186} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HA )) 2.500 2.500 3.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.82156E-03 ppm1 7.285 ppm2 4.694 CV 1 ASSI { 188} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 151 and name HA )) 2.500 2.500 3.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.81609E-03 ppm1 7.137 ppm2 4.700 CV 1 ASSI { 197} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.300 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.78224E-03 ppm1 7.064 ppm2 0.772 CV 1 ASSI { 216} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 107 and name HB2 )) 2.600 2.600 3.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.72284E-03 ppm1 7.272 ppm2 2.263 CV 1 ASSI { 230} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB3 )) 2.600 2.600 3.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.67563E-03 ppm1 7.281 ppm2 3.738 CV 1 ASSI { 239} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB3 )) 3.400 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.66504E-03 ppm1 7.029 ppm2 3.753 CV 1 ASSI { 258} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.300 2.300 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.62846E-03 ppm1 7.130 ppm2 2.297 CV 1 ASSI { 266} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.61502E-03 ppm1 7.028 ppm2 2.310 CV 1 ASSI { 290} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 132 and name HB2 )) 4.000 2.000 2.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.58746E-03 ppm1 7.058 ppm2 2.036 CV 1 ASSI { 308} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 4.400 2.400 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.57269E-03 ppm1 8.161 ppm2 8.059 CV 1 ASSI { 315} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.900 1.900 1.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.55944E-03 ppm1 7.030 ppm2 2.509 CV 1 ASSI { 318} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB3 )) 3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.55409E-03 ppm1 7.057 ppm2 2.853 CV 1 ASSI { 357} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB2 )) 4.200 2.200 1.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.52032E-03 ppm1 7.082 ppm2 1.520 CV 1 ASSI { 371} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 147 and name HB2 )) 4.300 2.300 1.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.51434E-03 ppm1 7.137 ppm2 2.648 CV 1 ASSI { 376} (( segid " " and resid 136 and name HZ3 )) ( segid " " and resid 152 and name HD1%) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.81312E-02 ppm1 7.143 ppm2 0.714 CV 1 ASSI { 414} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 150 and name HB3 )) 3.200 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.48550E-03 ppm1 7.027 ppm2 2.648 CV 1 ASSI { 421} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.500 2.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.48148E-03 ppm1 7.105 ppm2 2.900 CV 1 ASSI { 436} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 152 and name HG12)) 3.600 1.600 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.47120E-03 ppm1 6.841 ppm2 1.272 CV 1 ASSI { 440} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 134 and name HA2 )) 2.200 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 7.052 ppm2 3.957 CV 1 ASSI { 442} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.300 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 6.937 ppm2 2.301 CV 1 ASSI { 445} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HA )) 1.700 1.700 4.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 7.137 ppm2 4.569 CV 1 ASSI { 448} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 7.137 ppm2 0.864 CV 1 ASSI { 449} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 147 and name HE% ) 2.000 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 6.845 ppm2 7.241 CV 1 ASSI { 450} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 119 and name HD2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 6.843 ppm2 0.457 CV 1 ASSI { 452} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.500 2.500 3.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.79901E-02 ppm1 6.896 ppm2 2.004 CV 1 ASSI { 2} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 9.739 ppm2 0.730 CV 1 ASSI { 5} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB2 )) 2.100 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.72822E-02 ppm1 7.341 ppm2 2.560 CV 1 ASSI { 6} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.72822E-02 ppm1 6.600 ppm2 2.560 CV 1 ASSI { 7} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.73453E-02 ppm1 8.546 ppm2 2.618 CV 1 ASSI { 8} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG1%) 2.000 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.73485E-02 ppm1 9.154 ppm2 0.836 CV 1 ASSI { 15} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.72822E-02 ppm1 6.601 ppm2 4.514 CV 1 ASSI { 16} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.72822E-02 ppm1 9.026 ppm2 2.334 CV 1 ASSI { 17} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.72822E-02 ppm1 7.577 ppm2 2.208 CV 1 ASSI { 46} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HE22)) 1.400 0.200 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.56770E-01 ppm1 7.578 ppm2 6.770 CV 1 ASSI { 47} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HD21)) 1.500 0.300 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.54824E-01 ppm1 7.079 ppm2 7.696 CV 1 ASSI { 71} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HD22)) 1.800 0.400 0.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.28726E-01 ppm1 7.342 ppm2 6.596 CV 1 ASSI { 80} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HD22)) 1.800 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25105E-01 ppm1 7.443 ppm2 6.586 CV 1 ASSI { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA1 )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16225E-01 ppm1 8.239 ppm2 3.822 CV 1 OR { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA2 )) ASSI { 110} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15645E-01 ppm1 8.440 ppm2 4.616 CV 1 ASSI { 114} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.15134E-01 ppm1 8.255 ppm2 4.561 CV 1 ASSI { 115} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.400 2.400 3.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15004E-01 ppm1 8.060 ppm2 4.567 CV 1 ASSI { 117} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.900 0.400 0.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14885E-01 ppm1 7.499 ppm2 4.662 CV 1 ASSI { 118} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.500 2.500 3.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14396E-01 ppm1 8.347 ppm2 4.243 CV 1 ASSI { 120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14229E-01 ppm1 8.310 ppm2 4.414 CV 1 ASSI { 125} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13667E-01 ppm1 9.875 ppm2 7.039 CV 1 ASSI { 127} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.13521E-01 ppm1 8.282 ppm2 4.255 CV 1 ASSI { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.13129E-01 ppm1 7.855 ppm2 3.833 CV 1 OR { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 131} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.300 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.12700E-01 ppm1 8.485 ppm2 4.406 CV 1 ASSI { 138} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11757E-01 ppm1 8.159 ppm2 4.173 CV 1 ASSI { 140} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11517E-01 ppm1 7.855 ppm2 1.781 CV 1 ASSI { 141} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.11401E-01 ppm1 8.692 ppm2 4.463 CV 1 ASSI { 143} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.11196E-01 ppm1 8.785 ppm2 4.063 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11188E-01 ppm1 8.912 ppm2 4.567 CV 1 ASSI { 145} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11099E-01 ppm1 8.921 ppm2 4.584 CV 1 ASSI { 146} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.11045E-01 ppm1 8.060 ppm2 0.794 CV 1 ASSI { 147} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10752E-01 ppm1 7.876 ppm2 4.362 CV 1 ASSI { 149} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10632E-01 ppm1 8.326 ppm2 4.565 CV 1 ASSI { 150} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.300 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10576E-01 ppm1 8.060 ppm2 1.720 CV 1 ASSI { 152} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.100 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10514E-01 ppm1 7.977 ppm2 4.293 CV 1 ASSI { 155} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.99178E-02 ppm1 8.239 ppm2 4.228 CV 1 ASSI { 156} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.96056E-02 ppm1 10.056 ppm2 7.078 CV 1 ASSI { 159} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.93928E-02 ppm1 8.158 ppm2 1.609 CV 1 ASSI { 160} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.92788E-02 ppm1 8.979 ppm2 5.457 CV 1 ASSI { 161} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.92535E-02 ppm1 8.306 ppm2 4.396 CV 1 ASSI { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA2 )) 2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.92005E-02 ppm1 8.315 ppm2 3.961 CV 1 OR { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA1 )) ASSI { 163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.91849E-02 ppm1 9.127 ppm2 5.046 CV 1 ASSI { 165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.89910E-02 ppm1 8.575 ppm2 4.689 CV 1 ASSI { 166} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.100 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.89729E-02 ppm1 9.062 ppm2 4.672 CV 1 ASSI { 169} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.88513E-02 ppm1 9.739 ppm2 4.685 CV 1 ASSI { 170} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 1.900 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.87654E-02 ppm1 9.005 ppm2 4.784 CV 1 ASSI { 171} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.85703E-02 ppm1 8.198 ppm2 1.885 CV 1 ASSI { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA2 )) 2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.84929E-02 ppm1 8.541 ppm2 3.948 CV 1 OR { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA1 )) ASSI { 175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.83712E-02 ppm1 8.347 ppm2 1.635 CV 1 ASSI { 178} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.100 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.82163E-02 ppm1 8.677 ppm2 4.835 CV 1 ASSI { 179} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.80634E-02 ppm1 7.830 ppm2 1.726 CV 1 ASSI { 180} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.79072E-02 ppm1 8.343 ppm2 3.742 CV 1 ASSI { 182} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.77005E-02 ppm1 9.739 ppm2 4.356 CV 1 ASSI { 183} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HN )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.74902E-02 ppm1 7.855 ppm2 8.215 CV 1 ASSI { 184} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.74805E-02 ppm1 8.534 ppm2 4.448 CV 1 ASSI { 185} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.74560E-02 ppm1 8.545 ppm2 4.346 CV 1 ASSI { 187} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.72867E-02 ppm1 8.541 ppm2 4.289 CV 1 ASSI { 188} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HG2%) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.72686E-02 ppm1 7.475 ppm2 0.782 CV 1 ASSI { 189} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.71393E-02 ppm1 8.473 ppm2 3.491 CV 1 ASSI { 190} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.70438E-02 ppm1 7.876 ppm2 1.934 CV 1 ASSI { 191} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.70434E-02 ppm1 8.473 ppm2 4.789 CV 1 ASSI { 192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.70213E-02 ppm1 8.476 ppm2 7.405 CV 1 ASSI { 193} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.70189E-02 ppm1 9.121 ppm2 5.874 CV 1 ASSI { 195} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.69471E-02 ppm1 8.599 ppm2 4.097 CV 1 ASSI { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.69138E-02 ppm1 7.500 ppm2 1.326 CV 1 OR { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 198} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.68772E-02 ppm1 7.855 ppm2 4.028 CV 1 ASSI { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.68616E-02 ppm1 7.977 ppm2 1.947 CV 1 OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG2 )) ASSI { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.68262E-02 ppm1 8.545 ppm2 1.513 CV 1 OR { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 202} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.67496E-02 ppm1 8.971 ppm2 5.365 CV 1 ASSI { 203} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.67464E-02 ppm1 7.525 ppm2 3.696 CV 1 ASSI { 204} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.200 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.67054E-02 ppm1 9.533 ppm2 5.187 CV 1 ASSI { 205} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.500 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.66833E-02 ppm1 8.345 ppm2 4.022 CV 1 ASSI { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.65770E-02 ppm1 8.306 ppm2 2.614 CV 1 OR { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB3 )) ASSI { 211} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.65216E-02 ppm1 9.110 ppm2 5.390 CV 1 ASSI { 212} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.64192E-02 ppm1 8.476 ppm2 4.724 CV 1 ASSI { 215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.62807E-02 ppm1 8.141 ppm2 2.166 CV 1 ASSI { 216} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.300 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.62771E-02 ppm1 8.974 ppm2 5.017 CV 1 ASSI { 217} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.62659E-02 ppm1 8.141 ppm2 4.408 CV 1 ASSI { 218} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.62591E-02 ppm1 8.141 ppm2 2.752 CV 1 ASSI { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.61944E-02 ppm1 8.254 ppm2 3.931 CV 1 OR { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 225} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.58745E-02 ppm1 7.392 ppm2 9.029 CV 1 ASSI { 227} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.58023E-02 ppm1 7.854 ppm2 0.778 CV 1 ASSI { 229} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.57308E-02 ppm1 9.126 ppm2 0.724 CV 1 ASSI { 231} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.57292E-02 ppm1 8.759 ppm2 5.215 CV 1 ASSI { 234} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG12)) 3.000 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.56297E-02 ppm1 7.855 ppm2 1.072 CV 1 ASSI { 235} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.56220E-02 ppm1 8.912 ppm2 4.065 CV 1 ASSI { 236} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.56108E-02 ppm1 8.576 ppm2 2.670 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.55658E-02 ppm1 8.473 ppm2 4.115 CV 1 ASSI { 239} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.55494E-02 ppm1 8.306 ppm2 4.563 CV 1 ASSI { 240} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.000 0.500 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.55201E-02 ppm1 9.072 ppm2 5.046 CV 1 ASSI { 242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.54840E-02 ppm1 8.350 ppm2 4.295 CV 1 ASSI { 243} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.54727E-02 ppm1 9.027 ppm2 4.385 CV 1 ASSI { 247} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.54229E-02 ppm1 7.703 ppm2 2.726 CV 1 ASSI { 248} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.500 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.54217E-02 ppm1 8.912 ppm2 2.234 CV 1 ASSI { 249} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 2.900 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.53812E-02 ppm1 7.374 ppm2 9.072 CV 1 ASSI { 250} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.53724E-02 ppm1 8.363 ppm2 4.515 CV 1 ASSI { 251} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.53555E-02 ppm1 8.922 ppm2 1.932 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.53378E-02 ppm1 8.440 ppm2 3.966 CV 1 ASSI { 255} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB3 )) 2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.52909E-02 ppm1 7.829 ppm2 1.854 CV 1 ASSI { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.52728E-02 ppm1 8.309 ppm2 3.817 CV 1 OR { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 257} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.52303E-02 ppm1 9.074 ppm2 3.755 CV 1 ASSI { 260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.52098E-02 ppm1 8.326 ppm2 4.173 CV 1 ASSI { 261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.51986E-02 ppm1 8.428 ppm2 5.175 CV 1 ASSI { 263} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HZ2 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.51528E-02 ppm1 9.875 ppm2 7.285 CV 1 ASSI { 264} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.51476E-02 ppm1 9.072 ppm2 1.817 CV 1 ASSI { 265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.51107E-02 ppm1 8.861 ppm2 4.565 CV 1 ASSI { 271} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.49794E-02 ppm1 9.154 ppm2 4.148 CV 1 ASSI { 272} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.49706E-02 ppm1 7.391 ppm2 1.997 CV 1 ASSI { 273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.48991E-02 ppm1 8.474 ppm2 4.358 CV 1 ASSI { 274} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG2%) 3.300 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.48943E-02 ppm1 9.154 ppm2 0.775 CV 1 ASSI { 275} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.48722E-02 ppm1 10.056 ppm2 7.392 CV 1 ASSI { 277} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG13)) 2.700 2.700 3.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.48421E-02 ppm1 7.854 ppm2 1.348 CV 1 ASSI { 278} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.48409E-02 ppm1 8.476 ppm2 2.719 CV 1 ASSI { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.48273E-02 ppm1 8.454 ppm2 3.852 CV 1 OR { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 281} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.48056E-02 ppm1 7.830 ppm2 4.617 CV 1 ASSI { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.47402E-02 ppm1 7.830 ppm2 8.464 CV 1 ASSI { 284} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.46591E-02 ppm1 9.074 ppm2 0.858 CV 1 ASSI { 285} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.46583E-02 ppm1 7.402 ppm2 2.469 CV 1 ASSI { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) 2.900 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.46478E-02 ppm1 8.454 ppm2 1.514 CV 1 OR { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 287} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 2.600 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.46221E-02 ppm1 8.324 ppm2 8.166 CV 1 ASSI { 290} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.45471E-02 ppm1 7.392 ppm2 2.211 CV 1 ASSI { 291} (( segid " " and resid 145 and name HN )) ( segid " " and resid 127 and name HG1%) 3.200 3.200 2.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.44909E-02 ppm1 8.979 ppm2 1.117 CV 1 ASSI { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.44507E-02 ppm1 8.922 ppm2 1.873 CV 1 ASSI { 295} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.44431E-02 ppm1 8.785 ppm2 3.546 CV 1 ASSI { 296} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.44154E-02 ppm1 7.402 ppm2 2.202 CV 1 ASSI { 299} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HD1%) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.43183E-02 ppm1 7.125 ppm2 0.686 CV 1 ASSI { 300} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.43171E-02 ppm1 8.141 ppm2 2.340 CV 1 ASSI { 301} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB2 )) 3.500 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.43058E-02 ppm1 7.079 ppm2 2.727 CV 1 ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.42521E-02 ppm1 8.141 ppm2 8.446 CV 1 ASSI { 304} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.42224E-02 ppm1 8.923 ppm2 0.828 CV 1 ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.42171E-02 ppm1 7.392 ppm2 4.685 CV 1 ASSI { 307} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.500 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.41754E-02 ppm1 7.545 ppm2 7.124 CV 1 ASSI { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.300 1.400 1.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.41433E-02 ppm1 8.921 ppm2 1.705 CV 1 OR { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 311} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.41332E-02 ppm1 8.921 ppm2 2.368 CV 1 ASSI { 312} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.41296E-02 ppm1 7.374 ppm2 0.844 CV 1 ASSI { 313} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.300 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.41212E-02 ppm1 7.975 ppm2 0.419 CV 1 ASSI { 314} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.41144E-02 ppm1 8.362 ppm2 8.780 CV 1 ASSI { 315} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.41116E-02 ppm1 8.343 ppm2 4.408 CV 1 ASSI { 316} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.40855E-02 ppm1 9.110 ppm2 0.880 CV 1 ASSI { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) 3.000 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.40658E-02 ppm1 8.351 ppm2 0.842 CV 1 OR { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG1%) ASSI { 320} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA1 )) 3.000 1.100 1.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.40139E-02 ppm1 8.923 ppm2 3.860 CV 1 ASSI { 321} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.600 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 9.110 ppm2 2.163 CV 1 ASSI { 325} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 3.000 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.39572E-02 ppm1 8.921 ppm2 2.104 CV 1 ASSI { 327} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HG1%) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.39282E-02 ppm1 9.004 ppm2 1.143 CV 1 ASSI { 328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.39217E-02 ppm1 8.243 ppm2 1.675 CV 1 ASSI { 329} (( segid " " and resid 160 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.300 3.300 2.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.39202E-02 ppm1 8.279 ppm2 1.526 CV 1 ASSI { 330} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.38985E-02 ppm1 8.923 ppm2 5.239 CV 1 ASSI { 331} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.38895E-02 ppm1 8.678 ppm2 0.771 CV 1 ASSI { 332} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 3.100 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.38487E-02 ppm1 9.071 ppm2 0.688 CV 1 ASSI { 333} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.38246E-02 ppm1 7.876 ppm2 1.786 CV 1 ASSI { 336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.37678E-02 ppm1 8.974 ppm2 1.817 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.37320E-02 ppm1 7.545 ppm2 2.914 CV 1 ASSI { 340} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.37260E-02 ppm1 8.811 ppm2 4.435 CV 1 ASSI { 342} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.36813E-02 ppm1 8.442 ppm2 3.428 CV 1 ASSI { 343} (( segid " " and resid 143 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.36703E-02 ppm1 7.830 ppm2 0.727 CV 1 ASSI { 344} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.36700E-02 ppm1 8.242 ppm2 4.286 CV 1 ASSI { 347} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA1 )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.812 ppm2 3.835 CV 1 ASSI { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.36331E-02 ppm1 8.759 ppm2 1.749 CV 1 OR { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 349} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.36249E-02 ppm1 8.575 ppm2 4.509 CV 1 ASSI { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.800 1.800 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.35914E-02 ppm1 8.198 ppm2 2.180 CV 1 OR { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 351} (( segid " " and resid 123 and name HN )) ( segid " " and resid 105 and name HG1%) 2.100 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.35846E-02 ppm1 8.141 ppm2 0.861 CV 1 ASSI { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.35329E-02 ppm1 9.739 ppm2 0.844 CV 1 OR { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) ASSI { 362} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.34209E-02 ppm1 8.254 ppm2 4.099 CV 1 ASSI { 365} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.34040E-02 ppm1 8.921 ppm2 4.347 CV 1 ASSI { 369} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.600 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.33223E-02 ppm1 8.363 ppm2 2.560 CV 1 ASSI { 370} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.33090E-02 ppm1 8.473 ppm2 0.731 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33041E-02 ppm1 7.475 ppm2 4.179 CV 1 ASSI { 373} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.32718E-02 ppm1 8.362 ppm2 2.667 CV 1 ASSI { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB3 )) 3.700 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.32620E-02 ppm1 8.329 ppm2 2.617 CV 1 OR { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 376} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.32037E-02 ppm1 8.350 ppm2 1.900 CV 1 ASSI { 378} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.31781E-02 ppm1 9.062 ppm2 1.771 CV 1 ASSI { 383} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31152E-02 ppm1 8.442 ppm2 4.445 CV 1 ASSI { 384} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 1.700 0.300 0.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.31053E-02 ppm1 9.154 ppm2 7.470 CV 1 ASSI { 386} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 2.500 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.31000E-02 ppm1 8.309 ppm2 2.050 CV 1 ASSI { 387} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.30621E-02 ppm1 8.677 ppm2 1.281 CV 1 ASSI { 390} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HA )) 3.600 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.29942E-02 ppm1 8.350 ppm2 5.220 CV 1 ASSI { 391} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB3 )) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.29868E-02 ppm1 7.703 ppm2 2.992 CV 1 ASSI { 392} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HN )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.29789E-02 ppm1 7.830 ppm2 9.124 CV 1 ASSI { 393} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.29634E-02 ppm1 9.074 ppm2 0.722 CV 1 ASSI { 394} (( segid " " and resid 139 and name HN )) ( segid " " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.29543E-02 ppm1 8.923 ppm2 0.419 CV 1 ASSI { 395} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG2 )) 3.500 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 7.578 ppm2 2.337 CV 1 ASSI { 396} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.29487E-02 ppm1 8.244 ppm2 4.567 CV 1 ASSI { 398} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB3 )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29255E-02 ppm1 9.127 ppm2 1.763 CV 1 ASSI { 401} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.000 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.29066E-02 ppm1 8.238 ppm2 1.510 CV 1 ASSI { 406} (( segid " " and resid 104 and name HN )) ( segid " " and resid 155 and name HD2%) 4.300 2.300 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.28329E-02 ppm1 8.974 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 104 and name HN )) ( segid " " and resid 155 and name HD1%) ASSI { 407} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 2.900 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.28309E-02 ppm1 8.362 ppm2 7.049 CV 1 ASSI { 408} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB3 )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.28050E-02 ppm1 7.443 ppm2 2.823 CV 1 ASSI { 409} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.700 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.28036E-02 ppm1 7.475 ppm2 4.023 CV 1 ASSI { 411} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB3 )) 3.600 1.600 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.27917E-02 ppm1 7.341 ppm2 2.642 CV 1 ASSI { 412} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.27675E-02 ppm1 8.979 ppm2 4.436 CV 1 ASSI { 414} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.27562E-02 ppm1 8.758 ppm2 2.893 CV 1 ASSI { 415} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.700 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.27295E-02 ppm1 8.311 ppm2 2.346 CV 1 ASSI { 417} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.27004E-02 ppm1 9.075 ppm2 5.047 CV 1 ASSI { 422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26422E-02 ppm1 8.979 ppm2 3.834 CV 1 ASSI { 424} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26324E-02 ppm1 8.812 ppm2 1.973 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) 2.900 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26138E-02 ppm1 8.453 ppm2 0.745 CV 1 ASSI { 431} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25766E-02 ppm1 7.544 ppm2 3.740 CV 1 ASSI { 432} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.300 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25749E-02 ppm1 7.475 ppm2 3.743 CV 1 ASSI { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.25669E-02 ppm1 8.599 ppm2 3.932 CV 1 OR { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) ASSI { 435} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) 3.600 1.600 1.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25423E-02 ppm1 9.072 ppm2 1.282 CV 1 ASSI { 437} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25087E-02 ppm1 8.243 ppm2 1.815 CV 1 ASSI { 438} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 7.876 ppm2 1.276 CV 1 ASSI { 440} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB3 )) 4.000 2.000 2.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.24923E-02 ppm1 8.785 ppm2 2.009 CV 1 ASSI { 441} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.24784E-02 ppm1 9.533 ppm2 3.859 CV 1 ASSI { 445} (( segid " " and resid 145 and name HN )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 8.979 ppm2 9.534 CV 1 ASSI { 446} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.24543E-02 ppm1 7.544 ppm2 8.360 CV 1 ASSI { 451} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.300 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 8.428 ppm2 2.470 CV 1 ASSI { 453} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.800 1.800 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23802E-02 ppm1 7.374 ppm2 2.916 CV 1 ASSI { 457} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.23464E-02 ppm1 8.599 ppm2 4.670 CV 1 ASSI { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.300 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23419E-02 ppm1 7.500 ppm2 0.789 CV 1 OR { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) ASSI { 459} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.23418E-02 ppm1 7.500 ppm2 1.462 CV 1 ASSI { 460} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.400 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 8.973 ppm2 2.972 CV 1 ASSI { 462} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.23142E-02 ppm1 9.153 ppm2 1.923 CV 1 ASSI { 463} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB3 )) 4.200 2.200 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.22905E-02 ppm1 7.079 ppm2 2.992 CV 1 ASSI { 464} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HB3 )) 3.800 1.800 1.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.22883E-02 ppm1 10.056 ppm2 1.720 CV 1 ASSI { 465} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HE% ) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22811E-02 ppm1 9.533 ppm2 6.855 CV 1 ASSI { 469} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 7.374 ppm2 4.561 CV 1 ASSI { 471} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.22599E-02 ppm1 8.238 ppm2 1.607 CV 1 ASSI { 472} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD% ) 2.900 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 9.121 ppm2 6.830 CV 1 ASSI { 473} (( segid " " and resid 141 and name HD21)) ( segid " " and resid 105 and name HG1%) 2.300 2.300 3.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.22582E-02 ppm1 7.702 ppm2 0.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD1%) 3.800 1.800 1.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.22447E-02 ppm1 8.159 ppm2 0.774 CV 1 OR { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD2%) ASSI { 477} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB2 )) 2.900 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 7.442 ppm2 2.693 CV 1 ASSI { 478} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.300 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.22204E-02 ppm1 9.121 ppm2 2.049 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22166E-02 ppm1 8.243 ppm2 1.537 CV 1 OR { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) ASSI { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.400 1.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22122E-02 ppm1 8.306 ppm2 3.822 CV 1 OR { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 481} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.500 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.22084E-02 ppm1 8.472 ppm2 2.892 CV 1 ASSI { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22033E-02 ppm1 8.244 ppm2 2.181 CV 1 OR { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 483} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 3.300 1.400 1.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.21905E-02 ppm1 7.402 ppm2 4.728 CV 1 ASSI { 485} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.21759E-02 ppm1 9.027 ppm2 4.218 CV 1 ASSI { 486} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.21694E-02 ppm1 8.472 ppm2 1.951 CV 1 ASSI { 487} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 4.200 2.300 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.21692E-02 ppm1 8.441 ppm2 1.722 CV 1 ASSI { 490} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21549E-02 ppm1 8.602 ppm2 2.015 CV 1 ASSI { 493} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.600 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21440E-02 ppm1 8.141 ppm2 3.426 CV 1 ASSI { 494} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.21426E-02 ppm1 8.141 ppm2 9.095 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.21274E-02 ppm1 7.392 ppm2 4.205 CV 1 ASSI { 498} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG12)) 3.700 1.800 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21195E-02 ppm1 7.125 ppm2 1.290 CV 1 ASSI { 500} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 7.526 ppm2 8.358 CV 1 ASSI { 501} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 7.978 ppm2 4.786 CV 1 ASSI { 502} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 8.973 ppm2 2.619 CV 1 ASSI { 503} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.500 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.20937E-02 ppm1 7.829 ppm2 3.494 CV 1 ASSI { 504} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.20859E-02 ppm1 8.545 ppm2 5.017 CV 1 ASSI { 505} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.20734E-02 ppm1 7.879 ppm2 4.564 CV 1 ASSI { 506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG12)) 3.700 1.700 1.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 8.678 ppm2 1.109 CV 1 ASSI { 507} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20694E-02 ppm1 8.362 ppm2 2.838 CV 1 ASSI { 508} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.20665E-02 ppm1 8.427 ppm2 4.380 CV 1 ASSI { 509} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20590E-02 ppm1 9.128 ppm2 4.673 CV 1 ASSI { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD2%) 3.200 1.300 1.300 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20299E-02 ppm1 8.544 ppm2 0.740 CV 1 OR { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD1%) ASSI { 518} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20210E-02 ppm1 9.062 ppm2 0.745 CV 1 ASSI { 519} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 7.398 ppm2 5.176 CV 1 ASSI { 520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20017E-02 ppm1 7.830 ppm2 4.112 CV 1 ASSI { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.600 2.600 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.19948E-02 ppm1 8.974 ppm2 1.512 CV 1 OR { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 523} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HD1%) 4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19804E-02 ppm1 7.545 ppm2 0.688 CV 1 ASSI { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB3 )) 4.500 2.500 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 7.474 ppm2 1.763 CV 1 OR { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 525} (( segid " " and resid 139 and name HN )) (( segid " " and resid 126 and name HN )) 3.100 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.19759E-02 ppm1 8.923 ppm2 7.969 CV 1 ASSI { 529} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HG2%) 5.100 3.200 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.19531E-02 ppm1 9.004 ppm2 0.779 CV 1 ASSI { 530} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HG2%) 4.100 2.200 1.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19256E-02 ppm1 9.532 ppm2 0.723 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19212E-02 ppm1 9.026 ppm2 2.503 CV 1 ASSI { 533} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19156E-02 ppm1 9.127 ppm2 1.172 CV 1 ASSI { 534} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 8.350 ppm2 1.723 CV 1 ASSI { 536} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.19028E-02 ppm1 8.442 ppm2 5.463 CV 1 ASSI { 537} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 9.072 ppm2 4.583 CV 1 ASSI { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB2 )) 3.500 1.500 1.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 8.971 ppm2 1.514 CV 1 OR { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 542} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 7.374 ppm2 2.290 CV 1 ASSI { 543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 8.349 ppm2 3.986 CV 1 ASSI { 544} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 8.435 ppm2 1.441 CV 1 ASSI { 547} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.500 1.500 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.18656E-02 ppm1 8.158 ppm2 2.002 CV 1 ASSI { 549} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 4.000 2.000 2.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18602E-02 ppm1 8.239 ppm2 0.778 CV 1 ASSI { 550} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 140 and name HG )) 4.500 2.600 1.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18526E-02 ppm1 7.079 ppm2 1.445 CV 1 ASSI { 551} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18473E-02 ppm1 8.602 ppm2 2.491 CV 1 ASSI { 552} (( segid " " and resid 137 and name HN )) (( segid " " and resid 129 and name HN )) 3.600 1.600 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.759 ppm2 7.466 CV 1 ASSI { 553} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.300 2.300 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.18391E-02 ppm1 8.310 ppm2 1.882 CV 1 ASSI { 555} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG3 )) 2.900 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 7.578 ppm2 2.521 CV 1 ASSI { 556} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.200 3.200 2.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 8.060 ppm2 3.928 CV 1 ASSI { 557} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.18177E-02 ppm1 8.544 ppm2 2.103 CV 1 ASSI { 558} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HG )) 3.300 1.400 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18120E-02 ppm1 7.703 ppm2 1.445 CV 1 ASSI { 560} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 8.676 ppm2 4.295 CV 1 ASSI { 562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17758E-02 ppm1 8.311 ppm2 2.754 CV 1 ASSI { 563} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.17738E-02 ppm1 8.599 ppm2 0.759 CV 1 ASSI { 565} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17615E-02 ppm1 8.921 ppm2 0.694 CV 1 ASSI { 566} (( segid " " and resid 149 and name HN )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 7.525 ppm2 4.782 CV 1 ASSI { 570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HA )) 3.400 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17380E-02 ppm1 8.677 ppm2 5.385 CV 1 ASSI { 573} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 9.739 ppm2 8.469 CV 1 ASSI { 578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA2 )) 3.700 1.700 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17154E-02 ppm1 9.153 ppm2 5.238 CV 1 ASSI { 579} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 8.426 ppm2 1.279 CV 1 ASSI { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.700 1.700 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17117E-02 ppm1 8.360 ppm2 2.193 CV 1 OR { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG3 )) ASSI { 581} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 9.005 ppm2 4.145 CV 1 ASSI { 584} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.16915E-02 ppm1 8.922 ppm2 5.048 CV 1 ASSI { 586} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB3 )) 4.500 2.600 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 6.587 ppm2 2.823 CV 1 ASSI { 587} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.16751E-02 ppm1 9.121 ppm2 5.184 CV 1 ASSI { 589} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.16707E-02 ppm1 8.691 ppm2 5.354 CV 1 ASSI { 590} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA2 )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 8.362 ppm2 3.952 CV 1 ASSI { 591} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.16598E-02 ppm1 9.074 ppm2 4.194 CV 1 ASSI { 592} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.500 1.500 1.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 7.526 ppm2 1.595 CV 1 ASSI { 595} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16455E-02 ppm1 9.128 ppm2 5.457 CV 1 ASSI { 596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16448E-02 ppm1 7.545 ppm2 4.705 CV 1 ASSI { 598} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 8.968 ppm2 5.017 CV 1 ASSI { 599} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD2%) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16347E-02 ppm1 9.061 ppm2 0.466 CV 1 ASSI { 602} (( segid " " and resid 127 and name HN )) (( segid " " and resid 102 and name HA )) 3.500 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 9.005 ppm2 5.354 CV 1 ASSI { 603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16061E-02 ppm1 8.255 ppm2 2.288 CV 1 ASSI { 604} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.000 1.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 8.974 ppm2 5.388 CV 1 ASSI { 605} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HA )) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 8.968 ppm2 4.795 CV 1 ASSI { 607} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HN )) 3.200 1.300 1.300 peak 607 spectrum 1 weight 0.10000E+01 volume 0.15916E-02 ppm1 9.118 ppm2 8.463 CV 1 ASSI { 608} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG2%) 3.600 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 7.526 ppm2 0.676 CV 1 ASSI { 612} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15810E-02 ppm1 8.677 ppm2 8.974 CV 1 ASSI { 613} (( segid " " and resid 145 and name HN )) (( segid " " and resid 139 and name HA )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15789E-02 ppm1 8.978 ppm2 5.043 CV 1 ASSI { 614} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HD1%) 4.300 2.300 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 8.363 ppm2 0.682 CV 1 ASSI { 615} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.400 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 8.542 ppm2 8.230 CV 1 ASSI { 618} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG2 )) 4.200 2.200 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15565E-02 ppm1 6.777 ppm2 2.328 CV 1 ASSI { 620} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15382E-02 ppm1 8.599 ppm2 1.629 CV 1 ASSI { 623} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15307E-02 ppm1 7.374 ppm2 4.194 CV 1 ASSI { 626} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 8.599 ppm2 2.873 CV 1 ASSI { 631} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14922E-02 ppm1 7.392 ppm2 2.684 CV 1 ASSI { 632} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HE3 )) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.14843E-02 ppm1 9.121 ppm2 6.991 CV 1 ASSI { 633} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HN )) 3.200 1.300 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.14826E-02 ppm1 8.862 ppm2 8.604 CV 1 ASSI { 637} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HG12)) 2.500 2.500 3.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14721E-02 ppm1 8.922 ppm2 1.280 CV 1 ASSI { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 8.863 ppm2 3.621 CV 1 OR { 639} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 641} (( segid " " and resid 138 and name HN )) (( segid " " and resid 146 and name HA )) 3.300 1.400 1.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.14690E-02 ppm1 9.533 ppm2 5.874 CV 1 ASSI { 642} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.900 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 7.125 ppm2 5.047 CV 1 ASSI { 645} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 8.351 ppm2 7.074 CV 1 ASSI { 649} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.313 ppm2 2.044 CV 1 ASSI { 652} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.861 ppm2 0.755 CV 1 ASSI { 653} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB3 )) 4.500 2.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14037E-02 ppm1 6.601 ppm2 2.643 CV 1 ASSI { 654} (( segid " " and resid 144 and name HN )) ( segid " " and resid 139 and name HG2%) 3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13996E-02 ppm1 8.434 ppm2 0.735 CV 1 ASSI { 655} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.900 1.900 1.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.13898E-02 ppm1 7.402 ppm2 2.674 CV 1 ASSI { 656} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.13874E-02 ppm1 8.471 ppm2 5.216 CV 1 ASSI { 658} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.800 1.800 1.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 8.474 ppm2 4.686 CV 1 ASSI { 659} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.600 1.700 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.13763E-02 ppm1 7.404 ppm2 2.796 CV 1 ASSI { 666} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 9.121 ppm2 2.648 CV 1 ASSI { 667} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 4.200 2.200 1.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 7.392 ppm2 2.819 CV 1 ASSI { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 4.100 2.100 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 8.973 ppm2 2.005 CV 1 OR { 668} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) ASSI { 672} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.700 2.800 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13238E-02 ppm1 8.244 ppm2 2.659 CV 1 ASSI { 673} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.600 2.600 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13215E-02 ppm1 8.363 ppm2 1.198 CV 1 ASSI { 674} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 8.362 ppm2 4.063 CV 1 ASSI { 676} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 3.700 1.700 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 8.363 ppm2 3.701 CV 1 ASSI { 679} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13087E-02 ppm1 8.060 ppm2 4.086 CV 1 ASSI { 680} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 2.500 3.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13075E-02 ppm1 7.403 ppm2 4.509 CV 1 ASSI { 683} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.000 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 8.813 ppm2 5.872 CV 1 ASSI { 684} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA1 )) 3.800 1.800 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 8.364 ppm2 3.549 CV 1 ASSI { 685} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.900 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 9.111 ppm2 3.756 CV 1 ASSI { 686} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB2 )) 4.500 2.500 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12859E-02 ppm1 6.587 ppm2 2.692 CV 1 ASSI { 687} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HA )) 4.500 2.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.12838E-02 ppm1 7.855 ppm2 4.224 CV 1 ASSI { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.800 1.800 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.12807E-02 ppm1 9.532 ppm2 1.750 CV 1 OR { 690} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 693} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12704E-02 ppm1 7.545 ppm2 4.520 CV 1 ASSI { 694} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.700 1.800 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.12690E-02 ppm1 7.500 ppm2 2.873 CV 1 ASSI { 695} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 8.541 ppm2 1.810 CV 1 ASSI { 696} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) 3.700 3.700 2.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12538E-02 ppm1 8.758 ppm2 4.293 CV 1 ASSI { 698} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.200 1.300 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 8.544 ppm2 1.932 CV 1 ASSI { 700} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG3 )) 3.400 1.500 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 7.977 ppm2 2.212 CV 1 ASSI { 702} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG3 )) 4.100 2.100 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.12308E-02 ppm1 6.778 ppm2 2.525 CV 1 ASSI { 706} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 3.500 1.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 7.125 ppm2 1.818 CV 1 ASSI { 716} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.500 2.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11875E-02 ppm1 9.739 ppm2 2.992 CV 1 ASSI { 717} (( segid " " and resid 153 and name HN )) ( segid " " and resid 106 and name HB% ) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 9.072 ppm2 0.853 CV 1 ASSI { 718} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HN )) 4.400 2.400 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 8.575 ppm2 7.409 CV 1 ASSI { 719} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 8.060 ppm2 8.445 CV 1 ASSI { 720} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG2 )) 4.100 2.100 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 8.161 ppm2 2.182 CV 1 OR { 720} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 722} (( segid " " and resid 103 and name HN )) ( segid " " and resid 127 and name HG1%) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 8.968 ppm2 1.137 CV 1 ASSI { 723} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.500 1.600 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.375 ppm2 6.933 CV 1 ASSI { 724} (( segid " " and resid 117 and name HN )) (( segid " " and resid 146 and name HN )) 4.000 2.000 2.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 8.425 ppm2 8.815 CV 1 ASSI { 726} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 7.525 ppm2 2.182 CV 1 ASSI { 729} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HB2 )) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 7.854 ppm2 1.515 CV 1 ASSI { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.900 1.900 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 7.876 ppm2 3.621 CV 1 OR { 730} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 732} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG )) 3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 9.740 ppm2 1.447 CV 1 ASSI { 734} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 4.100 2.100 1.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11215E-02 ppm1 8.978 ppm2 3.961 CV 1 ASSI { 737} (( segid " " and resid 155 and name HN )) (( segid " " and resid 104 and name HN )) 4.400 2.400 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 8.544 ppm2 8.951 CV 1 ASSI { 738} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 4.500 2.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 8.545 ppm2 2.372 CV 1 ASSI { 742} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA1 )) 4.400 2.500 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 9.154 ppm2 3.863 CV 1 ASSI { 744} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 9.118 ppm2 5.041 CV 1 ASSI { 751} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG3 )) 4.800 2.900 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 8.310 ppm2 2.207 CV 1 ASSI { 752} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.700 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10783E-02 ppm1 9.739 ppm2 2.727 CV 1 ASSI { 754} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 7.126 ppm2 4.708 CV 1 ASSI { 756} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.900 1.900 1.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 9.027 ppm2 4.709 CV 1 ASSI { 760} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) 4.400 2.400 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 7.829 ppm2 5.054 CV 1 ASSI { 765} (( segid " " and resid 101 and name HN )) (( segid " " and resid 127 and name HN )) 3.200 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10473E-02 ppm1 8.488 ppm2 9.002 CV 1 ASSI { 766} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10459E-02 ppm1 8.863 ppm2 1.627 CV 1 ASSI { 767} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 4.300 2.300 1.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 8.254 ppm2 6.926 CV 1 ASSI { 768} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.500 1.500 1.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10441E-02 ppm1 8.968 ppm2 2.618 CV 1 ASSI { 769} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.300 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 7.976 ppm2 1.114 CV 1 ASSI { 771} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 9.109 ppm2 1.690 CV 1 ASSI { 772} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB3 )) 4.300 2.400 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 9.062 ppm2 2.752 CV 1 ASSI { 774} (( segid " " and resid 105 and name HN )) (( segid " " and resid 124 and name HA )) 3.600 1.600 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.10216E-02 ppm1 9.110 ppm2 4.835 CV 1 ASSI { 775} (( segid " " and resid 145 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 8.980 ppm2 1.427 CV 1 ASSI { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.600 1.600 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10127E-02 ppm1 9.005 ppm2 1.663 CV 1 OR { 777} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 778} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HA )) 3.400 3.400 2.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10096E-02 ppm1 10.055 ppm2 4.290 CV 1 ASSI { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.300 2.300 1.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 9.004 ppm2 1.506 CV 1 OR { 782} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 789} (( segid " " and resid 136 and name HN )) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.99315E-03 ppm1 8.472 ppm2 3.697 CV 1 ASSI { 791} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.98464E-03 ppm1 7.123 ppm2 4.518 CV 1 ASSI { 795} (( segid " " and resid 153 and name HN )) (( segid " " and resid 105 and name HA )) 3.700 1.700 1.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.97697E-03 ppm1 9.074 ppm2 3.757 CV 1 ASSI { 796} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.500 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.97649E-03 ppm1 7.977 ppm2 1.278 CV 1 ASSI { 797} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB3 )) 4.700 2.800 1.300 peak 797 spectrum 1 weight 0.10000E+01 volume 0.97220E-03 ppm1 8.474 ppm2 2.476 CV 1 ASSI { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB3 )) 2.600 2.600 3.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.96437E-03 ppm1 8.159 ppm2 3.807 CV 1 OR { 799} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 800} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG13)) 4.000 2.000 2.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.96361E-03 ppm1 8.153 ppm2 1.560 CV 1 ASSI { 802} (( segid " " and resid 101 and name HN )) ( segid " " and resid 128 and name HG2%) 4.600 2.600 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.96300E-03 ppm1 8.487 ppm2 0.789 CV 1 ASSI { 807} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 3.400 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.95606E-03 ppm1 8.058 ppm2 9.062 CV 1 ASSI { 809} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD2%) 3.600 1.600 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.95353E-03 ppm1 8.862 ppm2 0.467 CV 1 ASSI { 811} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.95237E-03 ppm1 8.968 ppm2 2.980 CV 1 ASSI { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD1%) 2.700 2.700 3.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.94888E-03 ppm1 6.778 ppm2 0.790 CV 1 OR { 812} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD2%) ASSI { 814} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 4.600 2.700 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.94149E-03 ppm1 8.363 ppm2 4.709 CV 1 ASSI { 817} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB3 )) 5.800 4.200 0.200 peak 817 spectrum 1 weight 0.10000E+01 volume 0.93029E-03 ppm1 8.244 ppm2 2.852 CV 1 ASSI { 818} (( segid " " and resid 107 and name HN )) (( segid " " and resid 152 and name HA )) 4.300 2.400 1.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.92953E-03 ppm1 7.374 ppm2 5.045 CV 1 ASSI { 820} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.300 2.300 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.92616E-03 ppm1 8.488 ppm2 8.696 CV 1 ASSI { 822} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.500 2.500 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.92030E-03 ppm1 8.679 ppm2 1.783 CV 1 ASSI { 827} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 7.501 ppm2 8.605 CV 1 ASSI { 830} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.900 1.900 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.89537E-03 ppm1 8.542 ppm2 1.678 CV 1 ASSI { 832} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HA )) 4.900 2.900 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.88879E-03 ppm1 10.056 ppm2 5.219 CV 1 ASSI { 834} (( segid " " and resid 139 and name HN )) (( segid " " and resid 127 and name HA )) 3.500 1.500 1.500 peak 834 spectrum 1 weight 0.10000E+01 volume 0.88553E-03 ppm1 8.922 ppm2 4.146 CV 1 ASSI { 835} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.88445E-03 ppm1 8.254 ppm2 7.364 CV 1 ASSI { 846} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.700 1.700 1.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.87004E-03 ppm1 8.247 ppm2 7.072 CV 1 ASSI { 849} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.86354E-03 ppm1 7.830 ppm2 4.347 CV 1 ASSI { 851} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.300 2.300 1.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.86133E-03 ppm1 8.689 ppm2 8.963 CV 1 ASSI { 853} (( segid " " and resid 103 and name HN )) (( segid " " and resid 125 and name HB )) 3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.85647E-03 ppm1 8.971 ppm2 1.283 CV 1 ASSI { 855} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.85350E-03 ppm1 8.472 ppm2 2.665 CV 1 ASSI { 858} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.100 2.100 1.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.84355E-03 ppm1 8.442 ppm2 1.721 CV 1 ASSI { 859} (( segid " " and resid 135 and name HN )) (( segid " " and resid 130 and name HB3 )) 4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.84331E-03 ppm1 8.358 ppm2 1.715 CV 1 ASSI { 864} (( segid " " and resid 104 and name HN )) (( segid " " and resid 154 and name HA )) 4.800 2.900 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.83737E-03 ppm1 8.972 ppm2 4.350 CV 1 ASSI { 867} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.82540E-03 ppm1 9.118 ppm2 2.987 CV 1 ASSI { 869} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.300 2.300 1.700 peak 869 spectrum 1 weight 0.10000E+01 volume 0.82312E-03 ppm1 8.472 ppm2 2.996 CV 1 ASSI { 870} (( segid " " and resid 138 and name HN )) ( segid " " and resid 127 and name HG1%) 3.600 1.600 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.82195E-03 ppm1 9.532 ppm2 1.120 CV 1 ASSI { 878} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 149 and name HB3 )) 3.800 1.800 1.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.81372E-03 ppm1 10.055 ppm2 2.182 CV 1 ASSI { 884} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HA )) 2.900 2.900 3.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.282 ppm2 4.181 CV 1 ASSI { 885} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.400 2.400 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.79971E-03 ppm1 8.138 ppm2 2.013 CV 1 ASSI { 890} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.400 2.400 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.79205E-03 ppm1 7.527 ppm2 1.198 CV 1 ASSI { 894} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.78719E-03 ppm1 8.864 ppm2 2.874 CV 1 ASSI { 900} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HG )) 4.400 2.400 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.77230E-03 ppm1 8.597 ppm2 1.850 CV 1 ASSI { 902} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.77009E-03 ppm1 8.343 ppm2 7.463 CV 1 ASSI { 904} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 4.300 2.300 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.76535E-03 ppm1 8.255 ppm2 8.610 CV 1 ASSI { 906} (( segid " " and resid 139 and name HN )) ( segid " " and resid 127 and name HG1%) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.76214E-03 ppm1 8.923 ppm2 1.126 CV 1 ASSI { 909} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) 4.200 2.300 1.800 peak 909 spectrum 1 weight 0.10000E+01 volume 0.75391E-03 ppm1 9.874 ppm2 2.653 CV 1 ASSI { 913} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG3 )) 4.600 2.700 1.400 peak 913 spectrum 1 weight 0.10000E+01 volume 0.74183E-03 ppm1 9.007 ppm2 2.209 CV 1 ASSI { 918} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HB )) 4.800 2.800 1.200 peak 918 spectrum 1 weight 0.10000E+01 volume 0.73368E-03 ppm1 8.239 ppm2 1.794 CV 1 ASSI { 919} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.73272E-03 ppm1 8.430 ppm2 7.400 CV 1 ASSI { 922} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB2 )) 4.500 2.600 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.73091E-03 ppm1 7.578 ppm2 1.321 CV 1 OR { 922} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB3 )) ASSI { 925} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HA )) 4.300 2.300 1.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.72702E-03 ppm1 8.158 ppm2 4.561 CV 1 ASSI { 930} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.71843E-03 ppm1 7.875 ppm2 8.852 CV 1 ASSI { 934} (( segid " " and resid 117 and name HN )) (( segid " " and resid 111 and name HB2 )) 4.600 2.600 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.71430E-03 ppm1 8.427 ppm2 1.995 CV 1 ASSI { 937} (( segid " " and resid 153 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.300 2.300 1.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.71209E-03 ppm1 9.071 ppm2 2.617 CV 1 ASSI { 940} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.71165E-03 ppm1 9.061 ppm2 2.346 CV 1 ASSI { 941} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HN )) 5.400 3.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.71116E-03 ppm1 9.111 ppm2 8.447 CV 1 ASSI { 942} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HB3 )) 4.400 2.400 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.70823E-03 ppm1 8.158 ppm2 2.599 CV 1 OR { 942} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 944} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HA )) 4.100 2.100 1.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.70755E-03 ppm1 7.579 ppm2 4.205 CV 1 ASSI { 947} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.300 0.600 0.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.347 ppm2 1.801 CV 1 ASSI { 950} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 133 and name HG3 )) 3.800 1.800 1.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.70217E-03 ppm1 9.876 ppm2 2.178 CV 1 ASSI { 952} (( segid " " and resid 135 and name HN )) ( segid " " and resid 128 and name HG1%) 4.300 2.300 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.70153E-03 ppm1 8.364 ppm2 0.844 CV 1 ASSI { 955} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD21)) 4.900 3.000 1.100 peak 955 spectrum 1 weight 0.10000E+01 volume 0.70017E-03 ppm1 8.362 ppm2 7.319 CV 1 ASSI { 957} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.800 2.800 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.69892E-03 ppm1 9.739 ppm2 1.175 CV 1 ASSI { 959} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.300 1.400 1.400 peak 959 spectrum 1 weight 0.10000E+01 volume 0.69675E-03 ppm1 7.545 ppm2 2.643 CV 1 ASSI { 961} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HA )) 4.500 2.600 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.69238E-03 ppm1 8.244 ppm2 5.219 CV 1 ASSI { 963} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HA )) 4.600 2.700 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.69077E-03 ppm1 9.122 ppm2 4.785 CV 1 ASSI { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.600 2.600 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.68917E-03 ppm1 8.920 ppm2 1.518 CV 1 OR { 965} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 966} (( segid " " and resid 145 and name HN )) (( segid " " and resid 137 and name HA )) 4.300 2.300 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.68684E-03 ppm1 8.979 ppm2 5.204 CV 1 ASSI { 969} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB2 )) 4.300 2.300 1.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.68487E-03 ppm1 7.438 ppm2 2.000 CV 1 ASSI { 971} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HG1%) 4.500 2.600 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.68078E-03 ppm1 9.153 ppm2 1.142 CV 1 ASSI { 975} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.400 2.400 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.67801E-03 ppm1 8.362 ppm2 2.196 CV 1 ASSI { 978} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 3.800 1.800 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.67135E-03 ppm1 8.923 ppm2 8.536 CV 1 ASSI { 981} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB3 )) 4.100 2.100 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.66288E-03 ppm1 7.438 ppm2 2.213 CV 1 ASSI { 984} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.900 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.346 ppm2 1.702 CV 1 ASSI { 989} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) 4.900 3.000 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.65846E-03 ppm1 9.741 ppm2 1.765 CV 1 ASSI { 992} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.100 2.100 1.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.65533E-03 ppm1 8.472 ppm2 2.725 CV 1 ASSI { 995} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 4.700 2.800 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.65400E-03 ppm1 8.922 ppm2 4.294 CV 1 ASSI { 997} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HA )) 3.900 1.900 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.65236E-03 ppm1 7.343 ppm2 4.514 CV 1 ASSI { 998} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 132 and name HB2 )) 4.600 2.600 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.65027E-03 ppm1 9.876 ppm2 2.018 CV 1 ASSI { 999} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.65003E-03 ppm1 7.444 ppm2 4.694 CV 1 ASSI { 1001} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HB3 )) 4.500 2.600 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.64822E-03 ppm1 8.348 ppm2 2.878 CV 1 ASSI { 1004} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 133 and name HA )) 4.500 2.500 1.500 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.64509E-03 ppm1 10.055 ppm2 4.054 CV 1 ASSI { 1007} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.63939E-03 ppm1 7.829 ppm2 2.720 CV 1 ASSI { 1010} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.500 2.600 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.63699E-03 ppm1 8.350 ppm2 1.513 CV 1 ASSI { 1013} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB2 )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.63373E-03 ppm1 7.575 ppm2 2.002 CV 1 ASSI { 1015} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 4.300 2.300 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.62908E-03 ppm1 8.675 ppm2 -0.170 CV 1 ASSI { 1021} (( segid " " and resid 152 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.62249E-03 ppm1 7.124 ppm2 6.874 CV 1 ASSI { 1028} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.700 2.700 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.61190E-03 ppm1 8.540 ppm2 1.531 CV 1 OR { 1028} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG3 )) ASSI { 1032} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.600 1.700 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.60808E-03 ppm1 7.392 ppm2 8.551 CV 1 ASSI { 1033} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.300 2.300 1.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.60788E-03 ppm1 8.977 ppm2 8.820 CV 1 ASSI { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD1%) 2.900 2.900 3.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.60222E-03 ppm1 7.579 ppm2 0.784 CV 1 OR { 1038} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD2%) ASSI { 1044} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.200 2.200 1.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 8.978 ppm2 2.063 CV 1 ASSI { 1045} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.59151E-03 ppm1 8.921 ppm2 9.535 CV 1 ASSI { 1047} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.58886E-03 ppm1 7.703 ppm2 4.362 CV 1 ASSI { 1052} (( segid " " and resid 138 and name HN )) ( segid " " and resid 125 and name HG2%) 4.800 2.900 1.200 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.58460E-03 ppm1 9.533 ppm2 0.422 CV 1 ASSI { 1058} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.57842E-03 ppm1 8.427 ppm2 7.869 CV 1 ASSI { 1061} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.100 1.200 1.200 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.278 ppm2 1.784 CV 1 ASSI { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HG2 )) 5.600 3.900 0.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.57164E-03 ppm1 8.968 ppm2 1.963 CV 1 OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB2 )) OR { 1065} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB3 )) ASSI { 1072} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.300 2.300 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.56542E-03 ppm1 8.362 ppm2 1.595 CV 1 ASSI { 1076} (( segid " " and resid 128 and name HN )) (( segid " " and resid 139 and name HN )) 5.600 3.900 0.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.55939E-03 ppm1 9.154 ppm2 8.932 CV 1 ASSI { 1080} (( segid " " and resid 101 and name HN )) ( segid " " and resid 127 and name HG1%) 5.000 3.200 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.55534E-03 ppm1 8.487 ppm2 1.129 CV 1 ASSI { 1082} (( segid " " and resid 107 and name HN )) (( segid " " and resid 151 and name HA )) 4.300 2.400 1.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.55450E-03 ppm1 7.376 ppm2 4.720 CV 1 ASSI { 1085} (( segid " " and resid 117 and name HN )) ( segid " " and resid 109 and name HE% ) 4.700 2.800 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.55381E-03 ppm1 8.429 ppm2 6.862 CV 1 ASSI { 1086} (( segid " " and resid 138 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.55365E-03 ppm1 9.532 ppm2 5.449 CV 1 ASSI { 1090} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HA )) 5.700 4.100 0.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.54811E-03 ppm1 6.778 ppm2 4.225 CV 1 ASSI { 1091} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.800 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.346 ppm2 1.749 CV 1 ASSI { 1095} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.300 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.545 ppm2 4.466 CV 1 ASSI { 1098} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 134 and name HA2 )) 4.300 2.300 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.54081E-03 ppm1 9.876 ppm2 3.951 CV 1 ASSI { 1100} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.700 2.700 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.54029E-03 ppm1 8.245 ppm2 1.518 CV 1 ASSI { 1112} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HA )) 4.800 2.900 1.200 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.53250E-03 ppm1 7.080 ppm2 4.367 CV 1 ASSI { 1124} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.100 1.200 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.677 ppm2 8.303 CV 1 ASSI { 1125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.677 ppm2 7.971 CV 1 ASSI { 1126} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.500 1.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 7.973 ppm2 -0.166 CV 1 ASSI { 1130} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.400 0.700 0.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.349 ppm2 8.248 CV 1 ASSI { 1131} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.247 ppm2 8.918 CV 1 ASSI { 1132} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HE1 )) 2.600 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.784 ppm2 10.055 CV 1 ASSI { 1134} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 2.800 2.800 3.200 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.473 ppm2 8.769 CV 1 ASSI { 1136} (( segid " " and resid 137 and name HN )) (( segid " " and resid 128 and name HN )) 2.300 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.758 ppm2 9.136 CV 1 ASSI { 1137} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 2.700 2.700 3.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.759 ppm2 9.520 CV 1 ASSI { 1138} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.739 ppm2 9.127 CV 1 ASSI { 1140} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HE3 )) 2.900 2.900 3.100 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.121 ppm2 6.478 CV 1 ASSI { 1141} (( segid " " and resid 147 and name HN )) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.122 ppm2 9.541 CV 1 ASSI { 1142} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.900 2.900 3.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.121 ppm2 8.802 CV 1 ASSI { 1144} (( segid " " and resid 119 and name HN )) (( segid " " and resid 108 and name HA )) 3.200 3.200 2.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.862 ppm2 4.096 CV 1 ASSI { 1146} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.005 ppm2 7.981 CV 1 ASSI { 1147} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.155 ppm2 8.983 CV 1 ASSI { 1148} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.534 ppm2 5.237 CV 1 ASSI { 1149} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.300 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 9.153 ppm2 4.187 CV 1 ASSI { 1150} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.310 ppm2 4.835 CV 1 ASSI { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD2%) 2.600 0.900 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 10.054 ppm2 0.748 CV 1 OR { 1151} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD1%) ASSI { 1153} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HE% ) 3.100 3.100 2.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 7.500 ppm2 6.865 CV 1 ASSI { 1154} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.244 ppm2 4.294 CV 1 ASSI { 1155} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.600 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.244 ppm2 3.991 CV 1 ASSI { 1157} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA2 )) 2.900 1.100 1.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.785 ppm2 3.952 CV 1 ASSI { 1159} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.344 ppm2 1.724 CV 1 ASSI { 1160} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 3.100 3.100 2.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.327 ppm2 3.990 CV 1 ASSI { 1161} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.700 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.71799E-02 ppm1 8.323 ppm2 2.002 CV 1 ASSI { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.600 0.900 0.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.489 ppm2 1.676 CV 1 OR { 1163} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.486 ppm2 4.463 CV 1 ASSI { 1167} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.691 ppm2 1.585 CV 1 ASSI { 1168} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.975 ppm2 1.697 CV 1 ASSI { 1170} (( segid " " and resid 105 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.111 ppm2 2.759 CV 1 ASSI { 1172} (( segid " " and resid 105 and name HN )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.110 ppm2 8.670 CV 1 ASSI { 1174} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HB )) 3.200 1.300 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.075 ppm2 1.823 CV 1 ASSI { 1175} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.074 ppm2 2.163 CV 1 ASSI { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.100 3.100 2.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.599 ppm2 1.320 CV 1 OR { 1176} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 1177} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD2%) 3.500 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.598 ppm2 0.466 CV 1 ASSI { 1179} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 7.500 ppm2 4.701 CV 1 ASSI { 1180} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.026 ppm2 2.220 CV 1 ASSI { 1181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.600 0.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.026 ppm2 2.013 CV 1 ASSI { 1182} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.577 ppm2 2.820 CV 1 ASSI { 1183} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.476 ppm2 4.503 CV 1 ASSI { 1184} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.575 ppm2 2.613 CV 1 ASSI { 1185} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.300 1.300 1.300 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.576 ppm2 2.720 CV 1 ASSI { 1186} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.475 ppm2 2.622 CV 1 ASSI { 1189} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HD2%) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 7.875 ppm2 0.466 CV 1 ASSI { 1190} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.862 ppm2 1.936 CV 1 ASSI { 1191} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.863 ppm2 1.786 CV 1 ASSI { 1194} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.062 ppm2 4.563 CV 1 ASSI { 1196} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.800 1.000 1.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.060 ppm2 1.771 CV 1 ASSI { 1197} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.200 0.600 0.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 9.062 ppm2 1.612 CV 1 ASSI { 1198} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.72417E-02 ppm1 8.060 ppm2 1.614 CV 1 ASSI { 1199} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 8.143 ppm2 1.617 CV 1 ASSI { 1200} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 8.141 ppm2 4.446 CV 1 ASSI { 1203} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) 2.500 0.800 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 8.312 ppm2 1.783 CV 1 ASSI { 1204} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 2.700 0.900 0.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 9.000 ppm2 0.416 CV 1 ASSI { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.300 3.300 2.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 9.006 ppm2 1.756 CV 1 OR { 1205} (( segid " " and resid 127 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 1206} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB )) 3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.72457E-02 ppm1 9.006 ppm2 1.923 CV 1 ASSI { 1208} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.345 ppm2 4.290 CV 1 ASSI { 1210} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.245 ppm2 2.233 CV 1 ASSI { 1211} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.600 0.800 0.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.244 ppm2 2.005 CV 1 ASSI { 1212} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.200 1.200 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.784 ppm2 7.054 CV 1 ASSI { 1213} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB3 )) 2.700 0.900 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.912 ppm2 2.005 CV 1 ASSI { 1214} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.100 1.200 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.912 ppm2 1.960 CV 1 ASSI { 1215} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.785 ppm2 1.959 CV 1 ASSI { 1216} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG1%) 2.700 2.700 3.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.913 ppm2 0.857 CV 1 ASSI { 1217} (( segid " " and resid 136 and name HN )) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.471 ppm2 6.838 CV 1 ASSI { 1219} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.363 ppm2 4.789 CV 1 ASSI { 1220} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.473 ppm2 2.839 CV 1 ASSI { 1221} (( segid " " and resid 149 and name HN )) (( segid " " and resid 136 and name HN )) 2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 7.526 ppm2 8.470 CV 1 ASSI { 1225} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.759 ppm2 5.183 CV 1 ASSI { 1228} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 9.129 ppm2 8.454 CV 1 ASSI { 1230} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.200 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.923 ppm2 0.731 CV 1 ASSI { 1231} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG1%) 2.900 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.473 ppm2 0.841 CV 1 ASSI { 1236} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.400 2.400 3.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.811 ppm2 2.050 CV 1 ASSI { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.400 3.400 2.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.811 ppm2 1.749 CV 1 OR { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1238} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.900 2.900 3.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 9.119 ppm2 2.883 CV 1 ASSI { 1239} (( segid " " and resid 147 and name HN )) ( segid " " and resid 128 and name HG1%) 1.900 1.900 4.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 9.121 ppm2 0.821 CV 1 ASSI { 1241} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.300 0.600 0.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 7.524 ppm2 2.649 CV 1 ASSI { 1242} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 2.600 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.363 ppm2 7.110 CV 1 ASSI { 1244} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 7.545 ppm2 2.558 CV 1 ASSI { 1245} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.200 3.200 2.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.363 ppm2 2.913 CV 1 ASSI { 1247} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 7.126 ppm2 2.913 CV 1 ASSI { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.900 1.100 1.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 9.072 ppm2 1.704 CV 1 OR { 1249} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 1251} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.100 0.600 0.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.546 ppm2 2.973 CV 1 ASSI { 1252} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB3 )) 1.900 1.900 4.100 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.454 ppm2 2.122 CV 1 ASSI { 1253} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.454 ppm2 4.445 CV 1 ASSI { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.535 ppm2 3.853 CV 1 OR { 1254} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA2 )) 2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.199 ppm2 3.820 CV 1 OR { 1256} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.600 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.536 ppm2 3.820 CV 1 OR { 1257} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1258} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.400 0.700 0.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.310 ppm2 4.395 CV 1 ASSI { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB2 )) 2.900 2.900 3.100 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.309 ppm2 2.615 CV 1 OR { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB3 )) ASSI { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.310 ppm2 4.257 CV 1 ASSI { 1261} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.198 ppm2 4.256 CV 1 ASSI { 1262} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.100 1.200 1.200 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.198 ppm2 2.050 CV 1 ASSI { 1265} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.000 1.200 1.200 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.159 ppm2 1.880 CV 1 ASSI { 1266} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HG2 )) 1.900 1.900 4.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.239 ppm2 2.186 CV 1 OR { 1266} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 1267} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.700 2.700 3.300 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.239 ppm2 1.996 CV 1 ASSI { 1268} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.159 ppm2 4.227 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.158 ppm2 1.511 CV 1 ASSI { 1270} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.900 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.472 ppm2 7.078 CV 1 ASSI { 1271} (( segid " " and resid 151 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 7.547 ppm2 6.866 CV 1 ASSI { 1272} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 7.830 ppm2 9.723 CV 1 ASSI { 1273} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 9.875 ppm2 8.357 CV 1 ASSI { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.400 3.400 2.600 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 8.472 ppm2 1.756 CV 1 OR { 1275} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 1276} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB3 )) 3.800 1.800 1.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.72875E-02 ppm1 6.778 ppm2 2.207 CV 1 ASSI { 1277} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB2 )) 3.100 1.200 1.200 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.72875E-02 ppm1 6.778 ppm2 2.003 CV 1 ASSI { 1279} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB3 )) 3.100 1.200 1.200 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.72875E-02 ppm1 6.778 ppm2 1.319 CV 1 OR { 1279} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB2 )) ASSI { 1280} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HB3 )) 3.000 3.000 3.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.72875E-02 ppm1 7.702 ppm2 1.765 CV 1 ASSI { 1} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 1.963 ppm2 4.165 CV 1 ASSI { 9} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 0.779 ppm2 2.875 CV 1 ASSI { 14} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 127 and name HA )) 2.300 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 3.846 ppm2 4.122 CV 1 ASSI { 15} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 147 and name HD% ) 2.600 2.600 3.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 5.224 ppm2 6.859 CV 1 ASSI { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD1%) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.510 ppm2 0.727 CV 1 OR { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD2%) OR { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD1%) OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD2%) ASSI { 29} (( segid " " and resid 162 and name HA )) ( segid " " and resid 164 and name HD1%) 2.600 2.600 3.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 4.199 ppm2 0.733 CV 1 ASSI { 34} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HB3 )) 1.900 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.473 ppm2 1.601 CV 1 ASSI { 37} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 -0.191 ppm2 4.272 CV 1 ASSI { 44} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 116 and name HB2 )) 2.800 2.800 3.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 2.191 ppm2 2.190 CV 1 ASSI { 48} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 1.800 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.685 ppm2 1.804 CV 1 ASSI { 50} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 4.185 ppm2 1.988 CV 1 ASSI { 54} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.900 0.400 0.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.990 ppm2 2.202 CV 1 ASSI { 58} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.939 ppm2 5.347 CV 1 OR { 58} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 69} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 2.001 ppm2 4.036 CV 1 OR { 69} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) ASSI { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB2 )) 1.200 0.200 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.27402E+00 ppm1 1.516 ppm2 1.514 CV 1 OR { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB3 )) ASSI { 112} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.400 1.400 4.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.23741E+00 ppm1 2.624 ppm2 2.616 CV 1 ASSI { 115} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 105 and name HG2%) 1.200 0.200 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.23180E+00 ppm1 0.717 ppm2 0.718 CV 1 ASSI { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HG2 )) 1.800 1.800 4.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.54522E-01 ppm1 1.867 ppm2 1.960 CV 1 OR { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HB3 )) OR { 167} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 126 and name HB2 )) ASSI { 172} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.50376E-01 ppm1 2.258 ppm2 2.015 CV 1 ASSI { 173} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 2.100 2.100 3.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.49332E-01 ppm1 2.025 ppm2 1.919 CV 1 ASSI { 181} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HB2 )) 2.000 2.000 4.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.39381E-01 ppm1 1.918 ppm2 2.018 CV 1 ASSI { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG3 )) 1.900 0.400 0.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.31541E-01 ppm1 1.979 ppm2 2.173 CV 1 OR { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG2 )) ASSI { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 1.900 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.26227E-01 ppm1 1.662 ppm2 1.510 CV 1 OR { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) ASSI { 210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 152 and name HG13)) 2.300 2.300 3.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.25269E-01 ppm1 1.511 ppm2 1.412 CV 1 OR { 210} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 152 and name HG13)) ASSI { 216} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.800 0.400 0.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.22883E-01 ppm1 2.592 ppm2 2.702 CV 1 ASSI { 221} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HG13)) 1.700 0.400 0.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.22035E-01 ppm1 1.052 ppm2 1.323 CV 1 ASSI { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.20726E-01 ppm1 1.977 ppm2 2.194 CV 1 OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) ASSI { 227} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HG )) 1.900 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.20091E-01 ppm1 0.784 ppm2 1.464 CV 1 OR { 227} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HG )) ASSI { 245} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 128 and name HA )) 1.500 1.500 4.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.17705E-01 ppm1 0.712 ppm2 4.204 CV 1 OR { 245} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 128 and name HA )) ASSI { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG2 )) 2.000 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.17168E-01 ppm1 1.559 ppm2 1.267 CV 1 OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG3 )) OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 253} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD2%) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16714E-01 ppm1 1.511 ppm2 0.731 CV 1 OR { 253} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) ASSI { 255} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 127 and name HG2%) 1.800 0.400 0.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16349E-01 ppm1 1.132 ppm2 0.754 CV 1 ASSI { 258} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HG3 )) 1.800 0.400 0.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.16184E-01 ppm1 2.324 ppm2 2.498 CV 1 ASSI { 261} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16036E-01 ppm1 1.696 ppm2 0.706 CV 1 ASSI { 266} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HG2%) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.15793E-01 ppm1 3.938 ppm2 1.093 CV 1 ASSI { 268} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.900 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15504E-01 ppm1 2.973 ppm2 2.704 CV 1 ASSI { 273} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) 2.100 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.15078E-01 ppm1 1.697 ppm2 0.787 CV 1 ASSI { 279} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB2 )) 2.100 0.500 0.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.14721E-01 ppm1 1.914 ppm2 1.744 CV 1 OR { 279} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB3 )) ASSI { 281} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.100 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14681E-01 ppm1 4.180 ppm2 0.844 CV 1 ASSI { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB3 )) 2.000 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.13994E-01 ppm1 0.829 ppm2 1.741 CV 1 OR { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB2 )) ASSI { 291} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13891E-01 ppm1 2.602 ppm2 4.534 CV 1 ASSI { 293} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HA )) 2.300 2.300 3.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.13724E-01 ppm1 4.521 ppm2 4.282 CV 1 ASSI { 296} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HD1%) 2.100 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.13500E-01 ppm1 1.056 ppm2 0.727 CV 1 ASSI { 298} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 105 and name HG2%) 2.000 0.500 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.13368E-01 ppm1 0.864 ppm2 0.716 CV 1 ASSI { 302} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HA )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.11828E-01 ppm1 0.688 ppm2 3.743 CV 1 ASSI { 310} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 119 and name HD1%) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12500E-01 ppm1 0.876 ppm2 0.753 CV 1 ASSI { 313} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB2 )) 2.000 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.12432E-01 ppm1 2.884 ppm2 1.600 CV 1 OR { 313} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 315} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.12323E-01 ppm1 3.913 ppm2 4.075 CV 1 OR { 315} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) ASSI { 317} ( segid " " and resid 139 and name HG1%) ( segid " " and resid 144 and name HG2%) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 0.822 ppm2 1.093 CV 1 ASSI { 321} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HB2 )) 1.800 0.400 0.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.12075E-01 ppm1 1.845 ppm2 1.705 CV 1 ASSI { 325} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HB2 )) 1.800 0.400 0.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.11713E-01 ppm1 1.740 ppm2 1.596 CV 1 ASSI { 336} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 2.000 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.11331E-01 ppm1 2.798 ppm2 2.661 CV 1 ASSI { 344} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.400 2.400 3.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.10819E-01 ppm1 2.628 ppm2 2.511 CV 1 ASSI { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB3 )) 2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.10694E-01 ppm1 4.387 ppm2 3.812 CV 1 OR { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 353} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.200 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10466E-01 ppm1 1.334 ppm2 0.725 CV 1 ASSI { 358} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HB )) 1.700 0.400 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11828E-01 ppm1 0.689 ppm2 2.136 CV 1 ASSI { 366} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.300 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.10067E-01 ppm1 2.884 ppm2 0.709 CV 1 ASSI { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD3 )) 2.200 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.96814E-02 ppm1 2.806 ppm2 1.545 CV 1 OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD3 )) OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD2 )) OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD2 )) ASSI { 376} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.96762E-02 ppm1 0.753 ppm2 4.166 CV 1 ASSI { 377} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.95409E-02 ppm1 1.858 ppm2 0.819 CV 1 ASSI { 378} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB3 )) 1.800 0.400 0.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.94980E-02 ppm1 1.997 ppm2 2.249 CV 1 ASSI { 387} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.800 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.92399E-02 ppm1 1.250 ppm2 1.414 CV 1 ASSI { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB3 )) 2.300 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.92206E-02 ppm1 4.533 ppm2 2.605 CV 1 OR { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB2 )) ASSI { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD1%) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.92166E-02 ppm1 1.099 ppm2 0.662 CV 1 OR { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD2%) ASSI { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) 2.400 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.91849E-02 ppm1 4.011 ppm2 0.763 CV 1 OR { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) ASSI { 392} (( segid " " and resid 129 and name HA1 )) (( segid " " and resid 129 and name HA2 )) 1.900 0.500 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.91640E-02 ppm1 3.711 ppm2 4.001 CV 1 ASSI { 400} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 127 and name HA )) 1.700 1.700 4.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.90255E-02 ppm1 1.100 ppm2 4.160 CV 1 ASSI { 402} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.89569E-02 ppm1 4.001 ppm2 3.708 CV 1 ASSI { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.89457E-02 ppm1 1.693 ppm2 1.281 CV 1 OR { 403} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD1%) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.87919E-02 ppm1 4.454 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) ASSI { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 2.000 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.85659E-02 ppm1 1.996 ppm2 2.147 CV 1 OR { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85647E-02 ppm1 2.246 ppm2 2.150 CV 1 OR { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG2 )) ASSI { 428} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 134 and name HA1 )) 2.100 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.83949E-02 ppm1 3.922 ppm2 3.522 CV 1 ASSI { 430} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.000 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.83729E-02 ppm1 0.401 ppm2 -0.190 CV 1 ASSI { 432} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.300 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.83435E-02 ppm1 1.859 ppm2 4.170 CV 1 ASSI { 433} (( segid " " and resid 117 and name HG )) (( segid " " and resid 117 and name HB2 )) 2.000 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.83283E-02 ppm1 1.477 ppm2 1.277 CV 1 ASSI { 434} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 119 and name HD1%) 2.100 0.500 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.83255E-02 ppm1 0.450 ppm2 0.754 CV 1 ASSI { 435} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.600 2.600 3.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.83199E-02 ppm1 4.230 ppm2 1.642 CV 1 ASSI { 439} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HG3 )) 2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.81886E-02 ppm1 1.957 ppm2 2.196 CV 1 ASSI { 442} (( segid " " and resid 117 and name HA )) ( segid " " and resid 139 and name HG2%) 2.800 2.800 3.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.81746E-02 ppm1 4.350 ppm2 0.722 CV 1 ASSI { 445} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 2.100 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.81489E-02 ppm1 4.091 ppm2 3.468 CV 1 ASSI { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.80417E-02 ppm1 3.962 ppm2 0.820 CV 1 OR { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG1%) ASSI { 451} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.80272E-02 ppm1 1.094 ppm2 0.737 CV 1 ASSI { 452} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.80252E-02 ppm1 2.202 ppm2 4.038 CV 1 OR { 452} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) ASSI { 454} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 117 and name HB2 )) 2.600 2.600 3.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.79393E-02 ppm1 2.883 ppm2 1.300 CV 1 OR { 454} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 117 and name HB2 )) ASSI { 458} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.77964E-02 ppm1 2.260 ppm2 4.228 CV 1 ASSI { 462} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.77009E-02 ppm1 2.674 ppm2 2.793 CV 1 ASSI { 463} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HD1%) 2.300 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.76969E-02 ppm1 1.056 ppm2 0.757 CV 1 OR { 463} (( segid " " and resid 164 and name HG12)) ( segid " " and resid 164 and name HG2%) ASSI { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.400 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.75869E-02 ppm1 0.785 ppm2 1.312 CV 1 OR { 473} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HB2 )) OR { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB2 )) ASSI { 474} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.75813E-02 ppm1 3.410 ppm2 4.413 CV 1 ASSI { 482} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HA )) 2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.73481E-02 ppm1 1.479 ppm2 4.205 CV 1 ASSI { 487} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.72899E-02 ppm1 4.414 ppm2 4.412 CV 1 ASSI { 491} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 119 and name HD2%) 2.000 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.72485E-02 ppm1 -0.190 ppm2 0.452 CV 1 ASSI { 493} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.71626E-02 ppm1 1.297 ppm2 1.455 CV 1 OR { 493} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG )) ASSI { 503} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.70426E-02 ppm1 0.401 ppm2 1.256 CV 1 ASSI { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD1%) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.70097E-02 ppm1 1.480 ppm2 0.787 CV 1 OR { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD2%) ASSI { 508} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.68925E-02 ppm1 2.972 ppm2 4.338 CV 1 ASSI { 510} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.600 2.600 3.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.68836E-02 ppm1 0.714 ppm2 1.405 CV 1 ASSI { 511} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB2 )) 2.600 2.600 3.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.68700E-02 ppm1 1.098 ppm2 1.965 CV 1 ASSI { 519} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.67456E-02 ppm1 2.712 ppm2 4.477 CV 1 ASSI { 521} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.67399E-02 ppm1 1.093 ppm2 5.448 CV 1 ASSI { 527} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 2.100 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.66123E-02 ppm1 4.414 ppm2 3.407 CV 1 ASSI { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG3 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.65710E-02 ppm1 2.807 ppm2 1.256 CV 1 OR { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB3 )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.64517E-02 ppm1 4.453 ppm2 1.499 CV 1 OR { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD2%) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.64301E-02 ppm1 1.600 ppm2 0.790 CV 1 OR { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD1%) ASSI { 540} (( segid " " and resid 128 and name HA )) ( segid " " and resid 127 and name HG2%) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.63883E-02 ppm1 4.178 ppm2 0.743 CV 1 ASSI { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD2%) 2.300 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.63217E-02 ppm1 1.428 ppm2 0.830 CV 1 OR { 548} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD1%) ASSI { 553} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.62490E-02 ppm1 1.774 ppm2 4.256 CV 1 ASSI { 557} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.62185E-02 ppm1 0.770 ppm2 4.010 CV 1 ASSI { 565} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.60246E-02 ppm1 1.767 ppm2 4.009 CV 1 ASSI { 570} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.300 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.59616E-02 ppm1 1.687 ppm2 4.563 CV 1 OR { 570} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) ASSI { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD2%) 2.600 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.59524E-02 ppm1 3.918 ppm2 0.791 CV 1 OR { 571} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 110 and name HD2%) OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD1%) ASSI { 573} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG13)) 2.800 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.59488E-02 ppm1 0.755 ppm2 1.572 CV 1 ASSI { 578} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HG12)) 1.900 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.57975E-02 ppm1 1.087 ppm2 0.475 CV 1 ASSI { 581} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG2 )) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.57858E-02 ppm1 2.980 ppm2 1.243 CV 1 OR { 581} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) 2.500 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.57573E-02 ppm1 1.687 ppm2 1.542 CV 1 OR { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) OR { 585} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 597} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HA )) 2.500 0.800 0.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.56024E-02 ppm1 2.804 ppm2 4.665 CV 1 ASSI { 598} (( segid " " and resid 127 and name HB )) ( segid " " and resid 127 and name HG1%) 2.100 0.500 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.55919E-02 ppm1 1.941 ppm2 1.131 CV 1 ASSI { 605} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HG2 )) 2.000 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.54920E-02 ppm1 2.459 ppm2 1.887 CV 1 ASSI { 608} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.54169E-02 ppm1 5.016 ppm2 0.819 CV 1 ASSI { 612} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG3 )) 2.600 2.600 3.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.11828E-01 ppm1 0.690 ppm2 2.367 CV 1 ASSI { 616} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB3 )) 2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.53049E-02 ppm1 2.504 ppm2 2.199 CV 1 ASSI { 618} (( segid " " and resid 139 and name HA )) (( segid " " and resid 144 and name HA )) 1.900 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.52584E-02 ppm1 5.024 ppm2 5.450 CV 1 ASSI { 619} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB3 )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.52532E-02 ppm1 4.046 ppm2 1.999 CV 1 ASSI { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11682E-01 ppm1 1.686 ppm2 1.256 CV 1 OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB3 )) 2.400 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.52243E-02 ppm1 1.889 ppm2 1.743 CV 1 OR { 623} (( segid " " and resid 128 and name HB )) (( segid " " and resid 137 and name HB2 )) ASSI { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HD1%) 2.500 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.52006E-02 ppm1 3.746 ppm2 0.657 CV 1 OR { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 629} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 3.000 3.000 3.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.51484E-02 ppm1 4.661 ppm2 4.657 CV 1 ASSI { 630} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 158 and name HA )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.51404E-02 ppm1 2.178 ppm2 4.257 CV 1 OR { 630} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) ASSI { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.51030E-02 ppm1 1.334 ppm2 0.758 CV 1 OR { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HG2%) ASSI { 635} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.50882E-02 ppm1 0.658 ppm2 5.034 CV 1 ASSI { 636} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 106 and name HB% ) 2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.50789E-02 ppm1 1.261 ppm2 0.844 CV 1 OR { 636} (( segid " " and resid 153 and name HG3 )) ( segid " " and resid 106 and name HB% ) ASSI { 637} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HA )) 2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.50781E-02 ppm1 5.170 ppm2 5.858 CV 1 ASSI { 638} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 125 and name HB )) 2.800 2.800 3.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.50741E-02 ppm1 1.599 ppm2 1.300 CV 1 ASSI { 642} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.50420E-02 ppm1 0.449 ppm2 4.651 CV 1 ASSI { 654} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.49192E-02 ppm1 2.253 ppm2 4.545 CV 1 ASSI { 655} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.49047E-02 ppm1 1.913 ppm2 2.322 CV 1 ASSI { 656} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 145 and name HA2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.48963E-02 ppm1 3.813 ppm2 4.418 CV 1 ASSI { 657} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HB )) 2.000 0.500 0.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.48891E-02 ppm1 0.869 ppm2 2.147 CV 1 ASSI { 658} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.600 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.48871E-02 ppm1 4.400 ppm2 1.618 CV 1 ASSI { 660} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG12)) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.48819E-02 ppm1 0.718 ppm2 1.112 CV 1 ASSI { 661} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG3 )) 2.900 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.48782E-02 ppm1 2.979 ppm2 1.417 CV 1 OR { 661} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG3 )) ASSI { 664} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.48650E-02 ppm1 4.045 ppm2 1.954 CV 1 ASSI { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) 3.200 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 4.823 ppm2 0.722 CV 1 ASSI { 670} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG3 )) 2.200 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.47943E-02 ppm1 2.081 ppm2 2.359 CV 1 ASSI { 671} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 2.600 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.47831E-02 ppm1 2.627 ppm2 4.494 CV 1 ASSI { 673} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.47771E-02 ppm1 0.754 ppm2 4.122 CV 1 ASSI { 676} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 127 and name HG1%) 2.200 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.47606E-02 ppm1 0.401 ppm2 1.131 CV 1 ASSI { 677} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.47530E-02 ppm1 3.913 ppm2 4.545 CV 1 OR { 677} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HA )) ASSI { 678} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.47490E-02 ppm1 1.997 ppm2 4.546 CV 1 ASSI { 683} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 125 and name HD1%) 2.200 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.46743E-02 ppm1 1.086 ppm2 -0.190 CV 1 ASSI { 684} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG3 )) 2.600 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.46739E-02 ppm1 1.910 ppm2 2.360 CV 1 ASSI { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.400 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.46731E-02 ppm1 4.773 ppm2 1.935 CV 1 OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 686} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG12)) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.46699E-02 ppm1 0.770 ppm2 1.050 CV 1 ASSI { 692} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.500 0.800 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.46057E-02 ppm1 4.186 ppm2 2.196 CV 1 ASSI { 693} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.700 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.46033E-02 ppm1 2.710 ppm2 4.337 CV 1 ASSI { 698} (( segid " " and resid 107 and name HA )) ( segid " " and resid 121 and name HG1%) 2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.45784E-02 ppm1 4.534 ppm2 0.786 CV 1 ASSI { 701} (( segid " " and resid 154 and name HA )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.45708E-02 ppm1 4.337 ppm2 5.000 CV 1 ASSI { 704} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 2.169 ppm2 4.158 CV 1 OR { 704} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) ASSI { 706} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG2 )) 2.500 2.500 3.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11828E-01 ppm1 0.690 ppm2 2.327 CV 1 ASSI { 709} (( segid " " and resid 153 and name HD3 )) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.45065E-02 ppm1 1.555 ppm2 0.845 CV 1 ASSI { 710} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) 2.600 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.44740E-02 ppm1 0.754 ppm2 4.817 CV 1 ASSI { 713} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 144 and name HA )) 3.300 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.44640E-02 ppm1 0.824 ppm2 5.448 CV 1 ASSI { 714} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.44572E-02 ppm1 0.400 ppm2 4.272 CV 1 ASSI { 715} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 105 and name HG1%) 3.100 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.44395E-02 ppm1 0.662 ppm2 0.858 CV 1 ASSI { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HG )) 2.700 0.900 0.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.44375E-02 ppm1 1.707 ppm2 1.505 CV 1 OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HG )) OR { 716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 155 and name HB2 )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB3 )) OR { 716} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 155 and name HB2 )) ASSI { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG2 )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.43970E-02 ppm1 0.838 ppm2 2.150 CV 1 OR { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG3 )) ASSI { 723} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.43620E-02 ppm1 4.665 ppm2 2.658 CV 1 ASSI { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG2%) 2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.43307E-02 ppm1 5.038 ppm2 0.657 CV 1 OR { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HD1%) ASSI { 728} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 141 and name HB2 )) 2.000 2.000 4.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.43050E-02 ppm1 2.979 ppm2 2.754 CV 1 OR { 728} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 141 and name HB2 )) ASSI { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.42922E-02 ppm1 0.450 ppm2 0.676 CV 1 OR { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD2%) ASSI { 731} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.42649E-02 ppm1 0.717 ppm2 1.773 CV 1 ASSI { 733} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.42597E-02 ppm1 0.657 ppm2 1.797 CV 1 ASSI { 736} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.600 0.900 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.42396E-02 ppm1 4.706 ppm2 2.664 CV 1 ASSI { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.800 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.42167E-02 ppm1 4.823 ppm2 0.752 CV 1 OR { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 742} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HA )) 2.600 0.900 0.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.41762E-02 ppm1 1.597 ppm2 4.205 CV 1 ASSI { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD3 )) 2.600 0.900 0.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.41706E-02 ppm1 0.839 ppm2 1.542 CV 1 OR { 746} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HD2 )) ASSI { 751} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 106 and name HA )) 3.100 3.100 2.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.41577E-02 ppm1 0.780 ppm2 4.204 CV 1 ASSI { 752} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.41561E-02 ppm1 0.869 ppm2 3.738 CV 1 ASSI { 753} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.41549E-02 ppm1 2.505 ppm2 1.988 CV 1 ASSI { 754} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HA )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.41521E-02 ppm1 5.384 ppm2 4.818 CV 1 ASSI { 756} (( segid " " and resid 106 and name HA )) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.41441E-02 ppm1 4.184 ppm2 0.706 CV 1 ASSI { 757} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG13)) 2.600 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.41393E-02 ppm1 1.767 ppm2 1.325 CV 1 ASSI { 758} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) 2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.41377E-02 ppm1 1.261 ppm2 -0.191 CV 1 ASSI { 762} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HD1%) 1.800 0.400 0.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12155E-01 ppm1 1.169 ppm2 -0.190 CV 1 ASSI { 767} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.300 0.700 0.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.40582E-02 ppm1 1.501 ppm2 2.962 CV 1 ASSI { 770} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.500 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.39877E-02 ppm1 2.448 ppm2 1.996 CV 1 ASSI { 773} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.39704E-02 ppm1 0.821 ppm2 1.155 CV 1 OR { 773} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 787} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.600 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.38808E-02 ppm1 4.412 ppm2 1.754 CV 1 ASSI { 790} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HA )) 3.200 3.200 2.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.38338E-02 ppm1 4.539 ppm2 4.766 CV 1 ASSI { 791} (( segid " " and resid 132 and name HA )) (( segid " " and resid 130 and name HA )) 2.900 2.900 3.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 4.537 ppm2 4.309 CV 1 ASSI { 796} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HA )) 2.000 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.37808E-02 ppm1 4.773 ppm2 5.346 CV 1 ASSI { 799} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 3.200 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 4.185 ppm2 2.317 CV 1 ASSI { 802} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.37619E-02 ppm1 2.198 ppm2 2.315 CV 1 ASSI { 803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) 2.300 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.37542E-02 ppm1 0.482 ppm2 -0.191 CV 1 ASSI { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD3 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.37440E-02 ppm1 4.661 ppm2 3.607 CV 1 OR { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) 2.600 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.37405E-02 ppm1 1.687 ppm2 1.988 CV 1 OR { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 809} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) 2.300 0.700 0.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.37268E-02 ppm1 2.282 ppm2 2.902 CV 1 ASSI { 815} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG12)) 2.600 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.36958E-02 ppm1 0.754 ppm2 1.112 CV 1 ASSI { 821} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HB3 )) 2.600 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.36596E-02 ppm1 2.523 ppm2 2.058 CV 1 ASSI { 826} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 4.707 ppm2 2.795 CV 1 ASSI { 827} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.36135E-02 ppm1 1.845 ppm2 4.590 CV 1 ASSI { 831} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.35822E-02 ppm1 0.836 ppm2 0.402 CV 1 ASSI { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HD1%) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.35669E-02 ppm1 1.301 ppm2 0.676 CV 1 OR { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) ASSI { 837} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HA )) 2.000 0.500 0.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.35541E-02 ppm1 3.746 ppm2 5.035 CV 1 ASSI { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 1.182 ppm2 0.636 CV 1 OR { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG3 )) ASSI { 840} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HG2%) 2.300 2.300 3.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12155E-01 ppm1 1.756 ppm2 0.396 CV 1 ASSI { 844} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.35012E-02 ppm1 1.933 ppm2 4.765 CV 1 OR { 844} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 846} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HD1%) 2.500 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12155E-01 ppm1 1.750 ppm2 -0.185 CV 1 ASSI { 851} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HD1%) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.34628E-02 ppm1 0.659 ppm2 -0.191 CV 1 ASSI { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HD1%) 2.200 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.34573E-02 ppm1 1.804 ppm2 0.658 CV 1 OR { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) ASSI { 853} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 162 and name HB3 )) 2.800 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.34566E-02 ppm1 0.730 ppm2 1.598 CV 1 ASSI { 856} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.34262E-02 ppm1 2.080 ppm2 4.328 CV 1 ASSI { 857} (( segid " " and resid 143 and name HE2 )) ( segid " " and resid 139 and name HG2%) 2.000 2.000 4.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.34242E-02 ppm1 2.978 ppm2 0.722 CV 1 OR { 857} (( segid " " and resid 143 and name HE3 )) ( segid " " and resid 139 and name HG2%) ASSI { 860} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 152 and name HD1%) 2.100 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.34102E-02 ppm1 2.597 ppm2 0.679 CV 1 ASSI { 863} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.34033E-02 ppm1 3.939 ppm2 5.448 CV 1 ASSI { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD2 )) 2.000 2.000 4.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.33952E-02 ppm1 2.980 ppm2 3.631 CV 1 OR { 865} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 868} (( segid " " and resid 135 and name HA )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.33878E-02 ppm1 4.778 ppm2 3.680 CV 1 ASSI { 877} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.33368E-02 ppm1 4.398 ppm2 2.330 CV 1 ASSI { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG3 )) 2.200 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.33287E-02 ppm1 0.045 ppm2 0.645 CV 1 OR { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 879} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.33283E-02 ppm1 1.696 ppm2 2.875 CV 1 ASSI { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG2 )) 3.000 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.33154E-02 ppm1 4.551 ppm2 2.150 CV 1 OR { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) ASSI { 886} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.33079E-02 ppm1 2.735 ppm2 2.324 CV 1 ASSI { 889} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.600 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.32909E-02 ppm1 1.910 ppm2 4.326 CV 1 ASSI { 893} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.300 0.700 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.32771E-02 ppm1 2.942 ppm2 5.005 CV 1 ASSI { 896} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG13)) 2.900 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 0.770 ppm2 1.326 CV 1 ASSI { 900} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.32540E-02 ppm1 0.482 ppm2 0.399 CV 1 ASSI { 901} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) 3.000 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.32520E-02 ppm1 4.011 ppm2 0.727 CV 1 ASSI { 905} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HG13)) 2.600 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.32323E-02 ppm1 0.401 ppm2 1.087 CV 1 ASSI { 909} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.32122E-02 ppm1 4.340 ppm2 4.566 CV 1 ASSI { 912} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HB3 )) 4.000 2.000 2.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.32031E-02 ppm1 0.826 ppm2 2.044 CV 1 ASSI { 913} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 138 and name HA2 )) 2.100 0.500 0.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.32007E-02 ppm1 3.843 ppm2 5.218 CV 1 ASSI { 914} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.100 2.100 3.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.12155E-01 ppm1 1.166 ppm2 4.276 CV 1 ASSI { 915} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HB2 )) 2.200 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 2.171 ppm2 1.858 CV 1 OR { 915} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HB2 )) ASSI { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) 2.800 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.31494E-02 ppm1 4.524 ppm2 1.938 CV 1 OR { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) ASSI { 923} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 144 and name HA )) 2.700 0.900 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.31444E-02 ppm1 0.704 ppm2 5.449 CV 1 ASSI { 924} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.31349E-02 ppm1 4.543 ppm2 1.596 CV 1 ASSI { 925} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.800 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.31323E-02 ppm1 0.730 ppm2 1.761 CV 1 ASSI { 930} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 1.255 ppm2 1.414 CV 1 ASSI { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) 2.700 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.31066E-02 ppm1 5.382 ppm2 1.986 CV 1 OR { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 936} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 4.284 ppm2 5.203 CV 1 ASSI { 940} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 146 and name HB3 )) 3.300 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 1.731 ppm2 2.051 CV 1 OR { 940} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 146 and name HB3 )) ASSI { 944} (( segid " " and resid 156 and name HA )) (( segid " " and resid 129 and name HA2 )) 2.900 2.900 3.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.30172E-02 ppm1 4.438 ppm2 3.998 CV 1 ASSI { 949} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.29935E-02 ppm1 0.689 ppm2 1.446 CV 1 ASSI { 958} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HB2 )) 3.100 1.200 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.29586E-02 ppm1 1.510 ppm2 1.933 CV 1 ASSI { 959} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.600 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.29533E-02 ppm1 2.597 ppm2 5.003 CV 1 ASSI { 965} (( segid " " and resid 106 and name HA )) ( segid " " and resid 121 and name HG1%) 2.900 2.900 3.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.29371E-02 ppm1 4.178 ppm2 0.792 CV 1 ASSI { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD2%) 2.600 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.28870E-02 ppm1 1.746 ppm2 0.849 CV 1 OR { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD1%) ASSI { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA1 )) 3.000 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.28702E-02 ppm1 4.225 ppm2 3.819 CV 1 OR { 982} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA2 )) ASSI { 983} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 152 and name HD1%) 3.500 1.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.28687E-02 ppm1 2.942 ppm2 0.678 CV 1 ASSI { 994} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.100 0.600 0.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.28143E-02 ppm1 1.743 ppm2 1.159 CV 1 ASSI { 1001} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 137 and name HG3 )) 3.400 1.400 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.27886E-02 ppm1 1.973 ppm2 2.427 CV 1 ASSI { 1009} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 145 and name HA2 )) 3.000 3.000 3.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 1.726 ppm2 4.445 CV 1 OR { 1009} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 145 and name HA2 )) ASSI { 1010} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 123 and name HA )) 2.800 2.800 3.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.27563E-02 ppm1 1.529 ppm2 4.392 CV 1 ASSI { 1011} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) 3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.27556E-02 ppm1 1.294 ppm2 4.658 CV 1 OR { 1011} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 1013} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.27544E-02 ppm1 0.844 ppm2 6.906 CV 1 ASSI { 1017} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 2.324 ppm2 2.081 CV 1 OR { 1017} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 1019} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.300 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 1.252 ppm2 1.837 CV 1 ASSI { 1023} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.200 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.27041E-02 ppm1 0.653 ppm2 0.040 CV 1 ASSI { 1025} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.26997E-02 ppm1 5.345 ppm2 1.598 CV 1 ASSI { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.26797E-02 ppm1 4.352 ppm2 0.686 CV 1 OR { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) ASSI { 1032} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 109 and name HA )) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.26737E-02 ppm1 3.610 ppm2 4.659 CV 1 OR { 1032} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 109 and name HA )) ASSI { 1035} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.26623E-02 ppm1 2.503 ppm2 4.184 CV 1 ASSI { 1037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG13)) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.26584E-02 ppm1 1.262 ppm2 1.081 CV 1 ASSI { 1043} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.500 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.26461E-02 ppm1 5.171 ppm2 2.055 CV 1 ASSI { 1047} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 136 and name HA )) 2.700 0.900 0.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.26314E-02 ppm1 0.821 ppm2 5.197 CV 1 ASSI { 1049} (( segid " " and resid 159 and name HB3 )) (( segid " " and resid 161 and name HB3 )) 3.000 3.000 3.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.26217E-02 ppm1 3.778 ppm2 2.016 CV 1 OR { 1049} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 161 and name HB3 )) ASSI { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.800 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.25480E-02 ppm1 5.004 ppm2 1.496 CV 1 OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HG )) OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 1079} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 2.200 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 2.652 ppm2 2.826 CV 1 ASSI { 1080} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.25302E-02 ppm1 2.886 ppm2 1.754 CV 1 OR { 1080} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB3 )) ASSI { 1081} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 139 and name HG2%) 3.300 3.300 2.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.25107E-02 ppm1 1.246 ppm2 0.723 CV 1 ASSI { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.200 1.300 1.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.25088E-02 ppm1 2.333 ppm2 0.821 CV 1 ASSI { 1089} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.24907E-02 ppm1 4.400 ppm2 2.732 CV 1 ASSI { 1090} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HA )) 3.200 1.300 1.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.24864E-02 ppm1 1.053 ppm2 4.009 CV 1 ASSI { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG3 )) 2.100 2.100 3.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.24628E-02 ppm1 0.715 ppm2 1.987 CV 1 OR { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG2 )) ASSI { 1099} (( segid " " and resid 108 and name HA )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.24446E-02 ppm1 4.082 ppm2 4.544 CV 1 ASSI { 1101} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.600 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.24363E-02 ppm1 0.674 ppm2 -0.190 CV 1 ASSI { 1104} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.24211E-02 ppm1 4.173 ppm2 1.871 CV 1 ASSI { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.400 1.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.23927E-02 ppm1 1.254 ppm2 0.722 CV 1 ASSI { 1111} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 1.422 ppm2 4.588 CV 1 ASSI { 1112} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 127 and name HG2%) 3.500 1.500 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.23800E-02 ppm1 5.223 ppm2 0.739 CV 1 ASSI { 1115} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.23729E-02 ppm1 0.659 ppm2 6.853 CV 1 ASSI { 1116} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HG2 )) 3.400 1.400 1.400 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 3.610 ppm2 1.967 CV 1 OR { 1116} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HG2 )) ASSI { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD1%) 3.600 1.700 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.23417E-02 ppm1 5.003 ppm2 0.722 CV 1 ASSI { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.800 0.900 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.23414E-02 ppm1 1.256 ppm2 0.677 CV 1 OR { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1123} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.23384E-02 ppm1 0.717 ppm2 5.377 CV 1 ASSI { 1139} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HB3 )) 2.300 0.700 0.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.23077E-02 ppm1 1.930 ppm2 2.870 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HB2 )) 2.400 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 3.721 ppm2 2.887 CV 1 ASSI { 1142} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.600 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 5.208 ppm2 7.057 CV 1 ASSI { 1148} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.22902E-02 ppm1 0.743 ppm2 1.181 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 125 and name HG2%) 4.100 2.100 1.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.22881E-02 ppm1 3.844 ppm2 0.397 CV 1 ASSI { 1161} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 143 and name HG2 )) 2.600 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.22548E-02 ppm1 1.256 ppm2 1.245 CV 1 ASSI { 1162} ( segid " " and resid 162 and name HD1%) (( segid " " and resid 161 and name HB2 )) 2.200 2.200 3.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 0.750 ppm2 1.893 CV 1 OR { 1162} ( segid " " and resid 162 and name HD2%) (( segid " " and resid 161 and name HB2 )) ASSI { 1166} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.22422E-02 ppm1 1.774 ppm2 1.112 CV 1 ASSI { 1170} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 127 and name HG1%) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.22307E-02 ppm1 0.860 ppm2 1.127 CV 1 ASSI { 1179} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 1.260 ppm2 4.272 CV 1 ASSI { 1181} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.900 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.21962E-02 ppm1 1.424 ppm2 1.837 CV 1 ASSI { 1185} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.21799E-02 ppm1 2.196 ppm2 4.767 CV 1 ASSI { 1188} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.700 3.700 2.300 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.21752E-02 ppm1 0.746 ppm2 2.049 CV 1 ASSI { 1194} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 139 and name HG1%) 3.000 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 1.932 ppm2 0.818 CV 1 OR { 1194} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 139 and name HG1%) ASSI { 1210} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 1.956 ppm2 4.766 CV 1 ASSI { 1213} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB3 )) 3.800 3.800 2.200 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.21211E-02 ppm1 5.009 ppm2 2.617 CV 1 ASSI { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB2 )) 3.400 1.500 1.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.21189E-02 ppm1 2.575 ppm2 1.741 CV 1 OR { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 1217} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 3.961 ppm2 1.885 CV 1 ASSI { 1222} (( segid " " and resid 119 and name HA )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 4.655 ppm2 0.725 CV 1 ASSI { 1232} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.200 2.200 3.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.20685E-02 ppm1 0.659 ppm2 0.399 CV 1 ASSI { 1233} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.20672E-02 ppm1 1.424 ppm2 0.721 CV 1 ASSI { 1239} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.20577E-02 ppm1 2.901 ppm2 4.534 CV 1 ASSI { 1240} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HA1 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.20575E-02 ppm1 0.704 ppm2 3.468 CV 1 ASSI { 1241} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.20525E-02 ppm1 4.369 ppm2 2.195 CV 1 ASSI { 1243} (( segid " " and resid 161 and name HA )) ( segid " " and resid 164 and name HD1%) 3.200 1.300 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.20483E-02 ppm1 4.133 ppm2 0.731 CV 1 ASSI { 1245} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 1.759 ppm2 4.544 CV 1 ASSI { 1249} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.200 3.200 2.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.20341E-02 ppm1 1.092 ppm2 2.055 CV 1 ASSI { 1251} (( segid " " and resid 132 and name HA )) (( segid " " and resid 136 and name HA )) 3.600 1.700 1.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.20325E-02 ppm1 4.536 ppm2 5.198 CV 1 ASSI { 1252} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 4.656 ppm2 1.159 CV 1 ASSI { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.20225E-02 ppm1 5.170 ppm2 1.740 CV 1 OR { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 1255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.20172E-02 ppm1 4.274 ppm2 7.057 CV 1 ASSI { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD2 )) 3.000 3.000 3.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 1.555 ppm2 1.546 CV 1 OR { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD3 )) ASSI { 1259} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB3 )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.20112E-02 ppm1 0.632 ppm2 1.178 CV 1 ASSI { 1263} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB2 )) 3.000 1.100 1.100 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 2.188 ppm2 1.607 CV 1 ASSI { 1264} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.19910E-02 ppm1 4.362 ppm2 1.974 CV 1 ASSI { 1266} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA2 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.19890E-02 ppm1 0.716 ppm2 4.451 CV 1 ASSI { 1270} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 140 and name HB2 )) 3.400 3.400 2.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.19820E-02 ppm1 2.884 ppm2 1.144 CV 1 OR { 1270} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1283} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB )) 2.500 0.800 0.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.19495E-02 ppm1 0.687 ppm2 1.804 CV 1 ASSI { 1285} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 105 and name HB )) 3.400 1.500 1.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.19429E-02 ppm1 2.795 ppm2 2.150 CV 1 ASSI { 1286} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 139 and name HA )) 3.400 1.400 1.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 1.093 ppm2 5.020 CV 1 ASSI { 1290} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.19324E-02 ppm1 0.863 ppm2 1.618 CV 1 ASSI { 1291} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HD% ) 3.200 1.300 1.300 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.19322E-02 ppm1 1.132 ppm2 6.857 CV 1 ASSI { 1296} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.600 1.600 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 0.402 ppm2 6.856 CV 1 ASSI { 1310} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.18899E-02 ppm1 0.715 ppm2 1.675 CV 1 ASSI { 1312} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.18848E-02 ppm1 5.383 ppm2 1.675 CV 1 ASSI { 1314} (( segid " " and resid 164 and name HG13)) (( segid " " and resid 164 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.18802E-02 ppm1 1.334 ppm2 4.009 CV 1 ASSI { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD1%) 3.600 1.600 1.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.18764E-02 ppm1 0.480 ppm2 0.821 CV 1 OR { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD2%) ASSI { 1321} (( segid " " and resid 125 and name HB )) ( segid " " and resid 127 and name HG1%) 2.800 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.18590E-02 ppm1 1.264 ppm2 1.129 CV 1 ASSI { 1322} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD2%) 2.300 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.18589E-02 ppm1 1.836 ppm2 0.449 CV 1 ASSI { 1323} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.700 1.700 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.18587E-02 ppm1 2.158 ppm2 2.829 CV 1 OR { 1323} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 1326} (( segid " " and resid 105 and name HB )) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.18537E-02 ppm1 2.155 ppm2 2.875 CV 1 ASSI { 1329} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 3.677 ppm2 0.634 CV 1 ASSI { 1343} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 2.900 1.000 1.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 1.431 ppm2 1.160 CV 1 ASSI { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD1%) 3.700 1.700 1.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 1.084 ppm2 0.820 CV 1 OR { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD2%) ASSI { 1349} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.18193E-02 ppm1 5.038 ppm2 1.795 CV 1 ASSI { 1356} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.18088E-02 ppm1 3.607 ppm2 4.543 CV 1 OR { 1356} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HA )) ASSI { 1357} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 1.574 ppm2 4.561 CV 1 OR { 1357} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) ASSI { 1360} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HA )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 0.690 ppm2 4.566 CV 1 ASSI { 1362} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 5.382 ppm2 1.792 CV 1 ASSI { 1363} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 119 and name HD2%) 2.300 2.300 3.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.17940E-02 ppm1 0.657 ppm2 0.447 CV 1 ASSI { 1374} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.400 2.400 3.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.17730E-02 ppm1 5.166 ppm2 1.966 CV 1 ASSI { 1390} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 1.857 ppm2 5.020 CV 1 ASSI { 1396} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HA )) 3.000 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.17296E-02 ppm1 1.776 ppm2 4.817 CV 1 ASSI { 1400} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.17248E-02 ppm1 4.661 ppm2 2.856 CV 1 ASSI { 1403} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 0.742 ppm2 1.609 CV 1 ASSI { 1408} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.17145E-02 ppm1 1.485 ppm2 5.006 CV 1 ASSI { 1409} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB3 )) 3.100 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.17103E-02 ppm1 4.657 ppm2 1.744 CV 1 ASSI { 1410} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.17101E-02 ppm1 1.747 ppm2 0.678 CV 1 ASSI { 1413} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.17038E-02 ppm1 1.984 ppm2 4.372 CV 1 ASSI { 1422} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HG2 )) 4.000 2.000 2.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.16906E-02 ppm1 0.829 ppm2 2.465 CV 1 ASSI { 1429} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB3 )) 4.000 2.000 2.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.16748E-02 ppm1 0.660 ppm2 2.952 CV 1 ASSI { 1441} (( segid " " and resid 149 and name HA )) (( segid " " and resid 105 and name HB )) 4.200 2.200 1.800 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.969 ppm2 2.139 CV 1 ASSI { 1445} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG3 )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 1.777 ppm2 2.464 CV 1 ASSI { 1447} (( segid " " and resid 125 and name HB )) ( segid " " and resid 119 and name HD2%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 1.261 ppm2 0.462 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.300 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.16422E-02 ppm1 4.536 ppm2 2.269 CV 1 ASSI { 1452} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.16337E-02 ppm1 5.859 ppm2 2.054 CV 1 ASSI { 1457} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 0.752 ppm2 6.813 CV 1 ASSI { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.500 1.500 1.500 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 5.168 ppm2 2.141 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG2 )) ASSI { 1461} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG3 )) 3.300 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 4.327 ppm2 2.361 CV 1 ASSI { 1464} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HA )) 3.500 3.500 2.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.16241E-02 ppm1 3.657 ppm2 4.515 CV 1 ASSI { 1467} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.300 2.300 3.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 0.719 ppm2 -0.157 CV 1 ASSI { 1471} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 2.984 ppm2 2.624 CV 1 ASSI { 1473} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.500 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 2.209 ppm2 2.443 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.16063E-02 ppm1 4.779 ppm2 2.828 CV 1 ASSI { 1480} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HB3 )) 3.300 1.400 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.16003E-02 ppm1 2.978 ppm2 1.849 CV 1 OR { 1480} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HB3 )) ASSI { 1482} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.300 1.400 1.400 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.15963E-02 ppm1 4.681 ppm2 2.896 CV 1 ASSI { 1488} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 146 and name HG2 )) 3.400 3.400 2.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.15830E-02 ppm1 2.016 ppm2 2.484 CV 1 ASSI { 1490} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 117 and name HD1%) 3.100 1.200 1.200 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 1.166 ppm2 0.677 CV 1 ASSI { 1498} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 0.676 ppm2 6.812 CV 1 ASSI { 1499} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 117 and name HD2%) 4.100 2.100 1.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.15722E-02 ppm1 3.833 ppm2 0.684 CV 1 ASSI { 1502} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HG )) 3.000 1.100 1.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 5.343 ppm2 1.456 CV 1 ASSI { 1508} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HB3 )) 3.800 1.800 1.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 0.840 ppm2 2.242 CV 1 ASSI { 1518} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 139 and name HG2%) 2.400 2.400 3.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.11681E-01 ppm1 1.837 ppm2 0.721 CV 1 ASSI { 1519} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 0.846 ppm2 7.102 CV 1 ASSI { 1522} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.700 1.700 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.15337E-02 ppm1 4.772 ppm2 1.603 CV 1 ASSI { 1524} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HD3 )) 3.500 1.500 1.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.15319E-02 ppm1 1.296 ppm2 3.606 CV 1 OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD3 )) OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1531} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD1%) 2.700 0.900 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 1.835 ppm2 0.751 CV 1 ASSI { 1532} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 128 and name HG1%) 3.700 1.700 1.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 1.944 ppm2 0.818 CV 1 ASSI { 1535} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HB2 )) 3.200 3.200 2.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 1.949 ppm2 1.613 CV 1 ASSI { 1541} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA2 )) 3.400 1.400 1.400 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.15110E-02 ppm1 0.401 ppm2 5.221 CV 1 ASSI { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD2 )) 3.100 1.200 1.200 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.14942E-02 ppm1 2.968 ppm2 1.549 CV 1 OR { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD3 )) ASSI { 1555} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG2 )) 2.900 1.100 1.100 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.14868E-02 ppm1 4.328 ppm2 2.323 CV 1 ASSI { 1562} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) 3.100 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.14792E-02 ppm1 0.482 ppm2 4.272 CV 1 ASSI { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD3 )) 3.200 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.14578E-02 ppm1 0.785 ppm2 3.611 CV 1 OR { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD2 )) ASSI { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE2 )) 3.400 1.500 1.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 0.843 ppm2 2.802 CV 1 OR { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE3 )) ASSI { 1580} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HA )) 3.300 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 0.701 ppm2 4.659 CV 1 ASSI { 1582} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HG3 )) 2.300 2.300 3.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.14469E-02 ppm1 1.514 ppm2 2.341 CV 1 OR { 1582} (( segid " " and resid 155 and name HG )) (( segid " " and resid 154 and name HG2 )) ASSI { 1584} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HG3 )) 2.700 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 1.993 ppm2 2.563 CV 1 ASSI { 1585} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HB )) 2.900 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 0.485 ppm2 1.255 CV 1 ASSI { 1586} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) 3.200 1.300 1.300 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 0.705 ppm2 4.539 CV 1 ASSI { 1594} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 130 and name HA )) 3.200 1.300 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 0.818 ppm2 4.282 CV 1 ASSI { 1599} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.14281E-02 ppm1 1.087 ppm2 4.270 CV 1 ASSI { 1613} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.14092E-02 ppm1 1.133 ppm2 5.345 CV 1 ASSI { 1617} (( segid " " and resid 127 and name HA )) (( segid " " and resid 138 and name HA2 )) 2.000 0.500 0.500 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13979E-02 ppm1 4.132 ppm2 5.226 CV 1 ASSI { 1619} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HG12)) 2.100 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 5.383 ppm2 1.102 CV 1 ASSI { 1622} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HB2 )) 3.400 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 0.450 ppm2 1.617 CV 1 ASSI { 1630} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.13887E-02 ppm1 4.775 ppm2 2.638 CV 1 ASSI { 1631} (( segid " " and resid 105 and name HA )) ( segid " " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 3.750 ppm2 0.773 CV 1 ASSI { 1633} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 125 and name HG2%) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 0.756 ppm2 0.412 CV 1 ASSI { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 3.000 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 4.658 ppm2 1.317 CV 1 OR { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) ASSI { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE2 )) 2.100 0.500 0.500 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.11681E-01 ppm1 1.716 ppm2 2.976 CV 1 OR { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE3 )) ASSI { 1658} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ2 )) 3.300 3.300 2.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.13586E-02 ppm1 0.756 ppm2 7.382 CV 1 ASSI { 1669} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.900 1.100 1.100 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.13512E-02 ppm1 5.343 ppm2 1.680 CV 1 ASSI { 1689} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 151 and name HA )) 3.200 3.200 2.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 0.841 ppm2 4.677 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 1.182 ppm2 3.676 CV 1 ASSI { 1722} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 154 and name HA )) 3.700 1.800 1.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 2.940 ppm2 4.327 CV 1 ASSI { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB3 )) 3.900 1.900 1.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 2.476 ppm2 1.742 CV 1 ASSI { 1731} (( segid " " and resid 126 and name HA )) (( segid " " and resid 155 and name HG )) 3.400 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.12726E-02 ppm1 4.770 ppm2 1.461 CV 1 ASSI { 1732} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.12722E-02 ppm1 0.654 ppm2 1.180 CV 1 ASSI { 1736} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 1.428 ppm2 4.656 CV 1 ASSI { 1757} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.12492E-02 ppm1 1.908 ppm2 4.541 CV 1 ASSI { 1760} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HB3 )) 3.600 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.12399E-02 ppm1 3.813 ppm2 1.405 CV 1 ASSI { 1761} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HA )) 3.600 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 0.399 ppm2 4.126 CV 1 ASSI { 1763} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB )) 2.800 1.000 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 4.127 ppm2 1.934 CV 1 ASSI { 1767} (( segid " " and resid 140 and name HA )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 4.658 ppm2 4.273 CV 1 ASSI { 1769} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.12297E-02 ppm1 1.915 ppm2 5.168 CV 1 ASSI { 1778} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG13)) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 2.971 ppm2 1.451 CV 1 ASSI { 1782} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.12136E-02 ppm1 2.854 ppm2 2.480 CV 1 ASSI { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 3.800 1.800 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 2.623 ppm2 2.150 CV 1 OR { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 1804} (( segid " " and resid 146 and name HG3 )) ( segid " " and resid 128 and name HG1%) 2.400 2.400 3.600 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.11957E-02 ppm1 2.582 ppm2 0.818 CV 1 ASSI { 1805} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HA )) 3.900 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.11941E-02 ppm1 2.880 ppm2 4.549 CV 1 OR { 1805} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HA )) ASSI { 1817} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) 2.700 0.900 0.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 5.383 ppm2 0.857 CV 1 ASSI { 1820} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 2.900 1.100 1.100 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 2.972 ppm2 0.678 CV 1 ASSI { 1822} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.200 1.200 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.11774E-02 ppm1 2.860 ppm2 0.757 CV 1 ASSI { 1829} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 124 and name HG13)) 3.400 1.400 1.400 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.11715E-02 ppm1 1.987 ppm2 1.560 CV 1 OR { 1829} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 124 and name HG13)) ASSI { 1853} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.900 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 5.861 ppm2 1.972 CV 1 ASSI { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG2 )) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 4.660 ppm2 1.974 CV 1 ASSI { 1864} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 1.747 ppm2 0.716 CV 1 ASSI { 1865} (( segid " " and resid 154 and name HA )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 4.328 ppm2 0.684 CV 1 ASSI { 1866} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.900 1.900 1.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 2.595 ppm2 4.327 CV 1 ASSI { 1874} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.11366E-02 ppm1 2.003 ppm2 0.753 CV 1 ASSI { 1884} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 1.511 ppm2 5.008 CV 1 OR { 1884} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 103 and name HA )) ASSI { 1889} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 125 and name HD1%) 3.600 1.600 1.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 0.690 ppm2 -0.191 CV 1 ASSI { 1903} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 4.661 ppm2 2.480 CV 1 ASSI { 1904} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.800 1.800 1.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 0.737 ppm2 6.855 CV 1 ASSI { 1910} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HG )) 3.000 1.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 2.710 ppm2 1.423 CV 1 ASSI { 1913} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 0.659 ppm2 2.600 CV 1 ASSI { 1914} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HB2 )) 2.400 2.400 3.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 1.569 ppm2 1.942 CV 1 OR { 1914} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 1921} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 149 and name HB3 )) 2.500 2.500 3.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 1.554 ppm2 2.199 CV 1 OR { 1921} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 149 and name HB3 )) ASSI { 1926} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 119 and name HD2%) 4.300 2.300 1.700 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.10920E-02 ppm1 1.428 ppm2 0.451 CV 1 ASSI { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD2 )) 3.700 1.700 1.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.10858E-02 ppm1 0.689 ppm2 1.549 CV 1 OR { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD3 )) ASSI { 1956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB3 )) 3.100 1.200 1.200 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10762E-02 ppm1 4.688 ppm2 3.724 CV 1 ASSI { 1965} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 159 and name HA )) 4.200 2.200 1.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 2.169 ppm2 4.368 CV 1 OR { 1965} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 159 and name HA )) ASSI { 1971} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 141 and name HA )) 4.000 2.000 2.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 0.825 ppm2 4.341 CV 1 ASSI { 1972} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.200 1.200 1.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.10602E-02 ppm1 2.899 ppm2 4.675 CV 1 ASSI { 1981} (( segid " " and resid 105 and name HB )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 2.172 ppm2 1.842 CV 1 ASSI { 1989} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 3.400 1.500 1.500 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.10487E-02 ppm1 2.197 ppm2 1.676 CV 1 ASSI { 1993} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.800 1.800 1.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.10470E-02 ppm1 1.716 ppm2 0.722 CV 1 ASSI { 2014} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 129 and name HN )) 4.600 2.700 1.400 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 1.130 ppm2 7.491 CV 1 ASSI { 2015} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 109 and name HE% ) 5.100 3.200 0.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 3.842 ppm2 6.860 CV 1 ASSI { 2021} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 2.876 ppm2 5.202 CV 1 ASSI { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD2 )) 3.300 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 2.464 ppm2 3.612 CV 1 OR { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2028} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.11555E-01 ppm1 1.129 ppm2 4.122 CV 1 ASSI { 2032} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.800 1.000 1.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 2.157 ppm2 3.740 CV 1 ASSI { 2043} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 130 and name HB2 )) 3.100 1.200 1.200 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 3.812 ppm2 1.499 CV 1 OR { 2043} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 130 and name HB2 )) ASSI { 2063} (( segid " " and resid 160 and name HB3 )) ( segid " " and resid 164 and name HD1%) 3.400 1.400 1.400 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 2.601 ppm2 0.730 CV 1 OR { 2063} (( segid " " and resid 160 and name HB2 )) ( segid " " and resid 164 and name HD1%) ASSI { 2066} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.500 2.500 3.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 0.689 ppm2 6.813 CV 1 ASSI { 2085} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 118 and name HA )) 3.400 1.400 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.99435E-03 ppm1 2.977 ppm2 4.586 CV 1 ASSI { 2088} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 155 and name HD2%) 3.800 1.800 1.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.99162E-03 ppm1 1.964 ppm2 0.730 CV 1 OR { 2088} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 155 and name HD1%) ASSI { 2097} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 119 and name HD2%) 3.400 1.400 1.400 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.98793E-03 ppm1 1.257 ppm2 0.450 CV 1 ASSI { 2122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HB2 )) 3.400 1.400 1.400 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.97460E-03 ppm1 3.612 ppm2 1.763 CV 1 OR { 2122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 2132} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.500 2.500 3.500 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.11689E-01 ppm1 1.262 ppm2 4.563 CV 1 OR { 2132} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) ASSI { 2136} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HE3 )) 3.700 1.700 1.700 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.96854E-03 ppm1 0.693 ppm2 7.010 CV 1 ASSI { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.400 1.500 1.500 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.96754E-03 ppm1 2.716 ppm2 0.820 CV 1 OR { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD2%) ASSI { 2159} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 127 and name HG1%) 3.800 1.800 1.800 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.95943E-03 ppm1 2.595 ppm2 1.131 CV 1 ASSI { 2182} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.500 1.500 1.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.94611E-03 ppm1 2.894 ppm2 0.752 CV 1 ASSI { 2183} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HB2 )) 3.900 3.900 2.100 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.94546E-03 ppm1 3.915 ppm2 1.601 CV 1 OR { 2183} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 2186} (( segid " " and resid 128 and name HA )) (( segid " " and resid 100 and name HA )) 3.300 1.300 1.300 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.94334E-03 ppm1 4.173 ppm2 4.396 CV 1 ASSI { 2190} (( segid " " and resid 125 and name HB )) ( segid " " and resid 152 and name HD1%) 3.900 1.900 1.900 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.94277E-03 ppm1 1.264 ppm2 0.662 CV 1 ASSI { 2207} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 3.800 1.800 1.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.93342E-03 ppm1 0.047 ppm2 2.619 CV 1 ASSI { 2209} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 4.000 2.000 2.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.93234E-03 ppm1 2.582 ppm2 5.855 CV 1 ASSI { 2224} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 119 and name HD1%) 4.000 2.000 2.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.92668E-03 ppm1 3.716 ppm2 0.752 CV 1 ASSI { 2234} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 129 and name HA1 )) 3.800 1.800 1.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.92323E-03 ppm1 2.170 ppm2 3.730 CV 1 OR { 2234} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 129 and name HA1 )) ASSI { 2275} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 127 and name HG2%) 2.700 0.900 0.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.90998E-03 ppm1 2.876 ppm2 0.757 CV 1 ASSI { 2277} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD1 )) 3.100 1.200 1.200 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.90950E-03 ppm1 2.652 ppm2 7.023 CV 1 ASSI { 2278} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG )) 3.700 1.700 1.700 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.90922E-03 ppm1 4.665 ppm2 1.456 CV 1 ASSI { 2289} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 147 and name HD% ) 4.000 2.000 2.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.90693E-03 ppm1 -0.195 ppm2 6.814 CV 1 ASSI { 2293} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HG13)) 3.400 1.400 1.400 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.90568E-03 ppm1 0.619 ppm2 1.089 CV 1 ASSI { 2303} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 139 and name HG1%) 3.700 1.700 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.90231E-03 ppm1 3.849 ppm2 0.816 CV 1 ASSI { 2316} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HA )) 4.100 2.100 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.90023E-03 ppm1 2.585 ppm2 5.171 CV 1 ASSI { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD1%) 3.900 1.900 1.900 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.89902E-03 ppm1 4.328 ppm2 0.719 CV 1 ASSI { 2320} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.800 1.000 1.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.89830E-03 ppm1 4.657 ppm2 2.002 CV 1 ASSI { 2325} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.400 3.400 2.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.89625E-03 ppm1 2.283 ppm2 4.679 CV 1 ASSI { 2327} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 117 and name HB3 )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.89593E-03 ppm1 4.426 ppm2 1.405 CV 1 ASSI { 2348} (( segid " " and resid 109 and name HA )) ( segid " " and resid 119 and name HD1%) 4.300 2.300 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.89180E-03 ppm1 4.646 ppm2 0.752 CV 1 ASSI { 2386} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.88305E-03 ppm1 4.349 ppm2 4.575 CV 1 ASSI { 2403} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 152 and name HD1%) 3.200 1.300 1.300 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.87879E-03 ppm1 0.481 ppm2 0.678 CV 1 ASSI { 2421} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 152 and name HG2%) 3.100 1.200 1.200 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.87265E-03 ppm1 2.886 ppm2 0.652 CV 1 ASSI { 2430} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HA2 )) 3.600 1.600 1.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.87173E-03 ppm1 4.348 ppm2 4.102 CV 1 ASSI { 2431} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HG )) 3.700 1.700 1.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.87169E-03 ppm1 4.102 ppm2 1.432 CV 1 ASSI { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD2 )) 4.200 2.200 1.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.86867E-03 ppm1 1.912 ppm2 3.608 CV 1 OR { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2443} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.500 2.500 3.500 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.86627E-03 ppm1 0.713 ppm2 0.491 CV 1 ASSI { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB2 )) 4.400 2.400 1.600 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.86615E-03 ppm1 5.859 ppm2 1.740 CV 1 OR { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 2463} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 129 and name HN )) 2.500 2.500 3.500 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.85764E-03 ppm1 0.754 ppm2 7.493 CV 1 ASSI { 2483} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG13)) 3.000 1.100 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.85302E-03 ppm1 1.807 ppm2 1.446 CV 1 ASSI { 2487} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 3.000 1.100 1.100 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.85230E-03 ppm1 0.633 ppm2 0.036 CV 1 ASSI { 2489} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB3 )) 3.600 1.600 1.600 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.85133E-03 ppm1 0.049 ppm2 1.184 CV 1 ASSI { 2497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) 3.100 1.200 1.200 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.85005E-03 ppm1 1.270 ppm2 1.969 CV 1 OR { 2497} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HG2 )) 3.800 1.800 1.800 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.84604E-03 ppm1 0.740 ppm2 1.968 CV 1 OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB2 )) OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB3 )) ASSI { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB2 )) 4.200 2.200 1.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.84166E-03 ppm1 4.326 ppm2 1.497 CV 1 OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 2546} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 5.100 3.200 0.900 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.83556E-03 ppm1 0.657 ppm2 2.614 CV 1 ASSI { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB3 )) 3.600 1.600 1.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.83556E-03 ppm1 3.917 ppm2 1.300 CV 1 OR { 2547} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HB3 )) OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB2 )) ASSI { 2585} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.82267E-03 ppm1 2.456 ppm2 5.172 CV 1 ASSI { 2600} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.81802E-03 ppm1 2.006 ppm2 0.713 CV 1 ASSI { 2618} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HA )) 3.500 1.500 1.500 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.81035E-03 ppm1 0.787 ppm2 4.368 CV 1 ASSI { 2623} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 147 and name HD% ) 3.500 1.500 1.500 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.80702E-03 ppm1 0.449 ppm2 6.809 CV 1 ASSI { 2626} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HG2 )) 2.100 0.500 0.500 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 1.805 ppm2 1.987 CV 1 OR { 2626} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HG3 )) ASSI { 2628} (( segid " " and resid 155 and name HG )) (( segid " " and resid 156 and name HB2 )) 4.000 2.000 2.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.80590E-03 ppm1 1.512 ppm2 3.851 CV 1 OR { 2628} (( segid " " and resid 155 and name HG )) (( segid " " and resid 156 and name HB3 )) ASSI { 2631} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HG2%) 4.000 2.000 2.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.80501E-03 ppm1 4.769 ppm2 0.752 CV 1 ASSI { 2633} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG )) 3.400 1.400 1.400 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.80477E-03 ppm1 4.658 ppm2 1.838 CV 1 ASSI { 2661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HB )) 2.900 1.000 1.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.79847E-03 ppm1 3.743 ppm2 1.796 CV 1 ASSI { 2673} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HB2 )) 2.400 0.700 0.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.79646E-03 ppm1 2.004 ppm2 1.614 CV 1 ASSI { 2678} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 161 and name HA )) 2.600 2.600 3.400 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.79466E-03 ppm1 0.778 ppm2 4.200 CV 1 ASSI { 2688} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 3.600 3.600 2.400 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.79165E-03 ppm1 2.554 ppm2 2.200 CV 1 ASSI { 2713} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 147 and name HD% ) 2.000 0.500 0.500 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 1.934 ppm2 6.844 CV 1 ASSI { 2738} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HE22)) 4.400 2.400 1.600 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.77627E-03 ppm1 4.371 ppm2 6.743 CV 1 ASSI { 2755} (( segid " " and resid 137 and name HA )) ( segid " " and resid 128 and name HG1%) 3.700 1.700 1.700 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.77254E-03 ppm1 5.170 ppm2 0.818 CV 1 ASSI { 2763} (( segid " " and resid 152 and name HA )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.77109E-03 ppm1 5.042 ppm2 0.762 CV 1 ASSI { 2781} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HG )) 4.600 2.700 1.400 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.76740E-03 ppm1 2.975 ppm2 1.427 CV 1 ASSI { 2786} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HG )) 4.800 2.800 1.200 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.76696E-03 ppm1 3.813 ppm2 1.474 CV 1 ASSI { 2787} (( segid " " and resid 164 and name HB )) (( segid " " and resid 162 and name HB2 )) 4.000 2.000 2.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.76668E-03 ppm1 1.774 ppm2 1.492 CV 1 ASSI { 2792} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.76580E-03 ppm1 5.013 ppm2 2.975 CV 1 ASSI { 2794} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 122 and name HA1 )) 3.400 1.400 1.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.76535E-03 ppm1 1.988 ppm2 3.401 CV 1 OR { 2794} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 122 and name HA1 )) ASSI { 2801} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HE3 )) 3.500 1.500 1.500 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.76331E-03 ppm1 4.781 ppm2 6.977 CV 1 ASSI { 2818} (( segid " " and resid 152 and name HB )) (( segid " " and resid 103 and name HB2 )) 4.900 3.000 1.100 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.75893E-03 ppm1 1.805 ppm2 2.603 CV 1 ASSI { 2829} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 144 and name HG2%) 3.500 1.600 1.600 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.75407E-03 ppm1 1.749 ppm2 1.096 CV 1 OR { 2829} (( segid " " and resid 137 and name HB3 )) ( segid " " and resid 144 and name HG2%) ASSI { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB3 )) 4.400 2.400 1.600 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.74990E-03 ppm1 2.249 ppm2 1.741 CV 1 OR { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB2 )) ASSI { 2869} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 105 and name HB )) 4.100 2.100 1.900 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.74219E-03 ppm1 2.331 ppm2 2.155 CV 1 ASSI { 2885} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.73999E-03 ppm1 2.435 ppm2 5.164 CV 1 ASSI { 2905} (( segid " " and resid 163 and name HA1 )) (( segid " " and resid 164 and name HB )) 4.300 2.300 1.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.73657E-03 ppm1 3.822 ppm2 1.781 CV 1 OR { 2905} (( segid " " and resid 163 and name HA2 )) (( segid " " and resid 164 and name HB )) ASSI { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE3 )) 3.700 1.700 1.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.72911E-03 ppm1 1.686 ppm2 2.801 CV 1 OR { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE2 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE3 )) ASSI { 2943} (( segid " " and resid 139 and name HB )) ( segid " " and resid 144 and name HG2%) 3.300 1.300 1.300 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.72706E-03 ppm1 1.858 ppm2 1.091 CV 1 ASSI { 2947} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.200 1.300 1.300 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.72618E-03 ppm1 1.162 ppm2 0.398 CV 1 ASSI { 2956} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 125 and name HD1%) 4.500 2.500 1.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.72309E-03 ppm1 1.133 ppm2 -0.191 CV 1 ASSI { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.72212E-03 ppm1 4.530 ppm2 3.808 CV 1 OR { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 2959} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HE% ) 4.200 2.200 1.800 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.72208E-03 ppm1 4.371 ppm2 6.868 CV 1 ASSI { 2964} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.72088E-03 ppm1 0.729 ppm2 2.600 CV 1 ASSI { 2994} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG3 )) 3.200 1.300 1.300 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.71137E-03 ppm1 4.661 ppm2 2.465 CV 1 ASSI { 2995} (( segid " " and resid 147 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.71137E-03 ppm1 2.676 ppm2 0.752 CV 1 ASSI { 3004} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 144 and name HG2%) 4.300 2.300 1.700 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.70956E-03 ppm1 4.425 ppm2 1.095 CV 1 ASSI { 3007} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.70948E-03 ppm1 2.474 ppm2 5.855 CV 1 ASSI { 3014} (( segid " " and resid 144 and name HB )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.70864E-03 ppm1 3.937 ppm2 0.732 CV 1 ASSI { 3017} (( segid " " and resid 151 and name HA )) (( segid " " and resid 150 and name HA )) 3.600 1.600 1.600 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.70799E-03 ppm1 4.694 ppm2 4.533 CV 1 ASSI { 3018} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 152 and name HG2%) 4.100 2.100 1.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.70795E-03 ppm1 3.721 ppm2 0.652 CV 1 ASSI { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD2 )) 3.600 1.600 1.600 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.70699E-03 ppm1 1.468 ppm2 3.607 CV 1 OR { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD3 )) ASSI { 3030} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 135 and name HB2 )) 3.700 1.700 1.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.70571E-03 ppm1 2.254 ppm2 2.649 CV 1 ASSI { 3039} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.70422E-03 ppm1 5.083 ppm2 1.433 CV 1 ASSI { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB3 )) 3.700 1.700 1.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 0.713 ppm2 3.903 CV 1 OR { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB2 )) ASSI { 3066} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 109 and name HB3 )) 4.100 2.100 1.900 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.70021E-03 ppm1 0.452 ppm2 2.869 CV 1 ASSI { 3078} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ3 )) 3.900 1.900 1.900 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.69808E-03 ppm1 0.753 ppm2 7.120 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 154 and name HG2 )) 4.200 2.300 1.800 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.69667E-03 ppm1 1.992 ppm2 2.317 CV 1 OR { 3085} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 154 and name HG2 )) ASSI { 3088} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 119 and name HA )) 4.200 2.200 1.800 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.69631E-03 ppm1 -0.191 ppm2 4.653 CV 1 ASSI { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HG2 )) 2.400 0.700 0.700 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.11710E-01 ppm1 5.343 ppm2 1.937 CV 1 OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB3 )) OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 3126} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HB3 )) 1.600 0.300 0.600 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.910 ppm2 2.080 CV 1 ASSI { 3130} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 2.200 0.600 0.600 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 2.323 ppm2 4.327 CV 1 OR { 3130} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) ASSI { 3150} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HB )) 2.100 0.500 0.500 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 0.705 ppm2 1.854 CV 1 ASSI { 3156} (( segid " " and resid 110 and name HG )) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.465 ppm2 4.664 CV 1 ASSI { 3161} (( segid " " and resid 152 and name HG13)) (( segid " " and resid 154 and name HA )) 2.400 2.400 3.600 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.451 ppm2 4.344 CV 1 ASSI { 3167} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 119 and name HD1%) 2.000 0.500 0.500 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.616 ppm2 0.751 CV 1 ASSI { 3168} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB3 )) 2.000 0.500 0.500 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 0.675 ppm2 1.408 CV 1 OR { 3168} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HB3 )) ASSI { 3169} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 105 and name HG2%) 1.700 0.300 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.617 ppm2 0.713 CV 1 ASSI { 3172} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB3 )) 2.400 2.400 3.600 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 2.004 ppm2 2.846 CV 1 ASSI { 3173} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 2.000 ppm2 2.479 CV 1 ASSI { 3175} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG1%) 1.700 0.400 0.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 2.003 ppm2 0.865 CV 1 ASSI { 3176} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD2%) 1.700 0.400 0.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 2.001 ppm2 0.449 CV 1 ASSI { 3179} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 2.000 2.000 4.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.616 ppm2 2.858 CV 1 ASSI { 3180} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.100 2.100 3.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.615 ppm2 4.653 CV 1 ASSI { 3183} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB3 )) 1.400 0.300 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.837 ppm2 2.866 CV 1 ASSI { 3184} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.400 0.700 0.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.837 ppm2 2.477 CV 1 ASSI { 3185} (( segid " " and resid 119 and name HG )) (( segid " " and resid 119 and name HB3 )) 1.900 1.900 4.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.838 ppm2 1.992 CV 1 ASSI { 3186} (( segid " " and resid 119 and name HG )) ( segid " " and resid 105 and name HG1%) 2.500 2.500 3.500 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.11558E-01 ppm1 1.837 ppm2 0.859 CV 1 ASSI { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HG )) 2.100 0.600 0.600 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 0.714 ppm2 1.494 CV 1 OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HG )) OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB3 )) OR { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HB2 )) ASSI { 3196} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HA )) 1.900 0.500 0.500 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.121 ppm2 4.817 CV 1 ASSI { 3198} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HG13)) 1.800 0.400 0.400 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.122 ppm2 1.565 CV 1 ASSI { 3201} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HA )) 2.300 0.700 0.700 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.563 ppm2 4.818 CV 1 ASSI { 3202} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HB )) 2.100 0.500 0.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.565 ppm2 1.767 CV 1 ASSI { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HD1%) 2.200 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.564 ppm2 0.722 CV 1 ASSI { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG2 )) 2.600 0.900 0.900 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 5.039 ppm2 1.268 CV 1 OR { 3206} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HG3 )) ASSI { 3207} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 0.657 ppm2 1.438 CV 1 ASSI { 3215} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HB )) 1.900 1.900 4.100 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.277 ppm2 1.797 CV 1 ASSI { 3216} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HG13)) 1.600 0.300 0.600 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.278 ppm2 1.427 CV 1 ASSI { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) 1.900 0.400 0.400 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.11559E-01 ppm1 1.278 ppm2 0.655 CV 1 ASSI { 3219} (( segid " " and resid 164 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.700 2.700 3.300 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 4.012 ppm2 1.496 CV 1 ASSI { 3222} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HB )) 2.200 0.600 0.600 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 1.055 ppm2 1.761 CV 1 ASSI { 3223} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.300 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 2.204 ppm2 5.172 CV 1 ASSI { 3224} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 2.197 ppm2 5.342 CV 1 ASSI { 3225} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HA )) 2.200 2.200 3.800 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 1.958 ppm2 5.342 CV 1 ASSI { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE2 )) 2.300 2.300 3.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 4.551 ppm2 2.800 CV 1 OR { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE3 )) ASSI { 3227} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.100 0.600 0.600 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 2.324 ppm2 1.913 CV 1 OR { 3227} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3228} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 152 and name HD1%) 1.700 1.700 4.300 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 2.325 ppm2 0.682 CV 1 OR { 3228} (( segid " " and resid 154 and name HG3 )) ( segid " " and resid 152 and name HD1%) ASSI { 3229} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 147 and name HD% ) 2.800 2.800 3.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 2.868 ppm2 6.844 CV 1 ASSI { 3233} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG12)) 2.200 2.200 3.800 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 2.973 ppm2 1.286 CV 1 ASSI { 3234} (( segid " " and resid 149 and name HA )) ( segid " " and resid 147 and name HD% ) 2.200 2.200 3.800 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 2.971 ppm2 6.839 CV 1 ASSI { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD1%) 2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.75845E-02 ppm1 7.381 ppm2 0.721 CV 1 ASSI { 13} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 151 and name HE% ) 2.100 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.74275E-02 ppm1 7.029 ppm2 7.285 CV 1 ASSI { 18} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 136 and name HZ3 )) 2.600 2.600 3.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17037E-01 ppm1 7.231 ppm2 7.165 CV 1 ASSI { 45} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HZ3 )) 2.900 2.900 3.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37417E-02 ppm1 7.395 ppm2 7.144 CV 1 ASSI { 92} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HD1 )) 3.200 3.200 2.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.17341E-02 ppm1 6.480 ppm2 7.019 CV 1 ASSI { 99} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB3 )) 2.200 2.200 3.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.75387E-02 ppm1 7.086 ppm2 2.906 CV 1 ASSI { 101} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB2 )) 3.400 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.16128E-02 ppm1 7.281 ppm2 2.911 CV 1 ASSI { 105} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 6.937 ppm2 4.706 CV 1 ASSI { 109} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 7.030 ppm2 2.909 CV 1 ASSI { 111} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 109 and name HE% ) 3.600 1.600 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 7.240 ppm2 6.882 CV 1 ASSI { 135} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.000 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 7.065 ppm2 2.505 CV 1 ASSI { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 119 and name HD1%) 2.400 2.400 3.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10232E-02 ppm1 7.030 ppm2 0.756 CV 1 ASSI { 147} (( segid " " and resid 136 and name HE3 )) (( segid " " and resid 136 and name HZ3 )) 2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.99841E-03 ppm1 6.957 ppm2 7.126 CV 1 ASSI { 151} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.96108E-03 ppm1 7.028 ppm2 4.703 CV 1 ASSI { 152} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB3 )) 3.200 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.96032E-03 ppm1 6.939 ppm2 2.922 CV 1 ASSI { 155} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HA )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.94723E-03 ppm1 6.936 ppm2 4.571 CV 1 ASSI { 156} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 103 and name HB2 )) 2.300 2.300 3.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.75845E-02 ppm1 7.136 ppm2 2.646 CV 1 ASSI { 166} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HE3 )) 3.300 3.300 2.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.84684E-03 ppm1 7.395 ppm2 6.995 CV 1 ASSI { 178} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 147 and name HB2 )) 3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.80072E-03 ppm1 6.841 ppm2 2.662 CV 1 ASSI { 186} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HA )) 2.500 2.500 3.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.76632E-03 ppm1 7.285 ppm2 4.694 CV 1 ASSI { 188} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.76126E-03 ppm1 7.137 ppm2 4.700 CV 1 ASSI { 197} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.72967E-03 ppm1 7.064 ppm2 0.772 CV 1 ASSI { 216} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 107 and name HB2 )) 2.600 2.600 3.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.67424E-03 ppm1 7.272 ppm2 2.263 CV 1 ASSI { 230} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB3 )) 2.600 2.600 3.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.63020E-03 ppm1 7.281 ppm2 3.738 CV 1 ASSI { 239} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB3 )) 3.400 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.62033E-03 ppm1 7.029 ppm2 3.753 CV 1 ASSI { 258} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.300 2.300 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.58621E-03 ppm1 7.130 ppm2 2.297 CV 1 ASSI { 266} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 266 spectrum 1 weight 0.10000E+01 volume 0.57368E-03 ppm1 7.028 ppm2 2.310 CV 1 ASSI { 290} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 132 and name HB2 )) 4.000 2.000 2.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.54799E-03 ppm1 7.058 ppm2 2.036 CV 1 ASSI { 297} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 4.200 2.200 1.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.54446E-03 ppm1 8.749 ppm2 7.101 CV 1 ASSI { 308} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 4.400 2.400 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.53419E-03 ppm1 8.161 ppm2 8.059 CV 1 ASSI { 315} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.900 1.900 1.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.52182E-03 ppm1 7.030 ppm2 2.509 CV 1 ASSI { 318} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB3 )) 3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.51685E-03 ppm1 7.057 ppm2 2.853 CV 1 ASSI { 357} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB2 )) 4.100 2.100 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.48534E-03 ppm1 7.082 ppm2 1.520 CV 1 ASSI { 371} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 147 and name HB2 )) 4.300 2.300 1.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.47976E-03 ppm1 7.137 ppm2 2.648 CV 1 ASSI { 376} (( segid " " and resid 136 and name HZ3 )) ( segid " " and resid 152 and name HD1%) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.75845E-02 ppm1 7.143 ppm2 0.714 CV 1 ASSI { 414} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 150 and name HB3 )) 3.200 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.45286E-03 ppm1 7.027 ppm2 2.648 CV 1 ASSI { 421} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.500 2.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.44913E-03 ppm1 7.105 ppm2 2.900 CV 1 ASSI { 436} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 152 and name HG12)) 3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.43950E-03 ppm1 6.841 ppm2 1.272 CV 1 ASSI { 440} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 134 and name HA2 )) 2.200 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 7.052 ppm2 3.957 CV 1 ASSI { 442} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.300 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 6.937 ppm2 2.301 CV 1 ASSI { 444} ( segid " " and resid 107 and name HD% ) ( segid " " and resid 107 and name HE% ) 2.300 0.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 6.937 ppm2 7.135 CV 1 ASSI { 448} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 7.137 ppm2 0.864 CV 1 ASSI { 449} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 147 and name HE% ) 2.000 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 6.845 ppm2 7.241 CV 1 ASSI { 452} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.600 2.600 3.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.74532E-02 ppm1 6.896 ppm2 2.004 CV 1 ASSI { 2} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 9.739 ppm2 0.730 CV 1 ASSI { 5} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB2 )) 2.200 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.61543E-02 ppm1 7.341 ppm2 2.560 CV 1 ASSI { 6} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.61543E-02 ppm1 6.600 ppm2 2.560 CV 1 ASSI { 7} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.62074E-02 ppm1 8.546 ppm2 2.618 CV 1 ASSI { 8} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG1%) 2.000 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.62103E-02 ppm1 9.154 ppm2 0.836 CV 1 ASSI { 15} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.61543E-02 ppm1 6.601 ppm2 4.514 CV 1 ASSI { 16} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.61543E-02 ppm1 9.026 ppm2 2.334 CV 1 ASSI { 17} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB3 )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.61543E-02 ppm1 7.577 ppm2 2.208 CV 1 ASSI { 46} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HE22)) 1.500 0.300 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.47976E-01 ppm1 7.578 ppm2 6.770 CV 1 ASSI { 47} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HD21)) 1.500 0.300 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.46331E-01 ppm1 7.079 ppm2 7.696 CV 1 ASSI { 71} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HD22)) 1.800 0.400 0.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24276E-01 ppm1 7.342 ppm2 6.596 CV 1 ASSI { 80} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HD22)) 1.800 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.21216E-01 ppm1 7.443 ppm2 6.586 CV 1 ASSI { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.13712E-01 ppm1 8.239 ppm2 3.822 CV 1 OR { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 110} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.13221E-01 ppm1 8.440 ppm2 4.616 CV 1 ASSI { 114} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12790E-01 ppm1 8.255 ppm2 4.561 CV 1 ASSI { 115} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.400 2.400 3.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12680E-01 ppm1 8.060 ppm2 4.567 CV 1 ASSI { 117} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.900 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12579E-01 ppm1 7.499 ppm2 4.662 CV 1 ASSI { 118} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.600 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12166E-01 ppm1 8.347 ppm2 4.243 CV 1 ASSI { 120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.12025E-01 ppm1 8.310 ppm2 4.414 CV 1 ASSI { 125} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11550E-01 ppm1 9.875 ppm2 7.039 CV 1 ASSI { 127} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11426E-01 ppm1 8.282 ppm2 4.255 CV 1 ASSI { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA2 )) 2.600 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.11095E-01 ppm1 7.855 ppm2 3.833 CV 1 OR { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA1 )) ASSI { 131} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.200 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10733E-01 ppm1 8.485 ppm2 4.406 CV 1 ASSI { 138} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.99360E-02 ppm1 8.159 ppm2 4.173 CV 1 ASSI { 140} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.97329E-02 ppm1 7.855 ppm2 1.781 CV 1 ASSI { 141} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.96351E-02 ppm1 8.692 ppm2 4.463 CV 1 ASSI { 143} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.94612E-02 ppm1 8.785 ppm2 4.063 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.94547E-02 ppm1 8.912 ppm2 4.567 CV 1 ASSI { 145} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.93799E-02 ppm1 8.921 ppm2 4.584 CV 1 ASSI { 146} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.93343E-02 ppm1 8.060 ppm2 0.794 CV 1 ASSI { 147} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.90859E-02 ppm1 7.876 ppm2 4.362 CV 1 ASSI { 149} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.89855E-02 ppm1 8.326 ppm2 4.565 CV 1 ASSI { 150} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.300 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.89379E-02 ppm1 8.060 ppm2 1.720 CV 1 ASSI { 152} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.200 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.88854E-02 ppm1 7.977 ppm2 4.293 CV 1 ASSI { 155} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.83815E-02 ppm1 8.239 ppm2 4.228 CV 1 ASSI { 156} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.81178E-02 ppm1 10.056 ppm2 7.078 CV 1 ASSI { 159} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.200 1.300 1.300 peak 159 spectrum 1 weight 0.10000E+01 volume 0.79378E-02 ppm1 8.158 ppm2 1.609 CV 1 ASSI { 160} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.78413E-02 ppm1 8.979 ppm2 5.457 CV 1 ASSI { 161} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.78202E-02 ppm1 8.306 ppm2 4.396 CV 1 ASSI { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.77752E-02 ppm1 8.315 ppm2 3.961 CV 1 OR { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.77623E-02 ppm1 9.127 ppm2 5.046 CV 1 ASSI { 165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.75981E-02 ppm1 8.575 ppm2 4.689 CV 1 ASSI { 166} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.75828E-02 ppm1 9.062 ppm2 4.672 CV 1 ASSI { 169} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.74802E-02 ppm1 9.739 ppm2 4.685 CV 1 ASSI { 170} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 1.900 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.74076E-02 ppm1 9.005 ppm2 4.784 CV 1 ASSI { 171} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.72428E-02 ppm1 8.198 ppm2 1.885 CV 1 ASSI { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA2 )) 2.600 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.71774E-02 ppm1 8.541 ppm2 3.948 CV 1 OR { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA1 )) ASSI { 175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.70747E-02 ppm1 8.347 ppm2 1.635 CV 1 ASSI { 178} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.100 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.69435E-02 ppm1 8.677 ppm2 4.835 CV 1 ASSI { 179} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.400 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.68143E-02 ppm1 7.830 ppm2 1.726 CV 1 ASSI { 180} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66825E-02 ppm1 8.343 ppm2 3.742 CV 1 ASSI { 182} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.65076E-02 ppm1 9.739 ppm2 4.356 CV 1 ASSI { 183} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HN )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.63298E-02 ppm1 7.855 ppm2 8.215 CV 1 ASSI { 184} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.63221E-02 ppm1 8.534 ppm2 4.448 CV 1 ASSI { 185} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.63010E-02 ppm1 8.545 ppm2 4.346 CV 1 ASSI { 187} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.61579E-02 ppm1 8.541 ppm2 4.289 CV 1 ASSI { 188} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HG2%) 2.900 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.61426E-02 ppm1 7.475 ppm2 0.782 CV 1 ASSI { 189} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.60335E-02 ppm1 8.473 ppm2 3.491 CV 1 ASSI { 190} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.400 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.59529E-02 ppm1 7.876 ppm2 1.934 CV 1 ASSI { 191} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.59525E-02 ppm1 8.473 ppm2 4.789 CV 1 ASSI { 192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.59337E-02 ppm1 8.476 ppm2 7.405 CV 1 ASSI { 193} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.300 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.59318E-02 ppm1 9.121 ppm2 5.874 CV 1 ASSI { 195} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.58709E-02 ppm1 8.599 ppm2 4.097 CV 1 ASSI { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.58427E-02 ppm1 7.500 ppm2 1.326 CV 1 OR { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 198} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.58120E-02 ppm1 7.855 ppm2 4.028 CV 1 ASSI { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.57984E-02 ppm1 7.977 ppm2 1.947 CV 1 OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG2 )) ASSI { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.57686E-02 ppm1 8.545 ppm2 1.513 CV 1 OR { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 202} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.57041E-02 ppm1 8.971 ppm2 5.365 CV 1 ASSI { 203} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.57015E-02 ppm1 7.525 ppm2 3.696 CV 1 ASSI { 204} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.56669E-02 ppm1 9.533 ppm2 5.187 CV 1 ASSI { 205} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.56481E-02 ppm1 8.345 ppm2 4.022 CV 1 ASSI { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB3 )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.55581E-02 ppm1 8.306 ppm2 2.614 CV 1 OR { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 211} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.55114E-02 ppm1 9.110 ppm2 5.390 CV 1 ASSI { 212} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.54250E-02 ppm1 8.476 ppm2 4.724 CV 1 ASSI { 215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) 3.400 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.53077E-02 ppm1 8.141 ppm2 2.166 CV 1 ASSI { 216} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.200 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.53048E-02 ppm1 8.974 ppm2 5.017 CV 1 ASSI { 217} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.52951E-02 ppm1 8.141 ppm2 4.408 CV 1 ASSI { 218} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.52896E-02 ppm1 8.141 ppm2 2.752 CV 1 ASSI { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) 2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.52349E-02 ppm1 8.254 ppm2 3.931 CV 1 OR { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) ASSI { 225} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.49648E-02 ppm1 7.392 ppm2 9.029 CV 1 ASSI { 227} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.49035E-02 ppm1 7.854 ppm2 0.778 CV 1 ASSI { 229} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.48433E-02 ppm1 9.126 ppm2 0.724 CV 1 ASSI { 231} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.48417E-02 ppm1 8.759 ppm2 5.215 CV 1 ASSI { 234} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG12)) 2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.47575E-02 ppm1 7.855 ppm2 1.072 CV 1 ASSI { 235} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47513E-02 ppm1 8.912 ppm2 4.065 CV 1 ASSI { 236} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.600 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.47416E-02 ppm1 8.576 ppm2 2.670 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.47034E-02 ppm1 8.473 ppm2 4.115 CV 1 ASSI { 239} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.800 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.46898E-02 ppm1 8.306 ppm2 4.563 CV 1 ASSI { 240} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.200 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.46652E-02 ppm1 9.072 ppm2 5.046 CV 1 ASSI { 242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.46344E-02 ppm1 8.350 ppm2 4.295 CV 1 ASSI { 243} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.46250E-02 ppm1 9.027 ppm2 4.385 CV 1 ASSI { 247} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.45829E-02 ppm1 7.703 ppm2 2.726 CV 1 ASSI { 248} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.500 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.45820E-02 ppm1 8.912 ppm2 2.234 CV 1 ASSI { 250} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45402E-02 ppm1 8.363 ppm2 4.515 CV 1 ASSI { 251} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.45259E-02 ppm1 8.922 ppm2 1.932 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.45110E-02 ppm1 8.440 ppm2 3.966 CV 1 ASSI { 255} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB3 )) 2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.44712E-02 ppm1 7.829 ppm2 1.854 CV 1 ASSI { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.44560E-02 ppm1 8.309 ppm2 3.817 CV 1 OR { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 257} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.44200E-02 ppm1 9.074 ppm2 3.755 CV 1 ASSI { 260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.44025E-02 ppm1 8.326 ppm2 4.173 CV 1 ASSI { 261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.43931E-02 ppm1 8.428 ppm2 5.175 CV 1 ASSI { 263} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HZ2 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.43546E-02 ppm1 9.875 ppm2 7.285 CV 1 ASSI { 264} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.300 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.43501E-02 ppm1 9.072 ppm2 1.817 CV 1 ASSI { 265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.43190E-02 ppm1 8.861 ppm2 4.565 CV 1 ASSI { 268} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.42383E-02 ppm1 8.476 ppm2 2.805 CV 1 ASSI { 271} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.42082E-02 ppm1 9.154 ppm2 4.148 CV 1 ASSI { 272} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.42005E-02 ppm1 7.391 ppm2 1.997 CV 1 ASSI { 273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.41402E-02 ppm1 8.474 ppm2 4.358 CV 1 ASSI { 274} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG2%) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.41360E-02 ppm1 9.154 ppm2 0.775 CV 1 ASSI { 275} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.41175E-02 ppm1 10.056 ppm2 7.392 CV 1 ASSI { 277} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG13)) 2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.40920E-02 ppm1 7.854 ppm2 1.348 CV 1 ASSI { 278} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 8.476 ppm2 2.719 CV 1 ASSI { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.40797E-02 ppm1 8.454 ppm2 3.852 CV 1 OR { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 281} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.40612E-02 ppm1 7.830 ppm2 4.617 CV 1 ASSI { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 7.830 ppm2 8.464 CV 1 ASSI { 284} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.39375E-02 ppm1 9.074 ppm2 0.858 CV 1 ASSI { 285} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.39365E-02 ppm1 7.402 ppm2 2.469 CV 1 ASSI { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) 2.900 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.39281E-02 ppm1 8.454 ppm2 1.514 CV 1 OR { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 287} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 2.600 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.39061E-02 ppm1 8.324 ppm2 8.166 CV 1 ASSI { 290} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 2.900 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.38429E-02 ppm1 7.392 ppm2 2.211 CV 1 ASSI { 291} (( segid " " and resid 145 and name HN )) ( segid " " and resid 127 and name HG1%) 3.100 3.100 2.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.37953E-02 ppm1 8.979 ppm2 1.117 CV 1 ASSI { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.37613E-02 ppm1 8.922 ppm2 1.873 CV 1 ASSI { 295} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37551E-02 ppm1 8.785 ppm2 3.546 CV 1 ASSI { 299} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HD1%) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.36492E-02 ppm1 7.125 ppm2 0.686 CV 1 ASSI { 300} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36483E-02 ppm1 8.141 ppm2 2.340 CV 1 ASSI { 301} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB2 )) 3.500 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36389E-02 ppm1 7.079 ppm2 2.727 CV 1 ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.35932E-02 ppm1 8.141 ppm2 8.446 CV 1 ASSI { 304} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.35686E-02 ppm1 8.923 ppm2 0.828 CV 1 ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.35641E-02 ppm1 7.392 ppm2 4.685 CV 1 ASSI { 307} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.35288E-02 ppm1 7.545 ppm2 7.124 CV 1 ASSI { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.500 1.600 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.35016E-02 ppm1 8.921 ppm2 1.705 CV 1 OR { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 311} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.600 1.600 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34931E-02 ppm1 8.921 ppm2 2.368 CV 1 ASSI { 312} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34899E-02 ppm1 7.374 ppm2 0.844 CV 1 ASSI { 313} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.34828E-02 ppm1 7.975 ppm2 0.419 CV 1 ASSI { 314} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34773E-02 ppm1 8.362 ppm2 8.780 CV 1 ASSI { 315} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.34747E-02 ppm1 8.343 ppm2 4.408 CV 1 ASSI { 316} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.34523E-02 ppm1 9.110 ppm2 0.880 CV 1 ASSI { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG1%) 2.900 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.34358E-02 ppm1 8.351 ppm2 0.842 CV 1 OR { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) ASSI { 320} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA1 )) 3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.33921E-02 ppm1 8.923 ppm2 3.860 CV 1 ASSI { 321} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.600 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 9.110 ppm2 2.163 CV 1 ASSI { 325} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.33442E-02 ppm1 8.921 ppm2 2.104 CV 1 ASSI { 327} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HG1%) 2.900 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.33196E-02 ppm1 9.004 ppm2 1.143 CV 1 ASSI { 328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.33140E-02 ppm1 8.243 ppm2 1.675 CV 1 ASSI { 330} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32946E-02 ppm1 8.923 ppm2 5.239 CV 1 ASSI { 331} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.900 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.32868E-02 ppm1 8.678 ppm2 0.771 CV 1 ASSI { 332} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.32525E-02 ppm1 9.071 ppm2 0.688 CV 1 ASSI { 333} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.32322E-02 ppm1 7.876 ppm2 1.786 CV 1 ASSI { 336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.400 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31841E-02 ppm1 8.974 ppm2 1.817 CV 1 ASSI { 337} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.31726E-02 ppm1 9.074 ppm2 7.369 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.31539E-02 ppm1 7.545 ppm2 2.914 CV 1 ASSI { 340} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.31488E-02 ppm1 8.811 ppm2 4.435 CV 1 ASSI { 342} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31111E-02 ppm1 8.442 ppm2 3.428 CV 1 ASSI { 343} (( segid " " and resid 143 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 7.830 ppm2 0.727 CV 1 ASSI { 344} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31015E-02 ppm1 8.242 ppm2 4.286 CV 1 ASSI { 347} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA1 )) 3.000 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.30783E-02 ppm1 8.812 ppm2 3.835 CV 1 ASSI { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.30704E-02 ppm1 8.759 ppm2 1.749 CV 1 OR { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 349} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.30634E-02 ppm1 8.575 ppm2 4.509 CV 1 ASSI { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.800 1.800 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30351E-02 ppm1 8.198 ppm2 2.180 CV 1 OR { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 351} (( segid " " and resid 123 and name HN )) ( segid " " and resid 105 and name HG1%) 2.200 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.30293E-02 ppm1 8.141 ppm2 0.861 CV 1 ASSI { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.300 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 9.739 ppm2 0.844 CV 1 OR { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) ASSI { 362} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.28910E-02 ppm1 8.254 ppm2 4.099 CV 1 ASSI { 365} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.28767E-02 ppm1 8.921 ppm2 4.347 CV 1 ASSI { 369} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.600 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.28077E-02 ppm1 8.363 ppm2 2.560 CV 1 ASSI { 370} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.27964E-02 ppm1 8.473 ppm2 0.731 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.27922E-02 ppm1 7.475 ppm2 4.179 CV 1 ASSI { 373} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.27649E-02 ppm1 8.362 ppm2 2.667 CV 1 ASSI { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) 3.700 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.27567E-02 ppm1 8.329 ppm2 2.617 CV 1 OR { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB3 )) ASSI { 376} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.27075E-02 ppm1 8.350 ppm2 1.900 CV 1 ASSI { 378} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.26858E-02 ppm1 9.062 ppm2 1.771 CV 1 ASSI { 383} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.26326E-02 ppm1 8.442 ppm2 4.445 CV 1 ASSI { 384} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 1.700 0.300 0.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.26243E-02 ppm1 9.154 ppm2 7.470 CV 1 ASSI { 386} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.26198E-02 ppm1 8.309 ppm2 2.050 CV 1 ASSI { 387} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.25877E-02 ppm1 8.677 ppm2 1.281 CV 1 ASSI { 390} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HA )) 3.500 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.25304E-02 ppm1 8.350 ppm2 5.220 CV 1 ASSI { 391} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB3 )) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25242E-02 ppm1 7.703 ppm2 2.992 CV 1 ASSI { 392} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HN )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.25175E-02 ppm1 7.830 ppm2 9.124 CV 1 ASSI { 393} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.25044E-02 ppm1 9.074 ppm2 0.722 CV 1 ASSI { 394} (( segid " " and resid 139 and name HN )) ( segid " " and resid 125 and name HG2%) 2.900 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.24966E-02 ppm1 8.923 ppm2 0.419 CV 1 ASSI { 395} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG2 )) 3.300 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.24924E-02 ppm1 7.578 ppm2 2.337 CV 1 ASSI { 396} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.24919E-02 ppm1 8.244 ppm2 4.567 CV 1 ASSI { 398} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB3 )) 2.500 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.24723E-02 ppm1 9.127 ppm2 1.763 CV 1 ASSI { 401} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.900 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.24563E-02 ppm1 8.238 ppm2 1.510 CV 1 ASSI { 402} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) 3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.24441E-02 ppm1 8.759 ppm2 1.962 CV 1 ASSI { 407} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23924E-02 ppm1 8.362 ppm2 7.049 CV 1 ASSI { 408} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB3 )) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.23705E-02 ppm1 7.443 ppm2 2.823 CV 1 ASSI { 409} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.23693E-02 ppm1 7.475 ppm2 4.023 CV 1 ASSI { 411} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB3 )) 3.400 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.23592E-02 ppm1 7.341 ppm2 2.642 CV 1 ASSI { 412} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 8.979 ppm2 4.436 CV 1 ASSI { 414} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.300 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 8.758 ppm2 2.893 CV 1 ASSI { 415} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.23067E-02 ppm1 8.311 ppm2 2.346 CV 1 ASSI { 417} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HA )) 2.600 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.22821E-02 ppm1 9.075 ppm2 5.047 CV 1 ASSI { 422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22329E-02 ppm1 8.979 ppm2 3.834 CV 1 ASSI { 424} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.22247E-02 ppm1 8.812 ppm2 1.973 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) 3.000 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.22089E-02 ppm1 8.453 ppm2 0.745 CV 1 ASSI { 431} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.21775E-02 ppm1 7.544 ppm2 3.740 CV 1 ASSI { 432} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.21760E-02 ppm1 7.475 ppm2 3.743 CV 1 ASSI { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.21693E-02 ppm1 8.599 ppm2 3.932 CV 1 OR { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 435} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) 3.600 1.700 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.21485E-02 ppm1 9.072 ppm2 1.282 CV 1 ASSI { 437} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.21201E-02 ppm1 8.243 ppm2 1.815 CV 1 ASSI { 438} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21119E-02 ppm1 7.876 ppm2 1.276 CV 1 ASSI { 441} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA1 )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.20945E-02 ppm1 9.533 ppm2 3.859 CV 1 ASSI { 445} (( segid " " and resid 145 and name HN )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.20784E-02 ppm1 8.979 ppm2 9.534 CV 1 ASSI { 446} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.20741E-02 ppm1 7.544 ppm2 8.360 CV 1 ASSI { 451} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.300 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.20212E-02 ppm1 8.428 ppm2 2.470 CV 1 ASSI { 453} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.600 1.600 1.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.20115E-02 ppm1 7.374 ppm2 2.916 CV 1 ASSI { 457} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.19829E-02 ppm1 8.599 ppm2 4.670 CV 1 ASSI { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.19792E-02 ppm1 7.500 ppm2 0.789 CV 1 OR { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) ASSI { 459} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19790E-02 ppm1 7.500 ppm2 1.462 CV 1 ASSI { 460} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.600 1.600 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.19778E-02 ppm1 8.973 ppm2 2.972 CV 1 ASSI { 462} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.19557E-02 ppm1 9.153 ppm2 1.923 CV 1 ASSI { 463} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB3 )) 4.200 2.200 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 7.079 ppm2 2.992 CV 1 ASSI { 464} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HB3 )) 3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19339E-02 ppm1 10.056 ppm2 1.720 CV 1 ASSI { 465} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HE% ) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19277E-02 ppm1 9.533 ppm2 6.855 CV 1 ASSI { 469} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19114E-02 ppm1 7.374 ppm2 4.561 CV 1 ASSI { 471} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.19098E-02 ppm1 8.238 ppm2 1.607 CV 1 ASSI { 472} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD% ) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.19089E-02 ppm1 9.121 ppm2 6.830 CV 1 ASSI { 473} (( segid " " and resid 141 and name HD21)) ( segid " " and resid 105 and name HG1%) 2.300 2.300 3.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.19084E-02 ppm1 7.702 ppm2 0.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD2%) 3.700 1.700 1.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.18970E-02 ppm1 8.159 ppm2 0.774 CV 1 OR { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD1%) ASSI { 477} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 7.442 ppm2 2.693 CV 1 ASSI { 478} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.300 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 9.121 ppm2 2.049 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) 3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.18732E-02 ppm1 8.243 ppm2 1.537 CV 1 OR { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) ASSI { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.18695E-02 ppm1 8.306 ppm2 3.822 CV 1 OR { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 481} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.500 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 8.472 ppm2 2.892 CV 1 ASSI { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 8.244 ppm2 2.181 CV 1 OR { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 483} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 3.300 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18511E-02 ppm1 7.402 ppm2 4.728 CV 1 ASSI { 485} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.18389E-02 ppm1 9.027 ppm2 4.218 CV 1 ASSI { 486} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.18334E-02 ppm1 8.472 ppm2 1.951 CV 1 ASSI { 487} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.18332E-02 ppm1 8.441 ppm2 1.722 CV 1 ASSI { 490} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.18211E-02 ppm1 8.602 ppm2 2.015 CV 1 ASSI { 493} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.600 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 8.141 ppm2 3.426 CV 1 ASSI { 494} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 8.141 ppm2 9.095 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17979E-02 ppm1 7.392 ppm2 4.205 CV 1 ASSI { 498} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG12)) 3.800 1.800 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.17912E-02 ppm1 7.125 ppm2 1.290 CV 1 ASSI { 500} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17800E-02 ppm1 7.526 ppm2 8.358 CV 1 ASSI { 501} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 7.978 ppm2 4.786 CV 1 ASSI { 502} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.17702E-02 ppm1 8.973 ppm2 2.619 CV 1 ASSI { 503} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.500 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.17694E-02 ppm1 7.829 ppm2 3.494 CV 1 ASSI { 504} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.17628E-02 ppm1 8.545 ppm2 5.017 CV 1 ASSI { 505} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.900 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 7.879 ppm2 4.564 CV 1 ASSI { 506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG12)) 3.600 1.600 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 8.678 ppm2 1.109 CV 1 ASSI { 507} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.17488E-02 ppm1 8.362 ppm2 2.838 CV 1 ASSI { 508} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 8.427 ppm2 4.380 CV 1 ASSI { 509} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 9.128 ppm2 4.673 CV 1 ASSI { 511} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HD% ) 3.700 1.700 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.17294E-02 ppm1 7.500 ppm2 7.047 CV 1 ASSI { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD2%) 3.500 1.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 8.544 ppm2 0.740 CV 1 OR { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD1%) ASSI { 518} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 9.062 ppm2 0.745 CV 1 ASSI { 519} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 3.200 1.200 1.200 peak 519 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 7.398 ppm2 5.176 CV 1 ASSI { 520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 7.830 ppm2 4.112 CV 1 ASSI { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.300 2.300 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 8.974 ppm2 1.512 CV 1 OR { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 523} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HD1%) 4.400 2.400 1.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 7.545 ppm2 0.688 CV 1 ASSI { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB3 )) 4.300 2.400 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 7.474 ppm2 1.763 CV 1 OR { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 525} (( segid " " and resid 139 and name HN )) (( segid " " and resid 126 and name HN )) 3.100 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.16698E-02 ppm1 8.923 ppm2 7.969 CV 1 ASSI { 529} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HG2%) 5.000 3.100 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16506E-02 ppm1 9.004 ppm2 0.779 CV 1 ASSI { 530} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HG2%) 4.100 2.100 1.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16273E-02 ppm1 9.532 ppm2 0.723 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.16236E-02 ppm1 9.026 ppm2 2.503 CV 1 ASSI { 532} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HE3 )) 2.900 2.900 3.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 8.141 ppm2 2.898 CV 1 OR { 532} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HE2 )) ASSI { 533} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 9.127 ppm2 1.172 CV 1 ASSI { 534} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 8.350 ppm2 1.723 CV 1 ASSI { 536} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 8.442 ppm2 5.463 CV 1 ASSI { 537} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.16057E-02 ppm1 9.072 ppm2 4.583 CV 1 ASSI { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB2 )) 3.400 1.500 1.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.16054E-02 ppm1 8.971 ppm2 1.514 CV 1 OR { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 542} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15964E-02 ppm1 7.374 ppm2 2.290 CV 1 ASSI { 543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.15867E-02 ppm1 8.349 ppm2 3.986 CV 1 ASSI { 544} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.15856E-02 ppm1 8.435 ppm2 1.441 CV 1 ASSI { 547} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.700 1.700 1.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 8.158 ppm2 2.002 CV 1 ASSI { 549} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 4.000 2.000 2.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.15720E-02 ppm1 8.239 ppm2 0.778 CV 1 ASSI { 550} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 140 and name HG )) 4.600 2.600 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.15656E-02 ppm1 7.079 ppm2 1.445 CV 1 ASSI { 551} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 8.602 ppm2 2.491 CV 1 ASSI { 552} (( segid " " and resid 137 and name HN )) (( segid " " and resid 129 and name HN )) 3.600 1.600 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 8.759 ppm2 7.466 CV 1 ASSI { 553} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.300 2.300 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.15543E-02 ppm1 8.310 ppm2 1.882 CV 1 ASSI { 555} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG3 )) 3.100 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 7.578 ppm2 2.521 CV 1 ASSI { 556} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.100 3.100 2.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 8.060 ppm2 3.928 CV 1 ASSI { 557} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.100 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 8.544 ppm2 2.103 CV 1 ASSI { 558} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HG )) 3.300 1.400 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15313E-02 ppm1 7.703 ppm2 1.445 CV 1 ASSI { 560} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.15023E-02 ppm1 8.676 ppm2 4.295 CV 1 ASSI { 562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 8.311 ppm2 2.754 CV 1 ASSI { 563} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.14990E-02 ppm1 8.599 ppm2 0.759 CV 1 ASSI { 565} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 8.921 ppm2 0.694 CV 1 ASSI { 566} (( segid " " and resid 149 and name HN )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 7.525 ppm2 4.782 CV 1 ASSI { 570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 8.677 ppm2 5.385 CV 1 ASSI { 573} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 9.739 ppm2 8.469 CV 1 ASSI { 578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA2 )) 3.700 1.700 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 9.153 ppm2 5.238 CV 1 ASSI { 579} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 8.426 ppm2 1.279 CV 1 ASSI { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG3 )) 3.600 1.700 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14465E-02 ppm1 8.360 ppm2 2.193 CV 1 OR { 580} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 581} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 9.005 ppm2 4.145 CV 1 ASSI { 584} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.14295E-02 ppm1 8.922 ppm2 5.048 CV 1 ASSI { 586} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB3 )) 4.700 2.700 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.14183E-02 ppm1 6.587 ppm2 2.823 CV 1 ASSI { 587} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 9.121 ppm2 5.184 CV 1 ASSI { 589} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.000 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.14119E-02 ppm1 8.691 ppm2 5.354 CV 1 ASSI { 590} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA2 )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.14064E-02 ppm1 8.362 ppm2 3.952 CV 1 ASSI { 591} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.14026E-02 ppm1 9.074 ppm2 4.194 CV 1 ASSI { 592} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 7.526 ppm2 1.595 CV 1 ASSI { 595} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) 3.900 1.900 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 9.128 ppm2 5.457 CV 1 ASSI { 596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13900E-02 ppm1 7.545 ppm2 4.705 CV 1 ASSI { 598} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.13819E-02 ppm1 8.968 ppm2 5.017 CV 1 ASSI { 599} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD2%) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.13815E-02 ppm1 9.061 ppm2 0.466 CV 1 ASSI { 602} (( segid " " and resid 127 and name HN )) (( segid " " and resid 102 and name HA )) 3.600 1.600 1.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 9.005 ppm2 5.354 CV 1 ASSI { 603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.13573E-02 ppm1 8.255 ppm2 2.288 CV 1 ASSI { 604} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 3.000 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.13561E-02 ppm1 8.974 ppm2 5.388 CV 1 ASSI { 605} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HA )) 4.100 2.100 1.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 8.968 ppm2 4.795 CV 1 ASSI { 608} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HN )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 9.118 ppm2 8.463 CV 1 ASSI { 609} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG2%) 3.700 1.700 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 7.526 ppm2 0.676 CV 1 ASSI { 613} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 8.677 ppm2 8.974 CV 1 ASSI { 614} (( segid " " and resid 145 and name HN )) (( segid " " and resid 139 and name HA )) 3.700 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 8.978 ppm2 5.043 CV 1 ASSI { 615} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HD1%) 4.200 2.200 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 8.363 ppm2 0.682 CV 1 ASSI { 616} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.400 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 8.542 ppm2 8.230 CV 1 ASSI { 619} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG2 )) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 6.777 ppm2 2.328 CV 1 ASSI { 621} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 8.599 ppm2 1.629 CV 1 ASSI { 624} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 7.374 ppm2 4.194 CV 1 ASSI { 627} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 8.599 ppm2 2.873 CV 1 ASSI { 632} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12610E-02 ppm1 7.392 ppm2 2.684 CV 1 ASSI { 633} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HE3 )) 3.900 2.000 2.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 9.121 ppm2 6.991 CV 1 ASSI { 634} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HN )) 3.200 1.300 1.300 peak 634 spectrum 1 weight 0.10000E+01 volume 0.12529E-02 ppm1 8.862 ppm2 8.604 CV 1 ASSI { 638} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HG12)) 2.400 2.400 3.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 8.922 ppm2 1.280 CV 1 ASSI { 640} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.700 1.700 1.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 8.863 ppm2 3.621 CV 1 OR { 640} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 642} (( segid " " and resid 138 and name HN )) (( segid " " and resid 146 and name HA )) 3.300 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12414E-02 ppm1 9.533 ppm2 5.874 CV 1 ASSI { 643} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.900 1.000 1.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 7.125 ppm2 5.047 CV 1 ASSI { 646} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 8.351 ppm2 7.074 CV 1 ASSI { 650} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 2.900 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.313 ppm2 2.044 CV 1 ASSI { 653} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 8.861 ppm2 0.755 CV 1 ASSI { 654} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB3 )) 4.400 2.400 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.11862E-02 ppm1 6.601 ppm2 2.643 CV 1 ASSI { 655} (( segid " " and resid 144 and name HN )) ( segid " " and resid 139 and name HG2%) 3.400 1.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 8.434 ppm2 0.735 CV 1 ASSI { 656} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.900 1.900 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 7.402 ppm2 2.674 CV 1 ASSI { 657} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.100 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.11725E-02 ppm1 8.471 ppm2 5.216 CV 1 ASSI { 659} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 8.474 ppm2 4.686 CV 1 ASSI { 660} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.11631E-02 ppm1 7.404 ppm2 2.796 CV 1 ASSI { 667} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 9.121 ppm2 2.648 CV 1 ASSI { 668} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 4.400 2.400 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 7.392 ppm2 2.819 CV 1 ASSI { 669} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) 4.100 2.100 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.11300E-02 ppm1 8.973 ppm2 2.005 CV 1 OR { 669} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 673} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.800 2.900 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 8.244 ppm2 2.659 CV 1 ASSI { 674} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.500 2.600 1.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11168E-02 ppm1 8.363 ppm2 1.198 CV 1 ASSI { 675} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.100 2.100 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 8.362 ppm2 4.063 CV 1 ASSI { 677} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 3.700 1.700 1.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.11110E-02 ppm1 8.363 ppm2 3.701 CV 1 ASSI { 680} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 8.060 ppm2 4.086 CV 1 ASSI { 681} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 2.500 3.500 peak 681 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 7.403 ppm2 4.509 CV 1 ASSI { 684} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.100 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 8.813 ppm2 5.872 CV 1 ASSI { 685} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA1 )) 3.800 1.800 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10999E-02 ppm1 8.364 ppm2 3.549 CV 1 ASSI { 686} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 3.000 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.10931E-02 ppm1 9.111 ppm2 3.756 CV 1 ASSI { 687} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB2 )) 4.500 2.600 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10867E-02 ppm1 6.587 ppm2 2.692 CV 1 ASSI { 691} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 9.532 ppm2 1.750 CV 1 OR { 691} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 694} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.700 1.700 1.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10736E-02 ppm1 7.545 ppm2 4.520 CV 1 ASSI { 695} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 7.500 ppm2 2.873 CV 1 ASSI { 696} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.700 1.700 1.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 8.541 ppm2 1.810 CV 1 ASSI { 697} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) 3.500 3.500 2.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 8.758 ppm2 4.293 CV 1 ASSI { 699} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.400 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 8.544 ppm2 1.932 CV 1 ASSI { 701} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG3 )) 3.500 1.600 1.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 7.977 ppm2 2.212 CV 1 ASSI { 703} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG3 )) 4.100 2.100 1.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 6.778 ppm2 2.525 CV 1 ASSI { 707} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 3.500 1.500 1.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 7.125 ppm2 1.818 CV 1 ASSI { 717} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.400 2.500 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 9.739 ppm2 2.992 CV 1 ASSI { 718} (( segid " " and resid 153 and name HN )) ( segid " " and resid 106 and name HB% ) 3.900 1.900 1.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.99551E-03 ppm1 9.072 ppm2 0.853 CV 1 ASSI { 719} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HN )) 4.400 2.400 1.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.99545E-03 ppm1 8.575 ppm2 7.409 CV 1 ASSI { 720} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 720 spectrum 1 weight 0.10000E+01 volume 0.99153E-03 ppm1 8.060 ppm2 8.445 CV 1 ASSI { 721} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG2 )) 4.300 2.300 1.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.99030E-03 ppm1 8.161 ppm2 2.182 CV 1 OR { 721} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 723} (( segid " " and resid 103 and name HN )) ( segid " " and resid 127 and name HG1%) 4.100 2.100 1.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.98754E-03 ppm1 8.968 ppm2 1.137 CV 1 ASSI { 724} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.98618E-03 ppm1 7.375 ppm2 6.933 CV 1 ASSI { 725} (( segid " " and resid 117 and name HN )) (( segid " " and resid 146 and name HN )) 4.000 2.000 2.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.98541E-03 ppm1 8.425 ppm2 8.815 CV 1 ASSI { 727} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.700 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.98158E-03 ppm1 7.525 ppm2 2.182 CV 1 ASSI { 730} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HB2 )) 4.200 2.200 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.96801E-03 ppm1 7.854 ppm2 1.515 CV 1 ASSI { 731} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.000 2.000 2.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.96695E-03 ppm1 7.876 ppm2 3.621 CV 1 OR { 731} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 733} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.95325E-03 ppm1 9.740 ppm2 1.447 CV 1 ASSI { 735} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.94777E-03 ppm1 8.978 ppm2 3.961 CV 1 ASSI { 738} (( segid " " and resid 155 and name HN )) (( segid " " and resid 104 and name HN )) 4.000 2.000 2.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.93916E-03 ppm1 8.544 ppm2 8.951 CV 1 ASSI { 739} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 4.600 2.600 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.93492E-03 ppm1 8.545 ppm2 2.372 CV 1 ASSI { 743} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA1 )) 4.500 2.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.93061E-03 ppm1 9.154 ppm2 3.863 CV 1 ASSI { 745} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.92510E-03 ppm1 9.118 ppm2 5.041 CV 1 ASSI { 751} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HG2 )) 3.700 3.700 2.300 peak 751 spectrum 1 weight 0.10000E+01 volume 0.91270E-03 ppm1 8.282 ppm2 2.182 CV 1 OR { 751} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 752} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG3 )) 4.100 2.100 1.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.91238E-03 ppm1 8.310 ppm2 2.207 CV 1 ASSI { 753} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.600 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.91127E-03 ppm1 9.739 ppm2 2.727 CV 1 ASSI { 755} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.90259E-03 ppm1 7.126 ppm2 4.708 CV 1 ASSI { 757} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.600 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.89926E-03 ppm1 9.027 ppm2 4.709 CV 1 ASSI { 761} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) 4.400 2.400 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.88964E-03 ppm1 7.829 ppm2 5.054 CV 1 ASSI { 766} (( segid " " and resid 101 and name HN )) (( segid " " and resid 127 and name HN )) 3.300 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.88504E-03 ppm1 8.488 ppm2 9.002 CV 1 ASSI { 767} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.88391E-03 ppm1 8.863 ppm2 1.627 CV 1 ASSI { 768} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 4.100 2.100 1.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.88329E-03 ppm1 8.254 ppm2 6.926 CV 1 ASSI { 769} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.400 1.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.88239E-03 ppm1 8.968 ppm2 2.618 CV 1 ASSI { 770} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HG1%) 4.200 2.200 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.88116E-03 ppm1 7.976 ppm2 1.114 CV 1 ASSI { 772} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.900 1.900 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.86723E-03 ppm1 9.109 ppm2 1.690 CV 1 ASSI { 773} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB3 )) 4.300 2.300 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.86648E-03 ppm1 9.062 ppm2 2.752 CV 1 ASSI { 775} (( segid " " and resid 105 and name HN )) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.86331E-03 ppm1 9.110 ppm2 4.835 CV 1 ASSI { 776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.300 1.400 1.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.85936E-03 ppm1 8.980 ppm2 1.427 CV 1 ASSI { 778} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.800 1.800 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.85586E-03 ppm1 9.005 ppm2 1.663 CV 1 OR { 778} (( segid " " and resid 127 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 779} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HA )) 3.500 3.500 2.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.85324E-03 ppm1 10.055 ppm2 4.290 CV 1 ASSI { 783} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.200 2.200 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.84883E-03 ppm1 9.004 ppm2 1.506 CV 1 OR { 783} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 784} (( segid " " and resid 146 and name HN )) (( segid " " and resid 117 and name HB3 )) 4.400 2.500 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.84812E-03 ppm1 8.812 ppm2 1.432 CV 1 ASSI { 790} (( segid " " and resid 136 and name HN )) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.83928E-03 ppm1 8.472 ppm2 3.697 CV 1 ASSI { 792} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.100 2.100 1.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.83212E-03 ppm1 7.123 ppm2 4.518 CV 1 ASSI { 796} (( segid " " and resid 153 and name HN )) (( segid " " and resid 105 and name HA )) 4.000 2.000 2.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.82565E-03 ppm1 9.074 ppm2 3.757 CV 1 ASSI { 797} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.600 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.82526E-03 ppm1 7.977 ppm2 1.278 CV 1 ASSI { 798} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB3 )) 4.700 2.800 1.300 peak 798 spectrum 1 weight 0.10000E+01 volume 0.82160E-03 ppm1 8.474 ppm2 2.476 CV 1 ASSI { 801} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG13)) 4.100 2.100 1.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.81434E-03 ppm1 8.153 ppm2 1.560 CV 1 ASSI { 808} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 3.300 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.80796E-03 ppm1 8.058 ppm2 9.062 CV 1 ASSI { 810} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD2%) 3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.80583E-03 ppm1 8.862 ppm2 0.467 CV 1 ASSI { 812} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.500 1.500 1.500 peak 812 spectrum 1 weight 0.10000E+01 volume 0.80482E-03 ppm1 8.968 ppm2 2.980 CV 1 ASSI { 813} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD1%) 2.700 2.700 3.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.80187E-03 ppm1 6.778 ppm2 0.790 CV 1 OR { 813} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD2%) ASSI { 815} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 4.600 2.600 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.79562E-03 ppm1 8.363 ppm2 4.709 CV 1 ASSI { 818} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB3 )) 5.900 4.300 0.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.78617E-03 ppm1 8.244 ppm2 2.852 CV 1 ASSI { 819} (( segid " " and resid 107 and name HN )) (( segid " " and resid 152 and name HA )) 4.400 2.400 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.78552E-03 ppm1 7.374 ppm2 5.045 CV 1 ASSI { 821} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.300 2.300 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.78270E-03 ppm1 8.488 ppm2 8.696 CV 1 ASSI { 823} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.500 2.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.77775E-03 ppm1 8.679 ppm2 1.783 CV 1 ASSI { 828} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.76217E-03 ppm1 7.501 ppm2 8.605 CV 1 ASSI { 831} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.900 1.900 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.75666E-03 ppm1 8.542 ppm2 1.678 CV 1 ASSI { 833} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HA )) 4.900 3.000 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.75109E-03 ppm1 10.056 ppm2 5.219 CV 1 ASSI { 835} (( segid " " and resid 139 and name HN )) (( segid " " and resid 127 and name HA )) 3.400 1.500 1.500 peak 835 spectrum 1 weight 0.10000E+01 volume 0.74837E-03 ppm1 8.922 ppm2 4.146 CV 1 ASSI { 836} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.74747E-03 ppm1 8.254 ppm2 7.364 CV 1 ASSI { 847} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.73526E-03 ppm1 8.247 ppm2 7.072 CV 1 ASSI { 850} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.72978E-03 ppm1 7.830 ppm2 4.347 CV 1 ASSI { 852} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.400 2.400 1.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.72791E-03 ppm1 8.689 ppm2 8.963 CV 1 ASSI { 854} (( segid " " and resid 103 and name HN )) (( segid " " and resid 125 and name HB )) 3.400 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.72379E-03 ppm1 8.971 ppm2 1.283 CV 1 ASSI { 856} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.72130E-03 ppm1 8.472 ppm2 2.665 CV 1 ASSI { 859} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.200 2.200 1.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.71288E-03 ppm1 8.442 ppm2 1.721 CV 1 ASSI { 860} (( segid " " and resid 135 and name HN )) (( segid " " and resid 130 and name HB3 )) 4.200 2.200 1.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.71265E-03 ppm1 8.358 ppm2 1.715 CV 1 ASSI { 865} (( segid " " and resid 104 and name HN )) (( segid " " and resid 154 and name HA )) 5.000 3.100 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.70766E-03 ppm1 8.972 ppm2 4.350 CV 1 ASSI { 868} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 9.118 ppm2 2.987 CV 1 ASSI { 870} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.300 2.300 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.69562E-03 ppm1 8.472 ppm2 2.996 CV 1 ASSI { 871} (( segid " " and resid 138 and name HN )) ( segid " " and resid 127 and name HG1%) 3.500 1.600 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.69465E-03 ppm1 9.532 ppm2 1.120 CV 1 ASSI { 879} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 149 and name HB3 )) 3.800 1.800 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.68768E-03 ppm1 10.055 ppm2 2.182 CV 1 ASSI { 886} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.400 2.400 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.67583E-03 ppm1 8.138 ppm2 2.013 CV 1 ASSI { 891} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.500 2.500 1.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.66935E-03 ppm1 7.527 ppm2 1.198 CV 1 ASSI { 895} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.66527E-03 ppm1 8.864 ppm2 2.874 CV 1 ASSI { 896} (( segid " " and resid 119 and name HN )) ( segid " " and resid 109 and name HD% ) 4.000 2.000 2.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.66359E-03 ppm1 8.862 ppm2 7.045 CV 1 ASSI { 901} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HG )) 4.500 2.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.65264E-03 ppm1 8.597 ppm2 1.850 CV 1 ASSI { 903} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 3.900 1.900 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.65083E-03 ppm1 8.343 ppm2 7.463 CV 1 ASSI { 905} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 4.500 2.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.64681E-03 ppm1 8.255 ppm2 8.610 CV 1 ASSI { 907} (( segid " " and resid 139 and name HN )) ( segid " " and resid 127 and name HG1%) 4.000 2.000 2.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.64409E-03 ppm1 8.923 ppm2 1.126 CV 1 ASSI { 910} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) 4.200 2.200 1.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.63713E-03 ppm1 9.874 ppm2 2.653 CV 1 ASSI { 914} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG3 )) 4.500 2.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.62689E-03 ppm1 9.007 ppm2 2.209 CV 1 ASSI { 919} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HB )) 4.900 3.000 1.100 peak 919 spectrum 1 weight 0.10000E+01 volume 0.62006E-03 ppm1 8.239 ppm2 1.794 CV 1 ASSI { 920} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.61922E-03 ppm1 8.430 ppm2 7.400 CV 1 ASSI { 923} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB3 )) 3.800 1.800 1.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.61770E-03 ppm1 7.578 ppm2 1.321 CV 1 ASSI { 926} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HA )) 4.200 2.200 1.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.61439E-03 ppm1 8.158 ppm2 4.561 CV 1 ASSI { 931} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 4.000 2.000 2.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.60714E-03 ppm1 7.875 ppm2 8.852 CV 1 ASSI { 938} (( segid " " and resid 153 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.300 2.400 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.60179E-03 ppm1 9.071 ppm2 2.617 CV 1 ASSI { 941} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.60141E-03 ppm1 9.061 ppm2 2.346 CV 1 ASSI { 942} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HN )) 5.400 3.700 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.60099E-03 ppm1 9.111 ppm2 8.447 CV 1 ASSI { 945} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HA )) 3.500 1.500 1.500 peak 945 spectrum 1 weight 0.10000E+01 volume 0.59797E-03 ppm1 7.579 ppm2 4.205 CV 1 ASSI { 948} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.200 0.600 0.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.347 ppm2 1.801 CV 1 ASSI { 953} (( segid " " and resid 135 and name HN )) ( segid " " and resid 128 and name HG1%) 4.200 2.200 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 8.364 ppm2 0.844 CV 1 ASSI { 956} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD21)) 4.500 2.500 1.500 peak 956 spectrum 1 weight 0.10000E+01 volume 0.59169E-03 ppm1 8.362 ppm2 7.319 CV 1 ASSI { 958} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.800 2.800 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.59065E-03 ppm1 9.739 ppm2 1.175 CV 1 ASSI { 960} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.300 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.58881E-03 ppm1 7.545 ppm2 2.643 CV 1 ASSI { 962} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HA )) 4.500 2.600 1.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.58512E-03 ppm1 8.244 ppm2 5.219 CV 1 ASSI { 964} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HA )) 4.600 2.700 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.58379E-03 ppm1 9.122 ppm2 4.785 CV 1 ASSI { 966} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.300 2.300 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.58243E-03 ppm1 8.920 ppm2 1.518 CV 1 OR { 966} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 967} (( segid " " and resid 145 and name HN )) (( segid " " and resid 137 and name HA )) 4.400 2.400 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.58042E-03 ppm1 8.979 ppm2 5.204 CV 1 ASSI { 970} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 112 and name HB2 )) 4.200 2.200 1.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 7.438 ppm2 2.000 CV 1 ASSI { 972} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HG1%) 4.600 2.700 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.57530E-03 ppm1 9.153 ppm2 1.142 CV 1 ASSI { 976} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.400 2.400 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.57300E-03 ppm1 8.362 ppm2 2.196 CV 1 ASSI { 979} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.56734E-03 ppm1 8.923 ppm2 8.536 CV 1 ASSI { 985} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.900 1.000 1.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.346 ppm2 1.702 CV 1 ASSI { 990} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) 4.900 3.000 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.55649E-03 ppm1 9.741 ppm2 1.765 CV 1 ASSI { 993} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.100 2.100 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.55383E-03 ppm1 8.472 ppm2 2.725 CV 1 ASSI { 996} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 4.700 2.800 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.55270E-03 ppm1 8.922 ppm2 4.294 CV 1 ASSI { 998} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.55131E-03 ppm1 7.343 ppm2 4.514 CV 1 ASSI { 999} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 132 and name HB2 )) 4.700 2.700 1.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.54956E-03 ppm1 9.876 ppm2 2.018 CV 1 ASSI { 1000} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.54933E-03 ppm1 7.444 ppm2 4.694 CV 1 ASSI { 1002} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HB3 )) 4.400 2.500 1.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.54784E-03 ppm1 8.348 ppm2 2.878 CV 1 ASSI { 1005} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 133 and name HA )) 4.400 2.400 1.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.54515E-03 ppm1 10.055 ppm2 4.054 CV 1 ASSI { 1008} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.54033E-03 ppm1 7.829 ppm2 2.720 CV 1 ASSI { 1011} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.400 2.400 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.53832E-03 ppm1 8.350 ppm2 1.513 CV 1 ASSI { 1014} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB2 )) 3.400 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.53557E-03 ppm1 7.575 ppm2 2.002 CV 1 ASSI { 1016} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.53165E-03 ppm1 8.675 ppm2 -0.170 CV 1 ASSI { 1022} (( segid " " and resid 152 and name HN )) ( segid " " and resid 109 and name HE% ) 2.800 2.800 3.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.52608E-03 ppm1 7.124 ppm2 6.874 CV 1 ASSI { 1029} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG3 )) 4.600 2.700 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.51711E-03 ppm1 8.540 ppm2 1.531 CV 1 OR { 1029} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 1033} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.600 1.700 1.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.51387E-03 ppm1 7.392 ppm2 8.551 CV 1 ASSI { 1034} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.400 2.400 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.51374E-03 ppm1 8.977 ppm2 8.820 CV 1 ASSI { 1039} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD1%) 2.900 2.900 3.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.50894E-03 ppm1 7.579 ppm2 0.784 CV 1 OR { 1039} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD2%) ASSI { 1045} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.200 2.200 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.49997E-03 ppm1 8.978 ppm2 2.063 CV 1 ASSI { 1046} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.800 2.800 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.49991E-03 ppm1 8.921 ppm2 9.535 CV 1 ASSI { 1048} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.49764E-03 ppm1 7.703 ppm2 4.362 CV 1 ASSI { 1053} (( segid " " and resid 138 and name HN )) ( segid " " and resid 125 and name HG2%) 4.800 2.900 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.49405E-03 ppm1 9.533 ppm2 0.422 CV 1 ASSI { 1059} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.48880E-03 ppm1 8.427 ppm2 7.869 CV 1 ASSI { 1062} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.100 1.200 1.200 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.278 ppm2 1.784 CV 1 ASSI { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HG2 )) 5.500 3.800 0.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.48307E-03 ppm1 8.968 ppm2 1.963 CV 1 OR { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB2 )) OR { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB3 )) ASSI { 1073} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.47782E-03 ppm1 8.362 ppm2 1.595 CV 1 ASSI { 1077} (( segid " " and resid 128 and name HN )) (( segid " " and resid 139 and name HN )) 5.600 4.000 0.400 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.47277E-03 ppm1 9.154 ppm2 8.932 CV 1 ASSI { 1083} (( segid " " and resid 107 and name HN )) (( segid " " and resid 151 and name HA )) 4.400 2.400 1.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.46862E-03 ppm1 7.376 ppm2 4.720 CV 1 ASSI { 1086} (( segid " " and resid 117 and name HN )) ( segid " " and resid 109 and name HE% ) 4.700 2.800 1.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.46801E-03 ppm1 8.429 ppm2 6.862 CV 1 ASSI { 1087} (( segid " " and resid 138 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.46788E-03 ppm1 9.532 ppm2 5.449 CV 1 ASSI { 1091} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HA )) 5.300 3.500 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.46322E-03 ppm1 6.778 ppm2 4.225 CV 1 ASSI { 1092} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.700 0.900 0.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.346 ppm2 1.749 CV 1 ASSI { 1096} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.200 0.600 0.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.545 ppm2 4.466 CV 1 ASSI { 1099} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 134 and name HA2 )) 4.300 2.300 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.45706E-03 ppm1 9.876 ppm2 3.951 CV 1 ASSI { 1101} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.600 2.600 1.400 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.45661E-03 ppm1 8.245 ppm2 1.518 CV 1 ASSI { 1113} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HA )) 4.700 2.800 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.45000E-03 ppm1 7.080 ppm2 4.367 CV 1 ASSI { 1121} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HD% ) 3.300 1.400 1.400 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.60633E-02 ppm1 8.599 ppm2 7.041 CV 1 ASSI { 1125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.100 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.677 ppm2 8.303 CV 1 ASSI { 1126} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.677 ppm2 7.971 CV 1 ASSI { 1127} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.500 1.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 7.973 ppm2 -0.166 CV 1 ASSI { 1130} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.400 0.700 0.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.247 ppm2 8.345 CV 1 ASSI { 1132} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.247 ppm2 8.918 CV 1 ASSI { 1133} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HE1 )) 2.600 0.800 0.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.784 ppm2 10.055 CV 1 ASSI { 1135} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 2.800 2.800 3.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.473 ppm2 8.769 CV 1 ASSI { 1137} (( segid " " and resid 137 and name HN )) (( segid " " and resid 128 and name HN )) 2.400 0.700 0.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.758 ppm2 9.136 CV 1 ASSI { 1138} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 2.700 2.700 3.300 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.759 ppm2 9.520 CV 1 ASSI { 1139} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.739 ppm2 9.127 CV 1 ASSI { 1141} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HE3 )) 2.900 2.900 3.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.121 ppm2 6.478 CV 1 ASSI { 1142} (( segid " " and resid 147 and name HN )) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.122 ppm2 9.541 CV 1 ASSI { 1143} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.900 2.900 3.100 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.121 ppm2 8.802 CV 1 ASSI { 1145} (( segid " " and resid 119 and name HN )) (( segid " " and resid 108 and name HA )) 3.200 3.200 2.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.862 ppm2 4.096 CV 1 ASSI { 1147} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.005 ppm2 7.981 CV 1 ASSI { 1148} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 3.100 1.200 1.200 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.155 ppm2 8.983 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.534 ppm2 5.237 CV 1 ASSI { 1150} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.300 0.600 0.600 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 9.153 ppm2 4.187 CV 1 ASSI { 1151} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.400 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.310 ppm2 4.835 CV 1 ASSI { 1152} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD2%) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 10.054 ppm2 0.748 CV 1 OR { 1152} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD1%) ASSI { 1154} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HE% ) 3.100 3.100 2.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 7.500 ppm2 6.865 CV 1 ASSI { 1155} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.244 ppm2 4.294 CV 1 ASSI { 1156} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.600 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.244 ppm2 3.991 CV 1 ASSI { 1158} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA2 )) 2.900 1.100 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.785 ppm2 3.952 CV 1 ASSI { 1160} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.344 ppm2 1.724 CV 1 ASSI { 1161} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 3.100 3.100 2.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.327 ppm2 3.990 CV 1 ASSI { 1162} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.100 1.200 1.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 8.323 ppm2 2.002 CV 1 ASSI { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.489 ppm2 1.676 CV 1 OR { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 1165} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.500 0.800 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.486 ppm2 4.463 CV 1 ASSI { 1168} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.000 1.100 1.100 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.691 ppm2 1.585 CV 1 ASSI { 1169} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.975 ppm2 1.697 CV 1 ASSI { 1171} (( segid " " and resid 105 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.500 1.600 1.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.111 ppm2 2.759 CV 1 ASSI { 1173} (( segid " " and resid 105 and name HN )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.110 ppm2 8.670 CV 1 ASSI { 1175} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HB )) 3.100 1.200 1.200 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.075 ppm2 1.823 CV 1 ASSI { 1176} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.300 1.300 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.074 ppm2 2.163 CV 1 ASSI { 1177} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.100 3.100 2.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.599 ppm2 1.320 CV 1 OR { 1177} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 1178} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD2%) 3.500 1.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.598 ppm2 0.466 CV 1 ASSI { 1179} (( segid " " and resid 110 and name HN )) (( segid " " and resid 118 and name HG2 )) 3.100 3.100 2.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 7.500 ppm2 1.980 CV 1 ASSI { 1180} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 7.500 ppm2 4.701 CV 1 ASSI { 1181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.200 1.300 1.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.026 ppm2 2.220 CV 1 ASSI { 1182} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.026 ppm2 2.013 CV 1 ASSI { 1183} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.577 ppm2 2.820 CV 1 ASSI { 1184} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.476 ppm2 4.503 CV 1 ASSI { 1185} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.575 ppm2 2.613 CV 1 ASSI { 1186} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.576 ppm2 2.720 CV 1 ASSI { 1187} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.475 ppm2 2.622 CV 1 ASSI { 1190} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HD2%) 2.700 0.900 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 7.875 ppm2 0.466 CV 1 ASSI { 1191} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.862 ppm2 1.936 CV 1 ASSI { 1192} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.863 ppm2 1.786 CV 1 ASSI { 1195} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.062 ppm2 4.563 CV 1 ASSI { 1197} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.800 1.000 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.060 ppm2 1.771 CV 1 ASSI { 1198} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.600 0.600 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 9.062 ppm2 1.612 CV 1 ASSI { 1199} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.060 ppm2 1.614 CV 1 ASSI { 1200} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 8.143 ppm2 1.617 CV 1 ASSI { 1201} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 8.141 ppm2 4.446 CV 1 ASSI { 1203} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.900 1.900 1.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 8.312 ppm2 1.589 CV 1 ASSI { 1204} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) 2.500 0.800 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 8.312 ppm2 1.783 CV 1 ASSI { 1205} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 2.700 0.900 0.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 9.000 ppm2 0.416 CV 1 ASSI { 1207} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB )) 3.100 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.61235E-02 ppm1 9.006 ppm2 1.923 CV 1 ASSI { 1209} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.345 ppm2 4.290 CV 1 ASSI { 1211} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.245 ppm2 2.233 CV 1 ASSI { 1212} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.600 0.900 0.900 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.244 ppm2 2.005 CV 1 ASSI { 1213} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.784 ppm2 7.054 CV 1 ASSI { 1214} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB3 )) 2.600 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.912 ppm2 2.005 CV 1 ASSI { 1215} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.000 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.912 ppm2 1.960 CV 1 ASSI { 1216} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 1.400 1.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.785 ppm2 1.959 CV 1 ASSI { 1217} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG1%) 2.700 2.700 3.300 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.913 ppm2 0.857 CV 1 ASSI { 1218} (( segid " " and resid 136 and name HN )) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.471 ppm2 6.838 CV 1 ASSI { 1220} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.363 ppm2 4.789 CV 1 ASSI { 1221} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.473 ppm2 2.839 CV 1 ASSI { 1222} (( segid " " and resid 149 and name HN )) (( segid " " and resid 136 and name HN )) 2.500 0.800 0.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 7.526 ppm2 8.470 CV 1 ASSI { 1226} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.759 ppm2 5.183 CV 1 ASSI { 1229} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 9.129 ppm2 8.454 CV 1 ASSI { 1231} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.100 1.200 1.200 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.923 ppm2 0.731 CV 1 ASSI { 1232} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.473 ppm2 0.841 CV 1 ASSI { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.400 2.400 3.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.811 ppm2 2.050 CV 1 ASSI { 1238} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.500 1.600 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.811 ppm2 1.749 CV 1 OR { 1238} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1239} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.900 2.900 3.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 9.119 ppm2 2.883 CV 1 ASSI { 1240} (( segid " " and resid 147 and name HN )) ( segid " " and resid 128 and name HG1%) 1.900 1.900 4.100 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 9.121 ppm2 0.821 CV 1 ASSI { 1242} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.300 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 7.524 ppm2 2.649 CV 1 ASSI { 1243} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.363 ppm2 7.110 CV 1 ASSI { 1244} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HD% ) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 7.546 ppm2 7.035 CV 1 ASSI { 1245} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.900 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 7.545 ppm2 2.558 CV 1 ASSI { 1246} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.300 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 8.363 ppm2 2.913 CV 1 ASSI { 1248} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.900 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 7.126 ppm2 2.913 CV 1 ASSI { 1250} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.900 1.100 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 9.072 ppm2 1.704 CV 1 OR { 1250} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 1252} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.200 0.600 0.600 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.546 ppm2 2.973 CV 1 ASSI { 1253} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB3 )) 1.900 1.900 4.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.454 ppm2 2.122 CV 1 ASSI { 1254} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.500 0.800 0.800 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.454 ppm2 4.445 CV 1 ASSI { 1255} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.535 ppm2 3.853 CV 1 OR { 1255} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) ASSI { 1257} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.700 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.199 ppm2 3.820 CV 1 OR { 1257} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1258} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.536 ppm2 3.820 CV 1 OR { 1258} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.310 ppm2 4.395 CV 1 ASSI { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB3 )) 3.000 3.000 3.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.309 ppm2 2.615 CV 1 OR { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 1261} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.310 ppm2 4.257 CV 1 ASSI { 1262} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.198 ppm2 4.256 CV 1 ASSI { 1263} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.100 1.200 1.200 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.198 ppm2 2.050 CV 1 ASSI { 1266} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 2.900 1.100 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.159 ppm2 1.880 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.159 ppm2 4.227 CV 1 ASSI { 1270} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.158 ppm2 1.511 CV 1 ASSI { 1271} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.900 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.472 ppm2 7.078 CV 1 ASSI { 1272} (( segid " " and resid 151 and name HN )) ( segid " " and resid 109 and name HE% ) 1.900 1.900 4.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 7.547 ppm2 6.866 CV 1 ASSI { 1273} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 7.830 ppm2 9.723 CV 1 ASSI { 1274} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HN )) 3.600 1.600 1.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 9.875 ppm2 8.357 CV 1 ASSI { 1276} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.300 3.300 2.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.61501E-02 ppm1 8.472 ppm2 1.756 CV 1 OR { 1276} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1277} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB3 )) 3.600 1.600 1.600 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 6.778 ppm2 2.207 CV 1 ASSI { 1278} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 6.778 ppm2 2.003 CV 1 ASSI { 1280} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB3 )) 2.700 2.700 3.300 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 6.778 ppm2 1.319 CV 1 ASSI { 1281} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HB3 )) 3.000 3.000 3.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 7.702 ppm2 1.765 CV 1 ASSI { 1282} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 124 and name HB )) 1.900 1.900 4.100 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 7.078 ppm2 1.765 CV 1 ASSI { 1} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 1.963 ppm2 4.165 CV 1 ASSI { 4} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 1.856 ppm2 4.163 CV 1 ASSI { 9} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 0.779 ppm2 2.875 CV 1 ASSI { 11} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG )) 2.200 2.200 3.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 4.350 ppm2 1.470 CV 1 ASSI { 14} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 3.846 ppm2 4.122 CV 1 ASSI { 25} (( segid " " and resid 144 and name HB )) (( segid " " and resid 139 and name HA )) 2.900 2.900 3.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 3.939 ppm2 5.018 CV 1 ASSI { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD2%) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.510 ppm2 0.727 CV 1 OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD1%) OR { 27} (( segid " " and resid 155 and name HB3 )) ( segid " " and resid 155 and name HD2%) OR { 27} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD1%) ASSI { 34} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HB3 )) 1.900 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.473 ppm2 1.601 CV 1 ASSI { 37} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 -0.191 ppm2 4.272 CV 1 ASSI { 44} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 116 and name HB2 )) 2.700 2.700 3.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 2.191 ppm2 2.190 CV 1 ASSI { 48} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 1.800 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.685 ppm2 1.804 CV 1 ASSI { 50} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 4.185 ppm2 1.988 CV 1 ASSI { 54} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.900 0.400 0.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.990 ppm2 2.202 CV 1 ASSI { 58} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.939 ppm2 5.347 CV 1 OR { 58} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 69} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 2.001 ppm2 4.036 CV 1 OR { 69} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) ASSI { 73} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.906 ppm2 5.164 CV 1 ASSI { 81} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 156 and name HB2 )) 0.800 0.800 5.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.80379E+00 ppm1 3.871 ppm2 3.864 CV 1 OR { 81} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 156 and name HB3 )) OR { 81} (( segid " " and resid 157 and name HA1 )) (( segid " " and resid 156 and name HB2 )) OR { 81} (( segid " " and resid 157 and name HA1 )) (( segid " " and resid 156 and name HB3 )) ASSI { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB3 )) 1.200 0.200 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.23783E+00 ppm1 1.516 ppm2 1.514 CV 1 OR { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB2 )) ASSI { 112} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.400 1.400 4.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.20605E+00 ppm1 2.624 ppm2 2.616 CV 1 ASSI { 115} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 105 and name HG2%) 1.200 0.200 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.20118E+00 ppm1 0.717 ppm2 0.718 CV 1 ASSI { 157} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.400 0.300 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.59289E-01 ppm1 1.908 ppm2 2.005 CV 1 ASSI { 172} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.43721E-01 ppm1 2.258 ppm2 2.015 CV 1 ASSI { 173} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 1.600 1.600 4.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.42817E-01 ppm1 2.025 ppm2 1.919 CV 1 OR { 173} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 137 and name HG2 )) ASSI { 181} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HB2 )) 2.000 2.000 4.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.34180E-01 ppm1 1.918 ppm2 2.018 CV 1 ASSI { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG3 )) 1.900 0.400 0.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.27375E-01 ppm1 1.979 ppm2 2.173 CV 1 OR { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG2 )) ASSI { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 1.900 0.400 0.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.22763E-01 ppm1 1.662 ppm2 1.510 CV 1 OR { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) ASSI { 210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 152 and name HG13)) 1.400 1.400 4.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.21931E-01 ppm1 1.511 ppm2 1.412 CV 1 OR { 210} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 152 and name HG13)) ASSI { 216} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.800 0.400 0.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19861E-01 ppm1 2.592 ppm2 2.702 CV 1 ASSI { 221} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HG13)) 1.700 0.400 0.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.19124E-01 ppm1 1.052 ppm2 1.323 CV 1 ASSI { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17989E-01 ppm1 1.977 ppm2 2.194 CV 1 OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) ASSI { 227} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HG )) 1.900 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.17437E-01 ppm1 0.784 ppm2 1.464 CV 1 OR { 227} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HG )) ASSI { 245} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 128 and name HA )) 1.500 1.500 4.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15367E-01 ppm1 0.712 ppm2 4.204 CV 1 OR { 245} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 128 and name HA )) ASSI { 247} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 152 and name HG12)) 1.500 1.500 4.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.15130E-01 ppm1 1.594 ppm2 1.300 CV 1 OR { 247} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 152 and name HG12)) ASSI { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) 2.000 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14900E-01 ppm1 1.559 ppm2 1.267 CV 1 OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG3 )) OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG3 )) OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 255} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 127 and name HG2%) 1.800 0.400 0.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.14189E-01 ppm1 1.132 ppm2 0.754 CV 1 ASSI { 258} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HG3 )) 1.800 0.400 0.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.14046E-01 ppm1 2.324 ppm2 2.498 CV 1 ASSI { 261} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13918E-01 ppm1 1.696 ppm2 0.706 CV 1 ASSI { 266} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HG2%) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.13707E-01 ppm1 3.938 ppm2 1.093 CV 1 ASSI { 268} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.900 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.13456E-01 ppm1 2.973 ppm2 2.704 CV 1 ASSI { 273} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) 2.100 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.13087E-01 ppm1 1.697 ppm2 0.787 CV 1 ASSI { 281} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.100 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.12742E-01 ppm1 4.180 ppm2 0.844 CV 1 ASSI { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB3 )) 2.000 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.12146E-01 ppm1 0.829 ppm2 1.741 CV 1 OR { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB2 )) ASSI { 291} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12056E-01 ppm1 2.602 ppm2 4.534 CV 1 ASSI { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD2%) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11900E-01 ppm1 1.483 ppm2 0.740 CV 1 OR { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) ASSI { 298} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 105 and name HG2%) 2.000 0.500 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.11603E-01 ppm1 0.864 ppm2 0.716 CV 1 ASSI { 301} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HB2 )) 2.300 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11458E-01 ppm1 1.913 ppm2 1.799 CV 1 ASSI { 302} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HA )) 2.000 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 0.688 ppm2 3.743 CV 1 ASSI { 310} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 119 and name HD1%) 2.300 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.10849E-01 ppm1 0.876 ppm2 0.753 CV 1 ASSI { 313} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB2 )) 2.000 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10790E-01 ppm1 2.884 ppm2 1.600 CV 1 OR { 313} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 315} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.10695E-01 ppm1 3.913 ppm2 4.075 CV 1 OR { 315} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) ASSI { 317} ( segid " " and resid 139 and name HG1%) ( segid " " and resid 144 and name HG2%) 2.600 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10622E-01 ppm1 0.822 ppm2 1.093 CV 1 ASSI { 321} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HB2 )) 1.800 0.400 0.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.10480E-01 ppm1 1.845 ppm2 1.705 CV 1 ASSI { 336} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.98343E-02 ppm1 2.798 ppm2 2.661 CV 1 ASSI { 343} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.800 0.400 0.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.93974E-02 ppm1 2.513 ppm2 2.621 CV 1 ASSI { 344} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 2.300 3.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.93906E-02 ppm1 2.628 ppm2 2.511 CV 1 ASSI { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB3 )) 2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.92815E-02 ppm1 4.387 ppm2 3.812 CV 1 OR { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 351} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.91043E-02 ppm1 4.230 ppm2 1.503 CV 1 ASSI { 353} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.200 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.90836E-02 ppm1 1.334 ppm2 0.725 CV 1 ASSI { 358} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HB )) 1.800 0.400 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 0.689 ppm2 2.136 CV 1 ASSI { 366} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.300 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.87377E-02 ppm1 2.884 ppm2 0.709 CV 1 ASSI { 371} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HG12)) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.85036E-02 ppm1 0.737 ppm2 1.047 CV 1 ASSI { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD2 )) 2.200 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.84028E-02 ppm1 2.806 ppm2 1.545 CV 1 OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD2 )) OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD3 )) OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD3 )) ASSI { 376} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.83980E-02 ppm1 0.753 ppm2 4.166 CV 1 ASSI { 377} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.82807E-02 ppm1 1.858 ppm2 0.819 CV 1 ASSI { 378} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB3 )) 1.800 0.400 0.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.82435E-02 ppm1 1.997 ppm2 2.249 CV 1 ASSI { 387} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.800 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.80194E-02 ppm1 1.250 ppm2 1.414 CV 1 ASSI { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB2 )) 2.300 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.80026E-02 ppm1 4.533 ppm2 2.605 CV 1 OR { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB3 )) ASSI { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD1%) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.79993E-02 ppm1 1.099 ppm2 0.662 CV 1 OR { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD2%) ASSI { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) 2.300 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.79718E-02 ppm1 4.011 ppm2 0.763 CV 1 OR { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) ASSI { 392} (( segid " " and resid 129 and name HA1 )) (( segid " " and resid 129 and name HA2 )) 1.900 0.500 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.79537E-02 ppm1 3.711 ppm2 4.001 CV 1 ASSI { 397} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 1.900 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.78879E-02 ppm1 1.601 ppm2 1.748 CV 1 ASSI { 400} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 127 and name HA )) 1.700 1.700 4.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.78335E-02 ppm1 1.100 ppm2 4.160 CV 1 ASSI { 402} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.77739E-02 ppm1 4.001 ppm2 3.708 CV 1 ASSI { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.77639E-02 ppm1 1.693 ppm2 1.281 CV 1 OR { 403} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD1%) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.76308E-02 ppm1 4.454 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) ASSI { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 2.000 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.74345E-02 ppm1 1.996 ppm2 2.147 CV 1 OR { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.74335E-02 ppm1 2.246 ppm2 2.150 CV 1 OR { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG2 )) ASSI { 428} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 134 and name HA1 )) 2.100 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.72862E-02 ppm1 3.922 ppm2 3.522 CV 1 ASSI { 430} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.100 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.72671E-02 ppm1 0.401 ppm2 -0.190 CV 1 ASSI { 434} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 119 and name HD1%) 2.100 0.500 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.72259E-02 ppm1 0.450 ppm2 0.754 CV 1 ASSI { 435} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.700 2.700 3.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.72211E-02 ppm1 4.230 ppm2 1.642 CV 1 ASSI { 438} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.72062E-02 ppm1 1.859 ppm2 0.702 CV 1 ASSI { 439} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HG3 )) 2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 1.957 ppm2 2.196 CV 1 ASSI { 442} (( segid " " and resid 117 and name HA )) ( segid " " and resid 139 and name HG2%) 2.800 2.800 3.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.70951E-02 ppm1 4.350 ppm2 0.722 CV 1 ASSI { 445} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 2.100 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.70724E-02 ppm1 4.091 ppm2 3.468 CV 1 ASSI { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.69795E-02 ppm1 3.962 ppm2 0.820 CV 1 OR { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG1%) ASSI { 451} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.600 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.69669E-02 ppm1 1.094 ppm2 0.737 CV 1 ASSI { 452} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.69652E-02 ppm1 2.202 ppm2 4.038 CV 1 OR { 452} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HA )) ASSI { 454} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 117 and name HB2 )) 2.600 2.600 3.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.68907E-02 ppm1 2.883 ppm2 1.300 CV 1 OR { 454} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 117 and name HB2 )) ASSI { 458} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.67667E-02 ppm1 2.260 ppm2 4.228 CV 1 ASSI { 462} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.66838E-02 ppm1 2.674 ppm2 2.793 CV 1 ASSI { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.400 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.65850E-02 ppm1 0.785 ppm2 1.312 CV 1 OR { 473} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HB2 )) OR { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB2 )) ASSI { 474} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.65802E-02 ppm1 3.410 ppm2 4.413 CV 1 ASSI { 487} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.63269E-02 ppm1 4.414 ppm2 4.412 CV 1 ASSI { 491} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 119 and name HD2%) 2.000 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.62910E-02 ppm1 -0.190 ppm2 0.452 CV 1 ASSI { 493} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.62168E-02 ppm1 1.297 ppm2 1.455 CV 1 OR { 493} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG )) ASSI { 500} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HG )) 2.300 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.61300E-02 ppm1 0.821 ppm2 1.421 CV 1 OR { 500} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HG )) ASSI { 503} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.61125E-02 ppm1 0.401 ppm2 1.256 CV 1 ASSI { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD2%) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.60840E-02 ppm1 1.480 ppm2 0.787 CV 1 OR { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD1%) ASSI { 508} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.59820E-02 ppm1 2.972 ppm2 4.338 CV 1 ASSI { 510} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 152 and name HG13)) 1.800 1.800 4.200 peak 510 spectrum 1 weight 0.10000E+01 volume 0.59746E-02 ppm1 0.714 ppm2 1.405 CV 1 ASSI { 511} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB2 )) 2.500 2.500 3.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.59626E-02 ppm1 1.098 ppm2 1.965 CV 1 ASSI { 519} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.58544E-02 ppm1 2.712 ppm2 4.477 CV 1 ASSI { 521} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.58495E-02 ppm1 1.093 ppm2 5.448 CV 1 ASSI { 527} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 2.100 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.57388E-02 ppm1 4.414 ppm2 3.407 CV 1 ASSI { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG3 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.57032E-02 ppm1 2.807 ppm2 1.256 CV 1 OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB3 )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.55995E-02 ppm1 4.453 ppm2 1.499 CV 1 OR { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD1%) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.55807E-02 ppm1 1.600 ppm2 0.790 CV 1 OR { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD2%) ASSI { 540} (( segid " " and resid 128 and name HA )) ( segid " " and resid 127 and name HG2%) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.55445E-02 ppm1 4.178 ppm2 0.743 CV 1 ASSI { 553} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.54237E-02 ppm1 1.774 ppm2 4.256 CV 1 ASSI { 557} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.53971E-02 ppm1 0.770 ppm2 4.010 CV 1 ASSI { 561} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 1.900 0.500 0.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.52779E-02 ppm1 2.941 ppm2 2.597 CV 1 ASSI { 565} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.52287E-02 ppm1 1.767 ppm2 4.009 CV 1 ASSI { 570} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.300 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.51743E-02 ppm1 1.687 ppm2 4.563 CV 1 OR { 570} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) ASSI { 571} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 110 and name HD2%) 2.600 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.51662E-02 ppm1 3.918 ppm2 0.791 CV 1 OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD2%) OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD1%) ASSI { 573} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG13)) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.51633E-02 ppm1 0.755 ppm2 1.572 CV 1 ASSI { 578} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HG12)) 2.000 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.50318E-02 ppm1 1.087 ppm2 0.475 CV 1 ASSI { 581} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG2 )) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.50214E-02 ppm1 2.980 ppm2 1.243 CV 1 OR { 581} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) 2.400 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.49971E-02 ppm1 1.687 ppm2 1.542 CV 1 OR { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) OR { 585} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 598} (( segid " " and resid 127 and name HB )) ( segid " " and resid 127 and name HG1%) 2.100 0.600 0.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.48534E-02 ppm1 1.941 ppm2 1.131 CV 1 ASSI { 605} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HG2 )) 2.000 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.47666E-02 ppm1 2.459 ppm2 1.887 CV 1 ASSI { 608} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.47015E-02 ppm1 5.016 ppm2 0.819 CV 1 ASSI { 612} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG3 )) 2.400 2.400 3.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 0.690 ppm2 2.367 CV 1 ASSI { 616} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB3 )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.46043E-02 ppm1 2.504 ppm2 2.199 CV 1 ASSI { 618} (( segid " " and resid 139 and name HA )) (( segid " " and resid 144 and name HA )) 2.000 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.45638E-02 ppm1 5.024 ppm2 5.450 CV 1 ASSI { 619} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB3 )) 2.500 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.45593E-02 ppm1 4.046 ppm2 1.999 CV 1 ASSI { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 1.686 ppm2 1.256 CV 1 OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HD1%) 2.400 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.45139E-02 ppm1 3.746 ppm2 0.657 CV 1 OR { 626} (( segid " " and resid 105 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 627} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG2 )) 2.700 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.44981E-02 ppm1 2.079 ppm2 2.323 CV 1 ASSI { 629} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 3.000 3.000 3.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.44683E-02 ppm1 4.661 ppm2 4.657 CV 1 ASSI { 630} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 158 and name HA )) 2.600 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.44615E-02 ppm1 2.178 ppm2 4.257 CV 1 OR { 630} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) ASSI { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.44291E-02 ppm1 1.334 ppm2 0.758 CV 1 OR { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HG2%) ASSI { 635} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.600 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.44161E-02 ppm1 0.658 ppm2 5.034 CV 1 ASSI { 636} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 106 and name HB% ) 2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.44084E-02 ppm1 1.261 ppm2 0.844 CV 1 OR { 636} (( segid " " and resid 153 and name HG3 )) ( segid " " and resid 106 and name HB% ) ASSI { 637} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HA )) 2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.44074E-02 ppm1 5.170 ppm2 5.858 CV 1 ASSI { 638} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 125 and name HB )) 2.800 2.800 3.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.44038E-02 ppm1 1.599 ppm2 1.300 CV 1 ASSI { 642} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.43760E-02 ppm1 0.449 ppm2 4.651 CV 1 ASSI { 654} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.42694E-02 ppm1 2.253 ppm2 4.545 CV 1 ASSI { 655} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.42571E-02 ppm1 1.913 ppm2 2.322 CV 1 ASSI { 656} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 145 and name HA2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.42497E-02 ppm1 3.813 ppm2 4.418 CV 1 ASSI { 657} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HB )) 2.100 0.500 0.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.42432E-02 ppm1 0.869 ppm2 2.147 CV 1 ASSI { 658} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.600 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.42416E-02 ppm1 4.400 ppm2 1.618 CV 1 ASSI { 660} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG12)) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.42370E-02 ppm1 0.718 ppm2 1.112 CV 1 ASSI { 661} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG3 )) 2.900 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.42341E-02 ppm1 2.979 ppm2 1.417 CV 1 OR { 661} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG3 )) ASSI { 664} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.42225E-02 ppm1 4.045 ppm2 1.954 CV 1 ASSI { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) 3.200 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.42115E-02 ppm1 4.823 ppm2 0.722 CV 1 ASSI { 670} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG3 )) 2.200 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.41613E-02 ppm1 2.081 ppm2 2.359 CV 1 ASSI { 671} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 2.600 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.41512E-02 ppm1 2.627 ppm2 4.494 CV 1 ASSI { 672} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.41470E-02 ppm1 4.664 ppm2 2.798 CV 1 ASSI { 673} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.41460E-02 ppm1 0.754 ppm2 4.122 CV 1 ASSI { 676} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 127 and name HG1%) 2.300 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.41318E-02 ppm1 0.401 ppm2 1.131 CV 1 ASSI { 677} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.41253E-02 ppm1 3.913 ppm2 4.545 CV 1 OR { 677} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HA )) ASSI { 678} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.41218E-02 ppm1 1.997 ppm2 4.546 CV 1 ASSI { 683} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 125 and name HD1%) 2.300 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.40570E-02 ppm1 1.086 ppm2 -0.190 CV 1 ASSI { 684} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG3 )) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.40563E-02 ppm1 1.910 ppm2 2.360 CV 1 ASSI { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.400 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.40557E-02 ppm1 4.773 ppm2 1.935 CV 1 OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) ASSI { 686} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG12)) 2.600 0.900 0.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.40531E-02 ppm1 0.770 ppm2 1.050 CV 1 ASSI { 693} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.700 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.39954E-02 ppm1 2.710 ppm2 4.337 CV 1 ASSI { 697} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HB3 )) 2.500 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.39793E-02 ppm1 1.989 ppm2 1.802 CV 1 OR { 697} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB3 )) ASSI { 698} (( segid " " and resid 107 and name HA )) ( segid " " and resid 121 and name HG1%) 2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.39737E-02 ppm1 4.534 ppm2 0.786 CV 1 ASSI { 699} (( segid " " and resid 123 and name HA )) (( segid " " and resid 119 and name HB3 )) 3.100 3.100 2.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.39702E-02 ppm1 4.397 ppm2 1.999 CV 1 ASSI { 701} (( segid " " and resid 154 and name HA )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.39673E-02 ppm1 4.337 ppm2 5.000 CV 1 ASSI { 704} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 2.169 ppm2 4.158 CV 1 OR { 704} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) ASSI { 706} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG2 )) 2.300 2.300 3.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 0.690 ppm2 2.327 CV 1 ASSI { 709} (( segid " " and resid 153 and name HD2 )) ( segid " " and resid 106 and name HB% ) 2.600 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.39112E-02 ppm1 1.555 ppm2 0.845 CV 1 OR { 709} (( segid " " and resid 153 and name HD3 )) ( segid " " and resid 106 and name HB% ) ASSI { 710} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) 2.600 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.38831E-02 ppm1 0.754 ppm2 4.817 CV 1 ASSI { 713} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 144 and name HA )) 3.300 1.300 1.300 peak 713 spectrum 1 weight 0.10000E+01 volume 0.38746E-02 ppm1 0.824 ppm2 5.448 CV 1 ASSI { 714} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.38685E-02 ppm1 0.400 ppm2 4.272 CV 1 ASSI { 715} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 105 and name HG1%) 3.100 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.38533E-02 ppm1 0.662 ppm2 0.858 CV 1 ASSI { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG2 )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 0.838 ppm2 2.150 CV 1 OR { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG3 )) ASSI { 723} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.37859E-02 ppm1 4.665 ppm2 2.658 CV 1 ASSI { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG2%) 2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.37587E-02 ppm1 5.038 ppm2 0.657 CV 1 OR { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HD1%) ASSI { 728} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 141 and name HB2 )) 1.900 1.900 4.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 2.979 ppm2 2.754 CV 1 OR { 728} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 141 and name HB2 )) ASSI { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 0.450 ppm2 0.676 CV 1 OR { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD2%) ASSI { 731} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.37017E-02 ppm1 0.717 ppm2 1.773 CV 1 ASSI { 733} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.36972E-02 ppm1 0.657 ppm2 1.797 CV 1 ASSI { 736} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.600 0.900 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.36797E-02 ppm1 4.706 ppm2 2.664 CV 1 ASSI { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.800 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.36599E-02 ppm1 4.823 ppm2 0.752 CV 1 OR { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 742} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.36246E-02 ppm1 1.597 ppm2 4.205 CV 1 ASSI { 751} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 106 and name HA )) 2.600 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.36088E-02 ppm1 0.780 ppm2 4.204 CV 1 ASSI { 752} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.36071E-02 ppm1 0.869 ppm2 3.738 CV 1 ASSI { 753} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.36062E-02 ppm1 2.505 ppm2 1.988 CV 1 ASSI { 754} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HA )) 2.300 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.36036E-02 ppm1 5.384 ppm2 4.818 CV 1 ASSI { 757} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG13)) 2.600 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.35926E-02 ppm1 1.767 ppm2 1.325 CV 1 ASSI { 758} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) 2.900 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.35913E-02 ppm1 1.261 ppm2 -0.191 CV 1 ASSI { 762} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HD1%) 1.800 0.400 0.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10549E-01 ppm1 1.169 ppm2 -0.190 CV 1 ASSI { 767} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.600 0.800 0.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.35220E-02 ppm1 1.501 ppm2 2.962 CV 1 ASSI { 770} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.500 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.34611E-02 ppm1 2.448 ppm2 1.996 CV 1 ASSI { 773} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.34459E-02 ppm1 0.821 ppm2 1.155 CV 1 OR { 773} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 779} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 118 and name HA )) 1.900 1.900 4.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.34174E-02 ppm1 1.296 ppm2 4.547 CV 1 ASSI { 787} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.33681E-02 ppm1 4.412 ppm2 1.754 CV 1 ASSI { 790} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HA )) 3.100 3.100 2.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.33273E-02 ppm1 4.539 ppm2 4.766 CV 1 ASSI { 791} (( segid " " and resid 132 and name HA )) (( segid " " and resid 130 and name HA )) 2.900 2.900 3.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.33108E-02 ppm1 4.537 ppm2 4.309 CV 1 ASSI { 796} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HA )) 2.000 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.32813E-02 ppm1 4.773 ppm2 5.346 CV 1 ASSI { 799} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 3.200 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 4.185 ppm2 2.317 CV 1 ASSI { 802} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.32651E-02 ppm1 2.198 ppm2 2.315 CV 1 ASSI { 803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.32583E-02 ppm1 0.482 ppm2 -0.191 CV 1 ASSI { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD3 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.32496E-02 ppm1 4.661 ppm2 3.607 CV 1 OR { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) 2.600 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.32464E-02 ppm1 1.687 ppm2 1.988 CV 1 OR { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) ASSI { 809} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) 2.300 0.700 0.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.32346E-02 ppm1 2.282 ppm2 2.902 CV 1 ASSI { 815} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG12)) 2.600 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.32077E-02 ppm1 0.754 ppm2 1.112 CV 1 ASSI { 821} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HB3 )) 2.600 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.31762E-02 ppm1 2.523 ppm2 2.058 CV 1 ASSI { 826} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.31395E-02 ppm1 4.707 ppm2 2.795 CV 1 ASSI { 827} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.31363E-02 ppm1 1.845 ppm2 4.590 CV 1 ASSI { 831} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.600 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.31091E-02 ppm1 0.836 ppm2 0.402 CV 1 ASSI { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HD1%) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.30958E-02 ppm1 1.301 ppm2 0.676 CV 1 OR { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) ASSI { 837} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HA )) 2.200 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.30846E-02 ppm1 3.746 ppm2 5.035 CV 1 ASSI { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.30711E-02 ppm1 1.182 ppm2 0.636 CV 1 OR { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG3 )) ASSI { 840} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HG2%) 2.300 2.300 3.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10549E-01 ppm1 1.756 ppm2 0.396 CV 1 ASSI { 844} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 1.933 ppm2 4.765 CV 1 OR { 844} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 846} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HD1%) 2.500 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.10549E-01 ppm1 1.750 ppm2 -0.185 CV 1 ASSI { 851} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HD1%) 3.000 3.000 3.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.30054E-02 ppm1 0.659 ppm2 -0.191 CV 1 ASSI { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HD1%) 2.300 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.30007E-02 ppm1 1.804 ppm2 0.658 CV 1 OR { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) ASSI { 856} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 2.080 ppm2 4.328 CV 1 ASSI { 857} (( segid " " and resid 143 and name HE2 )) ( segid " " and resid 139 and name HG2%) 2.000 2.000 4.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.29719E-02 ppm1 2.978 ppm2 0.722 CV 1 OR { 857} (( segid " " and resid 143 and name HE3 )) ( segid " " and resid 139 and name HG2%) ASSI { 860} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 152 and name HD1%) 2.300 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 2.597 ppm2 0.679 CV 1 ASSI { 863} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.29538E-02 ppm1 3.939 ppm2 5.448 CV 1 ASSI { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD2 )) 2.000 2.000 4.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.29467E-02 ppm1 2.980 ppm2 3.631 CV 1 OR { 865} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 868} (( segid " " and resid 135 and name HA )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.29403E-02 ppm1 4.778 ppm2 3.680 CV 1 ASSI { 877} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.28960E-02 ppm1 4.398 ppm2 2.330 CV 1 ASSI { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG3 )) 2.200 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 0.045 ppm2 0.645 CV 1 OR { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 879} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.28888E-02 ppm1 1.696 ppm2 2.875 CV 1 ASSI { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG2 )) 3.000 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.28775E-02 ppm1 4.551 ppm2 2.150 CV 1 OR { 884} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) ASSI { 886} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.28710E-02 ppm1 2.735 ppm2 2.324 CV 1 ASSI { 888} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HA )) 2.900 2.900 3.100 peak 888 spectrum 1 weight 0.10000E+01 volume 0.28597E-02 ppm1 4.520 ppm2 5.365 CV 1 ASSI { 889} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.700 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.28562E-02 ppm1 1.910 ppm2 4.326 CV 1 ASSI { 893} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.28443E-02 ppm1 2.942 ppm2 5.005 CV 1 ASSI { 896} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG13)) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.28352E-02 ppm1 0.770 ppm2 1.326 CV 1 ASSI { 900} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.28242E-02 ppm1 0.482 ppm2 0.399 CV 1 ASSI { 901} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) 2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 4.011 ppm2 0.727 CV 1 ASSI { 905} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HG13)) 2.500 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 0.401 ppm2 1.087 CV 1 ASSI { 909} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 3.100 1.200 1.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.27879E-02 ppm1 4.340 ppm2 4.566 CV 1 ASSI { 912} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HB3 )) 3.900 1.900 1.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.27800E-02 ppm1 0.826 ppm2 2.044 CV 1 ASSI { 913} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 138 and name HA2 )) 2.100 0.500 0.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.27780E-02 ppm1 3.843 ppm2 5.218 CV 1 ASSI { 914} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.200 2.200 3.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10549E-01 ppm1 1.166 ppm2 4.276 CV 1 ASSI { 915} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HB2 )) 2.200 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 2.171 ppm2 1.858 CV 1 OR { 915} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HB2 )) ASSI { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.27335E-02 ppm1 4.524 ppm2 1.938 CV 1 OR { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) ASSI { 923} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 144 and name HA )) 2.600 0.900 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.27291E-02 ppm1 0.704 ppm2 5.449 CV 1 ASSI { 924} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.27208E-02 ppm1 4.543 ppm2 1.596 CV 1 ASSI { 925} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.800 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.27186E-02 ppm1 0.730 ppm2 1.761 CV 1 ASSI { 930} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.26992E-02 ppm1 1.255 ppm2 1.414 CV 1 ASSI { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) 2.900 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 5.382 ppm2 1.986 CV 1 OR { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) ASSI { 936} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HA )) 3.300 1.300 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 4.284 ppm2 5.203 CV 1 ASSI { 937} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HG )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.26589E-02 ppm1 0.449 ppm2 1.840 CV 1 ASSI { 940} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 146 and name HB3 )) 3.400 1.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 1.731 ppm2 2.051 CV 1 OR { 940} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 146 and name HB3 )) ASSI { 942} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.26295E-02 ppm1 2.200 ppm2 4.184 CV 1 ASSI { 944} (( segid " " and resid 156 and name HA )) (( segid " " and resid 129 and name HA2 )) 2.000 2.000 4.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 4.438 ppm2 3.998 CV 1 ASSI { 948} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA1 )) 3.000 1.100 1.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.25999E-02 ppm1 4.230 ppm2 3.860 CV 1 OR { 948} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HA2 )) ASSI { 949} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.25981E-02 ppm1 0.689 ppm2 1.446 CV 1 ASSI { 959} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.25633E-02 ppm1 2.597 ppm2 5.003 CV 1 ASSI { 965} (( segid " " and resid 106 and name HA )) ( segid " " and resid 121 and name HG1%) 2.900 2.900 3.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.25491E-02 ppm1 4.178 ppm2 0.792 CV 1 ASSI { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD2%) 2.600 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.25057E-02 ppm1 1.746 ppm2 0.849 CV 1 OR { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD1%) ASSI { 983} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 152 and name HD1%) 3.400 1.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.24898E-02 ppm1 2.942 ppm2 0.678 CV 1 ASSI { 994} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.100 0.500 0.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.24425E-02 ppm1 1.743 ppm2 1.159 CV 1 ASSI { 1009} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.23983E-02 ppm1 1.726 ppm2 4.445 CV 1 OR { 1009} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) ASSI { 1010} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 123 and name HA )) 2.800 2.800 3.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.23923E-02 ppm1 1.529 ppm2 4.392 CV 1 ASSI { 1011} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) 3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 1.294 ppm2 4.658 CV 1 OR { 1011} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 1013} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.23906E-02 ppm1 0.844 ppm2 6.906 CV 1 ASSI { 1016} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 119 and name HB2 )) 3.000 3.000 3.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.23827E-02 ppm1 0.793 ppm2 1.637 CV 1 ASSI { 1017} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 2.000 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.10035E-01 ppm1 2.324 ppm2 2.081 CV 1 OR { 1017} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 1019} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.300 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.23658E-02 ppm1 1.252 ppm2 1.837 CV 1 ASSI { 1023} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.200 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 0.653 ppm2 0.040 CV 1 ASSI { 1025} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.23431E-02 ppm1 5.345 ppm2 1.598 CV 1 ASSI { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 4.352 ppm2 0.686 CV 1 OR { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) ASSI { 1032} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 109 and name HA )) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 3.610 ppm2 4.659 CV 1 OR { 1032} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 109 and name HA )) ASSI { 1035} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 2.503 ppm2 4.184 CV 1 ASSI { 1037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG13)) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.23073E-02 ppm1 1.262 ppm2 1.081 CV 1 ASSI { 1043} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.22966E-02 ppm1 5.171 ppm2 2.055 CV 1 ASSI { 1047} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 136 and name HA )) 2.900 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.22838E-02 ppm1 0.821 ppm2 5.197 CV 1 ASSI { 1062} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.22288E-02 ppm1 1.765 ppm2 1.052 CV 1 ASSI { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.800 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.22115E-02 ppm1 5.004 ppm2 1.496 CV 1 OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 1072} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.600 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.22102E-02 ppm1 1.426 ppm2 0.676 CV 1 OR { 1072} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD2%) ASSI { 1078} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 108 and name HA )) 3.000 3.000 3.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.22047E-02 ppm1 1.916 ppm2 4.113 CV 1 ASSI { 1079} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 2.200 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.22033E-02 ppm1 2.652 ppm2 2.826 CV 1 ASSI { 1080} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB3 )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.21960E-02 ppm1 2.886 ppm2 1.754 CV 1 OR { 1080} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB3 )) ASSI { 1081} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 139 and name HG2%) 3.300 3.300 2.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 1.246 ppm2 0.723 CV 1 ASSI { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.300 1.300 1.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.21775E-02 ppm1 2.333 ppm2 0.821 CV 1 ASSI { 1089} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 4.400 ppm2 2.732 CV 1 ASSI { 1090} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HA )) 3.100 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.21580E-02 ppm1 1.053 ppm2 4.009 CV 1 ASSI { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG2 )) 2.100 2.100 3.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 0.715 ppm2 1.987 CV 1 OR { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG3 )) ASSI { 1099} (( segid " " and resid 108 and name HA )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.21217E-02 ppm1 4.082 ppm2 4.544 CV 1 ASSI { 1101} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.600 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 0.674 ppm2 -0.190 CV 1 ASSI { 1104} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB )) 2.800 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.21014E-02 ppm1 4.173 ppm2 1.871 CV 1 ASSI { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.500 1.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.20767E-02 ppm1 1.254 ppm2 0.722 CV 1 ASSI { 1111} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.20662E-02 ppm1 1.422 ppm2 4.588 CV 1 ASSI { 1112} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 127 and name HG2%) 3.500 1.500 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 5.223 ppm2 0.739 CV 1 ASSI { 1115} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.20595E-02 ppm1 0.659 ppm2 6.853 CV 1 ASSI { 1116} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HG2 )) 3.400 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.20584E-02 ppm1 3.610 ppm2 1.967 CV 1 OR { 1116} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HG2 )) ASSI { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD2%) 3.500 1.500 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.20324E-02 ppm1 5.003 ppm2 0.722 CV 1 OR { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD1%) ASSI { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 1.256 ppm2 0.677 CV 1 OR { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1123} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HA )) 3.500 1.600 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 0.717 ppm2 5.377 CV 1 ASSI { 1139} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HB3 )) 2.300 0.700 0.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 1.930 ppm2 2.870 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 3.721 ppm2 2.887 CV 1 ASSI { 1142} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.600 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19979E-02 ppm1 5.208 ppm2 7.057 CV 1 ASSI { 1148} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.19877E-02 ppm1 0.743 ppm2 1.181 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 125 and name HG2%) 4.000 2.000 2.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.19859E-02 ppm1 3.844 ppm2 0.397 CV 1 ASSI { 1161} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 143 and name HG2 )) 2.700 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19570E-02 ppm1 1.256 ppm2 1.245 CV 1 ASSI { 1162} ( segid " " and resid 162 and name HD2%) (( segid " " and resid 161 and name HB2 )) 2.100 2.100 3.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.19555E-02 ppm1 0.750 ppm2 1.893 CV 1 OR { 1162} ( segid " " and resid 162 and name HD1%) (( segid " " and resid 161 and name HB2 )) ASSI { 1166} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.19460E-02 ppm1 1.774 ppm2 1.112 CV 1 ASSI { 1170} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 127 and name HG1%) 3.700 1.700 1.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19360E-02 ppm1 0.860 ppm2 1.127 CV 1 ASSI { 1179} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 1.260 ppm2 4.272 CV 1 ASSI { 1181} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.800 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 1.424 ppm2 1.837 CV 1 ASSI { 1185} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.18920E-02 ppm1 2.196 ppm2 4.767 CV 1 ASSI { 1188} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.600 3.600 2.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.18879E-02 ppm1 0.746 ppm2 2.049 CV 1 ASSI { 1194} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 139 and name HG1%) 3.000 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.18750E-02 ppm1 1.932 ppm2 0.818 CV 1 OR { 1194} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 139 and name HG1%) ASSI { 1195} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 153 and name HD3 )) 3.000 3.000 3.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 2.137 ppm2 1.544 CV 1 OR { 1195} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 153 and name HD2 )) ASSI { 1210} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.18455E-02 ppm1 1.956 ppm2 4.766 CV 1 ASSI { 1213} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB3 )) 3.700 3.700 2.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 5.009 ppm2 2.617 CV 1 ASSI { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB2 )) 3.200 1.300 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.18391E-02 ppm1 2.575 ppm2 1.741 CV 1 OR { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 1217} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.18310E-02 ppm1 3.961 ppm2 1.885 CV 1 ASSI { 1222} (( segid " " and resid 119 and name HA )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.18191E-02 ppm1 4.655 ppm2 0.725 CV 1 ASSI { 1232} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.200 2.200 3.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 0.659 ppm2 0.399 CV 1 ASSI { 1233} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 1.424 ppm2 0.721 CV 1 ASSI { 1239} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 2.901 ppm2 4.534 CV 1 ASSI { 1240} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HA1 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.17858E-02 ppm1 0.704 ppm2 3.468 CV 1 ASSI { 1241} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.17814E-02 ppm1 4.369 ppm2 2.195 CV 1 ASSI { 1245} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.17713E-02 ppm1 1.759 ppm2 4.544 CV 1 ASSI { 1249} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.200 3.200 2.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 1.092 ppm2 2.055 CV 1 ASSI { 1251} (( segid " " and resid 132 and name HA )) (( segid " " and resid 136 and name HA )) 3.600 1.600 1.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 4.536 ppm2 5.198 CV 1 ASSI { 1252} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.17599E-02 ppm1 4.656 ppm2 1.159 CV 1 ASSI { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 5.170 ppm2 1.740 CV 1 OR { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 1255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.17508E-02 ppm1 4.274 ppm2 7.057 CV 1 ASSI { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD3 )) 3.000 3.000 3.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.17476E-02 ppm1 1.555 ppm2 1.546 CV 1 OR { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 1259} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB3 )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.17456E-02 ppm1 0.632 ppm2 1.178 CV 1 ASSI { 1263} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB2 )) 3.100 1.200 1.200 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.17395E-02 ppm1 2.188 ppm2 1.607 CV 1 ASSI { 1264} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.500 1.500 1.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.17280E-02 ppm1 4.362 ppm2 1.974 CV 1 ASSI { 1266} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA2 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 0.716 ppm2 4.451 CV 1 ASSI { 1270} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 140 and name HB2 )) 3.300 3.300 2.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 2.884 ppm2 1.144 CV 1 OR { 1270} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1283} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB )) 2.600 0.800 0.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.16920E-02 ppm1 0.687 ppm2 1.804 CV 1 ASSI { 1285} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 105 and name HB )) 3.500 1.500 1.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.16863E-02 ppm1 2.795 ppm2 2.150 CV 1 ASSI { 1286} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 139 and name HA )) 3.400 1.500 1.500 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.16847E-02 ppm1 1.093 ppm2 5.020 CV 1 ASSI { 1290} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.16772E-02 ppm1 0.863 ppm2 1.618 CV 1 ASSI { 1291} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HD% ) 3.200 1.300 1.300 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.16770E-02 ppm1 1.132 ppm2 6.857 CV 1 ASSI { 1296} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.600 1.600 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 0.402 ppm2 6.856 CV 1 ASSI { 1310} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.000 1.200 1.200 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.16403E-02 ppm1 0.715 ppm2 1.675 CV 1 ASSI { 1312} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.16358E-02 ppm1 5.383 ppm2 1.675 CV 1 ASSI { 1314} (( segid " " and resid 164 and name HG13)) (( segid " " and resid 164 and name HA )) 2.900 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.16319E-02 ppm1 1.334 ppm2 4.009 CV 1 ASSI { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD1%) 3.500 1.600 1.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.16286E-02 ppm1 0.480 ppm2 0.821 CV 1 OR { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD2%) ASSI { 1321} (( segid " " and resid 125 and name HB )) ( segid " " and resid 127 and name HG1%) 2.900 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.16135E-02 ppm1 1.264 ppm2 1.129 CV 1 ASSI { 1323} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.700 1.700 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.16132E-02 ppm1 2.158 ppm2 2.829 CV 1 OR { 1323} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 1326} (( segid " " and resid 105 and name HB )) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.16089E-02 ppm1 2.155 ppm2 2.875 CV 1 ASSI { 1329} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.16053E-02 ppm1 3.677 ppm2 0.634 CV 1 ASSI { 1343} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 2.900 1.000 1.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.15840E-02 ppm1 1.431 ppm2 1.160 CV 1 ASSI { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD1%) 3.700 1.700 1.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15796E-02 ppm1 1.084 ppm2 0.820 CV 1 OR { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD2%) ASSI { 1349} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.500 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.15790E-02 ppm1 5.038 ppm2 1.795 CV 1 ASSI { 1356} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.15699E-02 ppm1 3.607 ppm2 4.543 CV 1 OR { 1356} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HA )) ASSI { 1357} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) 3.200 1.200 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.15658E-02 ppm1 1.574 ppm2 4.561 CV 1 OR { 1357} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) ASSI { 1360} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HA )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.15618E-02 ppm1 0.690 ppm2 4.566 CV 1 ASSI { 1362} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 5.382 ppm2 1.792 CV 1 ASSI { 1363} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 119 and name HD2%) 2.200 2.200 3.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 0.657 ppm2 0.447 CV 1 ASSI { 1374} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.400 2.400 3.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.15388E-02 ppm1 5.166 ppm2 1.966 CV 1 ASSI { 1390} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.800 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.15155E-02 ppm1 1.857 ppm2 5.020 CV 1 ASSI { 1396} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HA )) 2.900 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.15012E-02 ppm1 1.776 ppm2 4.817 CV 1 ASSI { 1400} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.900 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.14970E-02 ppm1 4.661 ppm2 2.856 CV 1 ASSI { 1403} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.14898E-02 ppm1 0.742 ppm2 1.609 CV 1 ASSI { 1409} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB3 )) 3.100 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.14844E-02 ppm1 4.657 ppm2 1.744 CV 1 ASSI { 1410} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 1.747 ppm2 0.678 CV 1 ASSI { 1413} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.14788E-02 ppm1 1.984 ppm2 4.372 CV 1 ASSI { 1422} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HG2 )) 3.800 1.800 1.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 0.829 ppm2 2.465 CV 1 ASSI { 1429} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB3 )) 3.900 3.900 2.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.14536E-02 ppm1 0.660 ppm2 2.952 CV 1 ASSI { 1441} (( segid " " and resid 149 and name HA )) (( segid " " and resid 105 and name HB )) 4.000 2.000 2.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.14316E-02 ppm1 2.969 ppm2 2.139 CV 1 ASSI { 1445} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG3 )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 1.777 ppm2 2.464 CV 1 ASSI { 1447} (( segid " " and resid 125 and name HB )) ( segid " " and resid 119 and name HD2%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.14287E-02 ppm1 1.261 ppm2 0.462 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 4.536 ppm2 2.269 CV 1 ASSI { 1452} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 5.859 ppm2 2.054 CV 1 ASSI { 1457} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.14110E-02 ppm1 0.752 ppm2 6.813 CV 1 ASSI { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.400 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 5.168 ppm2 2.141 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG2 )) ASSI { 1464} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HA )) 3.400 3.400 2.600 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 3.657 ppm2 4.515 CV 1 ASSI { 1467} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.300 2.300 3.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.14072E-02 ppm1 0.719 ppm2 -0.157 CV 1 ASSI { 1471} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 2.984 ppm2 2.624 CV 1 ASSI { 1473} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.500 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 2.209 ppm2 2.443 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 4.779 ppm2 2.828 CV 1 ASSI { 1480} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HB3 )) 3.500 1.500 1.500 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 2.978 ppm2 1.849 CV 1 OR { 1480} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HB3 )) ASSI { 1482} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.200 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.13855E-02 ppm1 4.681 ppm2 2.896 CV 1 ASSI { 1488} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 146 and name HG2 )) 3.400 3.400 2.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 2.016 ppm2 2.484 CV 1 ASSI { 1490} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 117 and name HD1%) 3.100 1.200 1.200 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.13700E-02 ppm1 1.166 ppm2 0.677 CV 1 ASSI { 1498} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.13662E-02 ppm1 0.676 ppm2 6.812 CV 1 ASSI { 1499} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 117 and name HD2%) 4.000 2.000 2.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.13645E-02 ppm1 3.833 ppm2 0.684 CV 1 ASSI { 1502} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HG )) 3.000 3.000 3.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 5.343 ppm2 1.456 CV 1 ASSI { 1508} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HB3 )) 3.700 1.700 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.13537E-02 ppm1 0.840 ppm2 2.242 CV 1 ASSI { 1518} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 139 and name HG2%) 2.400 2.400 3.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.10138E-01 ppm1 1.837 ppm2 0.721 CV 1 ASSI { 1522} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.700 1.700 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 4.772 ppm2 1.603 CV 1 ASSI { 1524} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HD3 )) 3.400 1.500 1.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13296E-02 ppm1 1.296 ppm2 3.606 CV 1 OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD3 )) OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1531} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD1%) 2.700 0.900 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 1.835 ppm2 0.751 CV 1 ASSI { 1532} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 128 and name HG1%) 3.600 1.600 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.13186E-02 ppm1 1.944 ppm2 0.818 CV 1 ASSI { 1541} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA2 )) 3.400 1.500 1.500 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.13114E-02 ppm1 0.401 ppm2 5.221 CV 1 ASSI { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD3 )) 3.100 1.200 1.200 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 2.968 ppm2 1.549 CV 1 OR { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD2 )) ASSI { 1555} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG2 )) 3.000 1.100 1.100 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.12905E-02 ppm1 4.328 ppm2 2.323 CV 1 ASSI { 1562} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) 3.100 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 0.482 ppm2 4.272 CV 1 ASSI { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD3 )) 3.200 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 0.785 ppm2 3.611 CV 1 OR { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD2 )) ASSI { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE2 )) 3.100 1.200 1.200 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 0.843 ppm2 2.802 CV 1 OR { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE3 )) ASSI { 1580} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 0.701 ppm2 4.659 CV 1 ASSI { 1584} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HG3 )) 2.800 1.000 1.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 1.993 ppm2 2.563 CV 1 OR { 1584} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HG3 )) ASSI { 1585} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HB )) 2.900 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.12512E-02 ppm1 0.485 ppm2 1.255 CV 1 ASSI { 1586} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) 3.200 1.300 1.300 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.12507E-02 ppm1 0.705 ppm2 4.539 CV 1 ASSI { 1587} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HA )) 2.900 1.100 1.100 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 2.026 ppm2 5.857 CV 1 OR { 1587} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) ASSI { 1594} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 130 and name HA )) 3.200 1.300 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 0.818 ppm2 4.282 CV 1 ASSI { 1596} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 3.500 3.500 2.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.12419E-02 ppm1 2.016 ppm2 2.692 CV 1 OR { 1596} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 135 and name HB2 )) ASSI { 1599} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 1.087 ppm2 4.270 CV 1 ASSI { 1613} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 1.133 ppm2 5.345 CV 1 ASSI { 1617} (( segid " " and resid 127 and name HA )) (( segid " " and resid 138 and name HA2 )) 2.000 2.000 4.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 4.132 ppm2 5.226 CV 1 ASSI { 1619} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HG12)) 2.100 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 5.383 ppm2 1.102 CV 1 ASSI { 1622} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HB2 )) 3.400 1.500 1.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.12097E-02 ppm1 0.450 ppm2 1.617 CV 1 ASSI { 1630} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 4.775 ppm2 2.638 CV 1 ASSI { 1631} (( segid " " and resid 105 and name HA )) ( segid " " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.12038E-02 ppm1 3.750 ppm2 0.773 CV 1 ASSI { 1633} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 125 and name HG2%) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 0.756 ppm2 0.412 CV 1 ASSI { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 3.000 1.200 1.200 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 4.658 ppm2 1.317 CV 1 OR { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) ASSI { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE2 )) 2.100 0.600 0.600 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.10138E-01 ppm1 1.716 ppm2 2.976 CV 1 OR { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE3 )) ASSI { 1658} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ2 )) 3.300 3.300 2.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.11792E-02 ppm1 0.756 ppm2 7.382 CV 1 ASSI { 1669} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.900 1.000 1.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.11728E-02 ppm1 5.343 ppm2 1.680 CV 1 ASSI { 1675} (( segid " " and resid 118 and name HA )) ( segid " " and resid 147 and name HD% ) 3.700 3.700 2.300 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 4.509 ppm2 6.824 CV 1 ASSI { 1688} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HA )) 3.400 1.500 1.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 4.661 ppm2 4.541 CV 1 ASSI { 1689} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 151 and name HA )) 3.200 3.200 2.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 0.841 ppm2 4.677 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 1.182 ppm2 3.676 CV 1 ASSI { 1722} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 154 and name HA )) 3.700 1.800 1.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.11132E-02 ppm1 2.940 ppm2 4.327 CV 1 ASSI { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB3 )) 3.800 1.800 1.800 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.11123E-02 ppm1 2.476 ppm2 1.742 CV 1 ASSI { 1731} (( segid " " and resid 126 and name HA )) (( segid " " and resid 155 and name HG )) 3.400 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.11045E-02 ppm1 4.770 ppm2 1.461 CV 1 ASSI { 1732} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 0.654 ppm2 1.180 CV 1 ASSI { 1736} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 1.428 ppm2 4.656 CV 1 ASSI { 1744} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 127 and name HG1%) 2.400 2.400 3.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 0.690 ppm2 1.131 CV 1 ASSI { 1760} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HB3 )) 3.600 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.10762E-02 ppm1 3.813 ppm2 1.405 CV 1 ASSI { 1761} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HA )) 3.500 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.10759E-02 ppm1 0.399 ppm2 4.126 CV 1 ASSI { 1763} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB )) 2.800 1.000 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 4.127 ppm2 1.934 CV 1 ASSI { 1767} (( segid " " and resid 140 and name HA )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 4.658 ppm2 4.273 CV 1 ASSI { 1778} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG13)) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.10590E-02 ppm1 2.971 ppm2 1.451 CV 1 ASSI { 1782} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 2.854 ppm2 2.480 CV 1 ASSI { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 3.800 1.800 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 2.623 ppm2 2.150 CV 1 OR { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 1799} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 152 and name HD1%) 2.400 2.400 3.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 2.361 ppm2 0.682 CV 1 OR { 1799} (( segid " " and resid 154 and name HG3 )) ( segid " " and resid 152 and name HD1%) ASSI { 1804} (( segid " " and resid 146 and name HG3 )) ( segid " " and resid 128 and name HG1%) 2.400 2.400 3.600 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 2.582 ppm2 0.818 CV 1 ASSI { 1805} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HA )) 3.900 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 2.880 ppm2 4.549 CV 1 OR { 1805} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HA )) ASSI { 1817} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) 2.700 0.900 0.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 5.383 ppm2 0.857 CV 1 ASSI { 1820} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 3.000 1.100 1.100 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 2.972 ppm2 0.678 CV 1 ASSI { 1822} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 2.860 ppm2 0.757 CV 1 ASSI { 1829} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 124 and name HG13)) 3.600 1.700 1.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 1.987 ppm2 1.560 CV 1 OR { 1829} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 124 and name HG13)) ASSI { 1853} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.900 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.99878E-03 ppm1 5.861 ppm2 1.972 CV 1 ASSI { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG2 )) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.99732E-03 ppm1 4.660 ppm2 1.974 CV 1 ASSI { 1864} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.99496E-03 ppm1 1.747 ppm2 0.716 CV 1 ASSI { 1865} (( segid " " and resid 154 and name HA )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.99493E-03 ppm1 4.328 ppm2 0.684 CV 1 ASSI { 1866} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.900 1.900 1.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.99489E-03 ppm1 2.595 ppm2 4.327 CV 1 ASSI { 1874} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.98647E-03 ppm1 2.003 ppm2 0.753 CV 1 ASSI { 1889} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 125 and name HD1%) 3.600 1.600 1.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.97618E-03 ppm1 0.690 ppm2 -0.191 CV 1 ASSI { 1903} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.900 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.96503E-03 ppm1 4.661 ppm2 2.480 CV 1 ASSI { 1904} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.900 1.900 1.900 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.96497E-03 ppm1 0.737 ppm2 6.855 CV 1 ASSI { 1910} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HG )) 3.000 1.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.95950E-03 ppm1 2.710 ppm2 1.423 CV 1 ASSI { 1913} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.95717E-03 ppm1 0.659 ppm2 2.600 CV 1 ASSI { 1914} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HB2 )) 2.400 2.400 3.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.95713E-03 ppm1 1.569 ppm2 1.942 CV 1 OR { 1914} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 1926} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 119 and name HD2%) 4.300 2.300 1.700 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.94777E-03 ppm1 1.428 ppm2 0.451 CV 1 ASSI { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD2 )) 3.700 1.700 1.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.94233E-03 ppm1 0.689 ppm2 1.549 CV 1 OR { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD3 )) ASSI { 1945} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HA )) 3.500 1.500 1.500 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.93835E-03 ppm1 4.692 ppm2 4.485 CV 1 ASSI { 1956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB3 )) 3.100 1.200 1.200 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.93404E-03 ppm1 4.688 ppm2 3.724 CV 1 ASSI { 1959} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 140 and name HD2%) 4.000 2.000 2.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.93281E-03 ppm1 1.458 ppm2 0.809 CV 1 ASSI { 1965} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 159 and name HA )) 3.900 1.900 1.900 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.92786E-03 ppm1 2.169 ppm2 4.368 CV 1 OR { 1965} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 159 and name HA )) ASSI { 1971} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 141 and name HA )) 4.000 2.000 2.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.92047E-03 ppm1 0.825 ppm2 4.341 CV 1 ASSI { 1972} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.100 1.200 1.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.92018E-03 ppm1 2.899 ppm2 4.675 CV 1 ASSI { 1981} (( segid " " and resid 105 and name HB )) (( segid " " and resid 152 and name HB )) 2.500 0.800 0.800 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.91412E-03 ppm1 2.172 ppm2 1.842 CV 1 ASSI { 1989} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 3.300 1.300 1.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.91017E-03 ppm1 2.197 ppm2 1.676 CV 1 ASSI { 1993} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.800 1.800 1.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.90868E-03 ppm1 1.716 ppm2 0.722 CV 1 ASSI { 2014} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 129 and name HN )) 4.700 2.700 1.300 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.89547E-03 ppm1 1.130 ppm2 7.491 CV 1 ASSI { 2015} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 109 and name HE% ) 5.000 3.100 1.000 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.89541E-03 ppm1 3.842 ppm2 6.860 CV 1 ASSI { 2021} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) 2.900 1.000 1.000 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.89469E-03 ppm1 2.876 ppm2 5.202 CV 1 ASSI { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.89239E-03 ppm1 2.464 ppm2 3.612 CV 1 OR { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2028} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.10029E-01 ppm1 1.129 ppm2 4.122 CV 1 ASSI { 2032} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.900 1.000 1.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.88864E-03 ppm1 2.157 ppm2 3.740 CV 1 ASSI { 2066} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.400 2.400 3.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.87027E-03 ppm1 0.689 ppm2 6.813 CV 1 ASSI { 2085} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 118 and name HA )) 2.500 2.500 3.500 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.86302E-03 ppm1 2.977 ppm2 4.586 CV 1 OR { 2085} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 118 and name HA )) ASSI { 2097} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 119 and name HD2%) 3.400 1.500 1.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.85745E-03 ppm1 1.257 ppm2 0.450 CV 1 ASSI { 2110} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HA )) 3.900 1.900 1.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.85269E-03 ppm1 0.744 ppm2 5.004 CV 1 ASSI { 2122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HB2 )) 3.400 1.400 1.400 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.84589E-03 ppm1 3.612 ppm2 1.763 CV 1 OR { 2122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 2132} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.500 2.500 3.500 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.10145E-01 ppm1 1.262 ppm2 4.563 CV 1 OR { 2132} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) ASSI { 2136} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HE3 )) 3.600 1.600 1.600 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.84061E-03 ppm1 0.693 ppm2 7.010 CV 1 ASSI { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.400 1.500 1.500 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.83977E-03 ppm1 2.716 ppm2 0.820 CV 1 OR { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD2%) ASSI { 2182} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.500 1.500 1.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.82114E-03 ppm1 2.894 ppm2 0.752 CV 1 ASSI { 2183} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HB2 )) 3.900 3.900 2.100 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.82059E-03 ppm1 3.915 ppm2 1.601 CV 1 OR { 2183} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HB2 )) ASSI { 2186} (( segid " " and resid 128 and name HA )) (( segid " " and resid 100 and name HA )) 3.200 1.300 1.300 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.81875E-03 ppm1 4.173 ppm2 4.396 CV 1 ASSI { 2207} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 3.600 1.600 1.600 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.81013E-03 ppm1 0.047 ppm2 2.619 CV 1 ASSI { 2209} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 4.000 2.000 2.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.80919E-03 ppm1 2.582 ppm2 5.855 CV 1 ASSI { 2224} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.700 1.700 1.700 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.80427E-03 ppm1 3.716 ppm2 0.752 CV 1 ASSI { 2234} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 129 and name HA1 )) 3.700 1.700 1.700 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.80129E-03 ppm1 2.170 ppm2 3.730 CV 1 OR { 2234} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 129 and name HA1 )) ASSI { 2243} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HB2 )) 3.300 1.400 1.400 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.79831E-03 ppm1 4.402 ppm2 1.502 CV 1 ASSI { 2275} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 127 and name HG2%) 2.700 0.900 0.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.78979E-03 ppm1 2.876 ppm2 0.757 CV 1 ASSI { 2277} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD1 )) 3.100 1.200 1.200 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.78937E-03 ppm1 2.652 ppm2 7.023 CV 1 ASSI { 2278} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG )) 3.600 1.600 1.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.78911E-03 ppm1 4.665 ppm2 1.456 CV 1 ASSI { 2285} (( segid " " and resid 144 and name HB )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.78772E-03 ppm1 3.942 ppm2 0.706 CV 1 ASSI { 2289} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 147 and name HD% ) 4.100 2.100 1.900 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.78714E-03 ppm1 -0.195 ppm2 6.814 CV 1 ASSI { 2293} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HG13)) 3.400 1.400 1.400 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.78604E-03 ppm1 0.619 ppm2 1.089 CV 1 ASSI { 2303} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 139 and name HG1%) 3.600 1.600 1.600 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.78312E-03 ppm1 3.849 ppm2 0.816 CV 1 ASSI { 2308} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 103 and name HB2 )) 3.900 1.900 1.900 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.78283E-03 ppm1 1.138 ppm2 2.593 CV 1 ASSI { 2316} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.900 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.78131E-03 ppm1 2.585 ppm2 5.171 CV 1 ASSI { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD2%) 3.700 1.800 1.800 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.78027E-03 ppm1 4.328 ppm2 0.719 CV 1 OR { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD1%) ASSI { 2320} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.800 1.000 1.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.77966E-03 ppm1 4.657 ppm2 2.002 CV 1 ASSI { 2325} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.500 3.500 2.500 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.77788E-03 ppm1 2.283 ppm2 4.679 CV 1 ASSI { 2327} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 117 and name HB3 )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.77759E-03 ppm1 4.426 ppm2 1.405 CV 1 ASSI { 2348} (( segid " " and resid 109 and name HA )) ( segid " " and resid 119 and name HD1%) 4.300 2.300 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.77402E-03 ppm1 4.646 ppm2 0.752 CV 1 ASSI { 2386} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 3.400 1.500 1.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.76641E-03 ppm1 4.349 ppm2 4.575 CV 1 ASSI { 2421} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 152 and name HG2%) 3.300 1.400 1.400 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.75738E-03 ppm1 2.886 ppm2 0.652 CV 1 ASSI { 2430} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HA2 )) 3.600 1.600 1.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.75660E-03 ppm1 4.348 ppm2 4.102 CV 1 ASSI { 2431} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HG )) 3.700 1.700 1.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.75657E-03 ppm1 4.102 ppm2 1.432 CV 1 ASSI { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD2 )) 4.200 2.200 1.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.75394E-03 ppm1 1.912 ppm2 3.608 CV 1 OR { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2443} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.500 2.500 3.500 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.75187E-03 ppm1 0.713 ppm2 0.491 CV 1 ASSI { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB2 )) 4.400 2.400 1.600 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.75174E-03 ppm1 5.859 ppm2 1.740 CV 1 OR { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 2463} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 129 and name HN )) 2.600 2.600 3.400 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.74436E-03 ppm1 0.754 ppm2 7.493 CV 1 ASSI { 2483} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG13)) 3.000 1.100 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.74034E-03 ppm1 1.807 ppm2 1.446 CV 1 ASSI { 2487} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 3.000 1.100 1.100 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.73973E-03 ppm1 0.633 ppm2 0.036 CV 1 ASSI { 2489} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB3 )) 3.700 1.700 1.700 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.73888E-03 ppm1 0.049 ppm2 1.184 CV 1 ASSI { 2497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG3 )) 3.500 1.500 1.500 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.73778E-03 ppm1 1.270 ppm2 1.969 CV 1 OR { 2497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) OR { 2497} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HG2 )) 3.600 1.600 1.600 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.73432E-03 ppm1 0.740 ppm2 1.968 CV 1 OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB2 )) OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB3 )) ASSI { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB2 )) 3.900 1.900 1.900 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.73050E-03 ppm1 4.326 ppm2 1.497 CV 1 OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 2546} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 4.800 2.900 1.200 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.72522E-03 ppm1 0.657 ppm2 2.614 CV 1 ASSI { 2547} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HB3 )) 3.600 1.700 1.700 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.72519E-03 ppm1 3.917 ppm2 1.300 CV 1 OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB3 )) OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB2 )) ASSI { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG3 )) 3.300 1.400 1.400 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.72373E-03 ppm1 1.268 ppm2 1.986 CV 1 OR { 2553} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) OR { 2553} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG3 )) OR { 2553} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2585} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.71401E-03 ppm1 2.456 ppm2 5.172 CV 1 ASSI { 2600} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.70996E-03 ppm1 2.006 ppm2 0.713 CV 1 ASSI { 2612} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HD% ) 3.900 1.900 1.900 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.70540E-03 ppm1 4.371 ppm2 7.026 CV 1 ASSI { 2618} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HA )) 3.500 1.500 1.500 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.70332E-03 ppm1 0.787 ppm2 4.368 CV 1 ASSI { 2631} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HG2%) 4.000 2.000 2.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.69869E-03 ppm1 4.769 ppm2 0.752 CV 1 ASSI { 2633} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG )) 3.400 1.400 1.400 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.69847E-03 ppm1 4.658 ppm2 1.838 CV 1 ASSI { 2640} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HG3 )) 4.300 2.300 1.700 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.69730E-03 ppm1 5.045 ppm2 1.966 CV 1 OR { 2640} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 2661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HB )) 3.000 1.100 1.100 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.69303E-03 ppm1 3.743 ppm2 1.796 CV 1 ASSI { 2673} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HB2 )) 2.400 0.700 0.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.69128E-03 ppm1 2.004 ppm2 1.614 CV 1 ASSI { 2688} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 3.700 3.700 2.300 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.68710E-03 ppm1 2.554 ppm2 2.200 CV 1 ASSI { 2713} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 147 and name HD% ) 2.000 0.500 0.500 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.10082E-01 ppm1 1.934 ppm2 6.844 CV 1 ASSI { 2729} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 125 and name HA )) 4.300 2.300 1.700 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.67648E-03 ppm1 0.789 ppm2 4.269 CV 1 ASSI { 2738} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HE22)) 4.100 2.100 1.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.67372E-03 ppm1 4.371 ppm2 6.743 CV 1 ASSI { 2755} (( segid " " and resid 137 and name HA )) ( segid " " and resid 128 and name HG1%) 3.700 1.700 1.700 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.67052E-03 ppm1 5.170 ppm2 0.818 CV 1 ASSI { 2763} (( segid " " and resid 152 and name HA )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.66925E-03 ppm1 5.042 ppm2 0.762 CV 1 ASSI { 2781} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HG )) 4.600 2.700 1.400 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.66605E-03 ppm1 2.975 ppm2 1.427 CV 1 ASSI { 2786} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HG )) 4.700 2.700 1.300 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 3.813 ppm2 1.474 CV 1 ASSI { 2792} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.66466E-03 ppm1 5.013 ppm2 2.975 CV 1 ASSI { 2794} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 122 and name HA1 )) 3.400 1.400 1.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.66427E-03 ppm1 1.988 ppm2 3.401 CV 1 OR { 2794} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 122 and name HA1 )) ASSI { 2801} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HE3 )) 3.500 1.500 1.500 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.66249E-03 ppm1 4.781 ppm2 6.977 CV 1 ASSI { 2818} (( segid " " and resid 152 and name HB )) (( segid " " and resid 103 and name HB2 )) 4.600 2.700 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.65870E-03 ppm1 1.805 ppm2 2.603 CV 1 ASSI { 2829} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.65449E-03 ppm1 1.749 ppm2 1.096 CV 1 ASSI { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB3 )) 4.200 2.200 1.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.65083E-03 ppm1 2.249 ppm2 1.741 CV 1 OR { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB2 )) ASSI { 2869} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 105 and name HB )) 4.100 2.100 1.900 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.64416E-03 ppm1 2.331 ppm2 2.155 CV 1 ASSI { 2885} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.64224E-03 ppm1 2.435 ppm2 5.164 CV 1 ASSI { 2905} (( segid " " and resid 163 and name HA1 )) (( segid " " and resid 164 and name HB )) 4.300 2.300 1.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.63930E-03 ppm1 3.822 ppm2 1.781 CV 1 OR { 2905} (( segid " " and resid 163 and name HA2 )) (( segid " " and resid 164 and name HB )) ASSI { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE2 )) 4.200 2.300 1.800 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.63279E-03 ppm1 1.686 ppm2 2.801 CV 1 OR { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE3 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE3 )) ASSI { 2943} (( segid " " and resid 139 and name HB )) ( segid " " and resid 144 and name HG2%) 3.300 1.400 1.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.63101E-03 ppm1 1.858 ppm2 1.091 CV 1 ASSI { 2947} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.300 1.300 1.300 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.63026E-03 ppm1 1.162 ppm2 0.398 CV 1 ASSI { 2956} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 125 and name HD1%) 4.500 2.500 1.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.62757E-03 ppm1 1.133 ppm2 -0.191 CV 1 ASSI { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.700 1.700 1.700 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.62673E-03 ppm1 4.530 ppm2 3.808 CV 1 OR { 2958} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB3 )) ASSI { 2959} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HE% ) 4.200 2.200 1.800 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.62670E-03 ppm1 4.371 ppm2 6.868 CV 1 ASSI { 2964} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HB2 )) 4.000 2.000 2.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.62566E-03 ppm1 0.729 ppm2 2.600 CV 1 ASSI { 2994} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG3 )) 3.200 1.300 1.300 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 4.661 ppm2 2.465 CV 1 ASSI { 2995} (( segid " " and resid 147 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.800 1.800 1.800 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 2.676 ppm2 0.752 CV 1 ASSI { 3004} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 144 and name HG2%) 4.300 2.300 1.700 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.61585E-03 ppm1 4.425 ppm2 1.095 CV 1 ASSI { 3007} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.61575E-03 ppm1 2.474 ppm2 5.855 CV 1 ASSI { 3018} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 152 and name HG2%) 3.900 1.900 1.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.61443E-03 ppm1 3.721 ppm2 0.652 CV 1 ASSI { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD2 )) 3.600 1.700 1.700 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.61358E-03 ppm1 1.468 ppm2 3.607 CV 1 OR { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD3 )) ASSI { 3030} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 135 and name HB2 )) 3.700 1.700 1.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.61248E-03 ppm1 2.254 ppm2 2.649 CV 1 ASSI { 3039} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.61122E-03 ppm1 5.083 ppm2 1.433 CV 1 ASSI { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB2 )) 3.700 1.700 1.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.60834E-03 ppm1 0.713 ppm2 3.903 CV 1 OR { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB3 )) ASSI { 3066} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 109 and name HB3 )) 4.200 2.200 1.800 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.60775E-03 ppm1 0.452 ppm2 2.869 CV 1 ASSI { 3078} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ3 )) 3.800 1.800 1.800 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.60588E-03 ppm1 0.753 ppm2 7.120 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 154 and name HG2 )) 3.600 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.60468E-03 ppm1 1.992 ppm2 2.317 CV 1 OR { 3085} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 3088} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 119 and name HA )) 4.100 2.100 1.900 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.60435E-03 ppm1 -0.191 ppm2 4.653 CV 1 ASSI { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HG2 )) 2.500 0.800 0.800 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.10163E-01 ppm1 5.343 ppm2 1.937 CV 1 OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB3 )) OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 3126} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HB3 )) 1.700 0.400 0.500 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 1.910 ppm2 2.080 CV 1 ASSI { 3130} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 2.200 0.600 0.600 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 2.323 ppm2 4.327 CV 1 OR { 3130} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) ASSI { 3156} (( segid " " and resid 110 and name HG )) (( segid " " and resid 109 and name HA )) 2.800 1.000 1.000 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.465 ppm2 4.664 CV 1 ASSI { 3161} (( segid " " and resid 152 and name HG13)) (( segid " " and resid 154 and name HA )) 2.400 2.400 3.600 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.451 ppm2 4.344 CV 1 ASSI { 3167} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 119 and name HD1%) 2.000 0.500 0.500 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.616 ppm2 0.751 CV 1 ASSI { 3169} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 105 and name HG2%) 1.700 0.400 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.617 ppm2 0.713 CV 1 ASSI { 3172} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB3 )) 2.400 2.400 3.600 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 2.004 ppm2 2.846 CV 1 ASSI { 3173} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 2.000 ppm2 2.479 CV 1 ASSI { 3175} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG1%) 1.700 0.400 0.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 2.003 ppm2 0.865 CV 1 ASSI { 3176} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD2%) 1.700 0.400 0.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 2.001 ppm2 0.449 CV 1 ASSI { 3179} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 2.000 2.000 4.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.616 ppm2 2.858 CV 1 ASSI { 3180} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.100 2.100 3.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.615 ppm2 4.653 CV 1 ASSI { 3183} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB3 )) 1.400 0.300 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.837 ppm2 2.866 CV 1 ASSI { 3184} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.500 0.800 0.800 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.837 ppm2 2.477 CV 1 ASSI { 3185} (( segid " " and resid 119 and name HG )) (( segid " " and resid 119 and name HB3 )) 1.900 1.900 4.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.838 ppm2 1.992 CV 1 ASSI { 3186} (( segid " " and resid 119 and name HG )) ( segid " " and resid 105 and name HG1%) 2.500 2.500 3.500 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 1.837 ppm2 0.859 CV 1 ASSI { 3190} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 109 and name HD% ) 2.300 0.600 0.600 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.10031E-01 ppm1 0.449 ppm2 7.033 CV 1 ASSI { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HG )) 2.100 0.600 0.600 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 0.714 ppm2 1.494 CV 1 OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HG )) OR { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HB2 )) OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB3 )) ASSI { 3194} ( segid " " and resid 155 and name HD1%) ( segid " " and resid 152 and name HD1%) 1.600 1.600 4.400 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 0.714 ppm2 0.714 CV 1 ASSI { 3196} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HA )) 2.000 0.500 0.500 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.121 ppm2 4.817 CV 1 ASSI { 3198} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HG13)) 1.800 0.400 0.400 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.122 ppm2 1.565 CV 1 ASSI { 3201} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HA )) 2.200 0.600 0.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.563 ppm2 4.818 CV 1 ASSI { 3202} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HB )) 2.100 0.500 0.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.565 ppm2 1.767 CV 1 ASSI { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HD1%) 2.200 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.564 ppm2 0.722 CV 1 ASSI { 3207} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG13)) 2.300 0.700 0.700 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 0.657 ppm2 1.438 CV 1 ASSI { 3215} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HB )) 1.900 1.900 4.100 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.277 ppm2 1.797 CV 1 ASSI { 3216} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HG13)) 1.700 0.400 0.500 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.278 ppm2 1.427 CV 1 ASSI { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) 1.900 0.500 0.500 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.278 ppm2 0.655 CV 1 ASSI { 3223} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.300 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 2.204 ppm2 5.172 CV 1 ASSI { 3224} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HA )) 2.300 0.700 0.700 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 2.197 ppm2 5.342 CV 1 ASSI { 3225} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HA )) 2.300 2.300 3.700 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.958 ppm2 5.342 CV 1 ASSI { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE3 )) 2.300 2.300 3.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 4.551 ppm2 2.800 CV 1 OR { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE2 )) ASSI { 3227} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.000 0.500 0.500 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.10035E-01 ppm1 2.324 ppm2 1.913 CV 1 OR { 3227} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3229} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 147 and name HD% ) 2.800 2.800 3.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.10082E-01 ppm1 2.868 ppm2 6.844 CV 1 ASSI { 3233} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG12)) 2.200 2.200 3.800 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.10082E-01 ppm1 2.973 ppm2 1.286 CV 1 ASSI { 3234} (( segid " " and resid 149 and name HA )) ( segid " " and resid 147 and name HD% ) 2.100 2.100 3.900 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.10082E-01 ppm1 2.971 ppm2 6.839 CV 1 ASSI { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD2%) 2.400 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.70025E-02 ppm1 7.381 ppm2 0.721 CV 1 OR { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD1%) ASSI { 17} ( segid " " and resid 151 and name HE% ) ( segid " " and resid 151 and name HD% ) 2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15790E-01 ppm1 7.284 ppm2 7.029 CV 1 ASSI { 18} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 136 and name HZ3 )) 2.600 2.600 3.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.15729E-01 ppm1 7.231 ppm2 7.165 CV 1 ASSI { 32} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 107 and name HD% ) 2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.66744E-02 ppm1 7.135 ppm2 6.934 CV 1 ASSI { 50} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 136 and name HZ2 )) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.27062E-02 ppm1 7.145 ppm2 7.384 CV 1 ASSI { 52} ( segid " " and resid 109 and name HE% ) ( segid " " and resid 109 and name HD% ) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.26718E-02 ppm1 6.897 ppm2 7.063 CV 1 ASSI { 92} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HD1 )) 3.200 3.200 2.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 6.480 ppm2 7.019 CV 1 ASSI { 99} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB3 )) 2.200 2.200 3.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.69601E-02 ppm1 7.086 ppm2 2.906 CV 1 ASSI { 101} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB2 )) 3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.14890E-02 ppm1 7.281 ppm2 2.911 CV 1 ASSI { 105} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14314E-02 ppm1 6.937 ppm2 4.706 CV 1 ASSI { 109} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB2 )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13957E-02 ppm1 7.030 ppm2 2.909 CV 1 ASSI { 111} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 109 and name HE% ) 3.600 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13089E-02 ppm1 7.240 ppm2 6.882 CV 1 ASSI { 119} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11897E-02 ppm1 7.062 ppm2 4.689 CV 1 ASSI { 135} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.99684E-03 ppm1 7.065 ppm2 2.505 CV 1 ASSI { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 119 and name HD1%) 2.400 2.400 3.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.94470E-03 ppm1 7.030 ppm2 0.756 CV 1 ASSI { 147} (( segid " " and resid 136 and name HE3 )) (( segid " " and resid 136 and name HZ3 )) 2.900 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.92177E-03 ppm1 6.957 ppm2 7.126 CV 1 ASSI { 151} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HA )) 3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.88728E-03 ppm1 7.028 ppm2 4.703 CV 1 ASSI { 152} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB3 )) 3.300 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.88660E-03 ppm1 6.939 ppm2 2.922 CV 1 ASSI { 155} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HA )) 3.500 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.87452E-03 ppm1 6.936 ppm2 4.571 CV 1 ASSI { 156} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 103 and name HB2 )) 2.400 2.400 3.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.70025E-02 ppm1 7.136 ppm2 2.646 CV 1 ASSI { 157} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB3 )) 3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.86010E-03 ppm1 7.066 ppm2 2.885 CV 1 ASSI { 166} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HE3 )) 3.400 3.400 2.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.78183E-03 ppm1 7.395 ppm2 6.995 CV 1 ASSI { 178} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 147 and name HB2 )) 3.200 1.300 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.73924E-03 ppm1 6.841 ppm2 2.662 CV 1 ASSI { 186} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HA )) 2.500 2.500 3.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.70750E-03 ppm1 7.285 ppm2 4.694 CV 1 ASSI { 188} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 151 and name HA )) 3.600 1.700 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.70281E-03 ppm1 7.137 ppm2 4.700 CV 1 ASSI { 197} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.67366E-03 ppm1 7.064 ppm2 0.772 CV 1 ASSI { 230} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB3 )) 4.200 2.300 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.58185E-03 ppm1 7.281 ppm2 3.738 CV 1 ASSI { 239} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB3 )) 3.500 1.500 1.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.57271E-03 ppm1 7.029 ppm2 3.753 CV 1 ASSI { 258} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.400 2.400 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.54123E-03 ppm1 7.130 ppm2 2.297 CV 1 ASSI { 266} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 107 and name HB2 )) 3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.52964E-03 ppm1 7.028 ppm2 2.310 CV 1 ASSI { 290} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 132 and name HB2 )) 4.100 2.100 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.50593E-03 ppm1 7.058 ppm2 2.036 CV 1 ASSI { 297} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 4.300 2.300 1.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.50266E-03 ppm1 8.749 ppm2 7.101 CV 1 ASSI { 308} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 4.400 2.500 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.49320E-03 ppm1 8.161 ppm2 8.059 CV 1 ASSI { 315} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.600 1.600 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.48177E-03 ppm1 7.030 ppm2 2.509 CV 1 ASSI { 318} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB3 )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.47717E-03 ppm1 7.057 ppm2 2.853 CV 1 ASSI { 357} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB2 )) 4.100 2.100 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.44809E-03 ppm1 7.082 ppm2 1.520 CV 1 ASSI { 371} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 147 and name HB2 )) 4.300 2.300 1.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.44294E-03 ppm1 7.137 ppm2 2.648 CV 1 ASSI { 376} (( segid " " and resid 136 and name HZ3 )) ( segid " " and resid 152 and name HD1%) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.70025E-02 ppm1 7.143 ppm2 0.714 CV 1 ASSI { 411} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 117 and name HD1%) 3.200 3.200 2.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.41891E-03 ppm1 7.237 ppm2 0.679 CV 1 OR { 411} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 117 and name HD2%) ASSI { 414} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 150 and name HB3 )) 3.500 1.500 1.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.41810E-03 ppm1 7.027 ppm2 2.648 CV 1 ASSI { 421} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.500 2.600 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.41464E-03 ppm1 7.105 ppm2 2.900 CV 1 ASSI { 436} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 152 and name HG12)) 3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.40576E-03 ppm1 6.841 ppm2 1.272 CV 1 ASSI { 440} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 134 and name HA2 )) 2.300 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 7.052 ppm2 3.957 CV 1 ASSI { 442} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.300 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 6.937 ppm2 2.301 CV 1 ASSI { 445} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HA )) 2.700 2.700 3.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 7.137 ppm2 4.569 CV 1 ASSI { 448} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 106 and name HB% ) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 7.137 ppm2 0.864 CV 1 ASSI { 449} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 147 and name HE% ) 2.100 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 6.845 ppm2 7.241 CV 1 ASSI { 450} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 119 and name HD2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 6.843 ppm2 0.457 CV 1 ASSI { 452} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.600 2.600 3.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.68810E-02 ppm1 6.896 ppm2 2.004 CV 1 ASSI { 2} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 9.739 ppm2 0.730 CV 1 ASSI { 5} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB2 )) 2.100 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.59169E-02 ppm1 7.341 ppm2 2.560 CV 1 ASSI { 6} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.59169E-02 ppm1 6.600 ppm2 2.560 CV 1 ASSI { 7} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.59679E-02 ppm1 8.546 ppm2 2.618 CV 1 ASSI { 8} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG1%) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.59707E-02 ppm1 9.154 ppm2 0.836 CV 1 ASSI { 15} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.59169E-02 ppm1 6.601 ppm2 4.514 CV 1 ASSI { 16} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.59169E-02 ppm1 9.026 ppm2 2.334 CV 1 ASSI { 46} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HE22)) 1.300 0.200 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.46126E-01 ppm1 7.578 ppm2 6.770 CV 1 ASSI { 47} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HD21)) 1.500 0.300 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.44544E-01 ppm1 7.079 ppm2 7.696 CV 1 ASSI { 71} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HD22)) 1.800 0.400 0.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.23340E-01 ppm1 7.342 ppm2 6.596 CV 1 ASSI { 80} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HD22)) 1.800 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.20398E-01 ppm1 7.443 ppm2 6.586 CV 1 ASSI { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA1 )) 2.200 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.13183E-01 ppm1 8.239 ppm2 3.822 CV 1 OR { 107} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA2 )) ASSI { 110} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12711E-01 ppm1 8.440 ppm2 4.616 CV 1 ASSI { 114} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 2.500 3.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12297E-01 ppm1 8.255 ppm2 4.561 CV 1 ASSI { 115} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.400 2.400 3.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12191E-01 ppm1 8.060 ppm2 4.567 CV 1 ASSI { 117} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.900 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12094E-01 ppm1 7.499 ppm2 4.662 CV 1 ASSI { 118} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11697E-01 ppm1 8.347 ppm2 4.243 CV 1 ASSI { 120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11561E-01 ppm1 8.310 ppm2 4.414 CV 1 ASSI { 125} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11104E-01 ppm1 9.875 ppm2 7.039 CV 1 ASSI { 127} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.10986E-01 ppm1 8.282 ppm2 4.255 CV 1 ASSI { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA1 )) 2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.10667E-01 ppm1 7.855 ppm2 3.833 CV 1 OR { 129} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA2 )) ASSI { 131} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.300 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10319E-01 ppm1 8.485 ppm2 4.406 CV 1 ASSI { 138} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.300 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.95530E-02 ppm1 8.159 ppm2 4.173 CV 1 ASSI { 140} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.93576E-02 ppm1 7.855 ppm2 1.781 CV 1 ASSI { 141} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.92637E-02 ppm1 8.692 ppm2 4.463 CV 1 ASSI { 143} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.90963E-02 ppm1 8.785 ppm2 4.063 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.90903E-02 ppm1 8.912 ppm2 4.567 CV 1 ASSI { 145} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.90180E-02 ppm1 8.921 ppm2 4.584 CV 1 ASSI { 146} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.89743E-02 ppm1 8.060 ppm2 0.794 CV 1 ASSI { 147} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.87355E-02 ppm1 7.876 ppm2 4.362 CV 1 ASSI { 149} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.86388E-02 ppm1 8.326 ppm2 4.565 CV 1 ASSI { 150} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.300 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.85930E-02 ppm1 8.060 ppm2 1.720 CV 1 ASSI { 152} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.200 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.85429E-02 ppm1 7.977 ppm2 4.293 CV 1 ASSI { 155} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.80584E-02 ppm1 8.239 ppm2 4.228 CV 1 ASSI { 156} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.78048E-02 ppm1 10.056 ppm2 7.078 CV 1 ASSI { 159} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.76318E-02 ppm1 8.158 ppm2 1.609 CV 1 ASSI { 160} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.75391E-02 ppm1 8.979 ppm2 5.457 CV 1 ASSI { 161} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.75186E-02 ppm1 8.306 ppm2 4.396 CV 1 ASSI { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.74753E-02 ppm1 8.315 ppm2 3.961 CV 1 OR { 162} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.74629E-02 ppm1 9.127 ppm2 5.046 CV 1 ASSI { 165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.73051E-02 ppm1 8.575 ppm2 4.689 CV 1 ASSI { 166} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.100 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.72907E-02 ppm1 9.062 ppm2 4.672 CV 1 ASSI { 169} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.71916E-02 ppm1 9.739 ppm2 4.685 CV 1 ASSI { 170} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 2.000 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.71217E-02 ppm1 9.005 ppm2 4.784 CV 1 ASSI { 171} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.69636E-02 ppm1 8.198 ppm2 1.885 CV 1 ASSI { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA1 )) 2.600 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.69006E-02 ppm1 8.541 ppm2 3.948 CV 1 OR { 173} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA2 )) ASSI { 175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 8.347 ppm2 1.635 CV 1 ASSI { 178} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.200 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.66758E-02 ppm1 8.677 ppm2 4.835 CV 1 ASSI { 179} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.65514E-02 ppm1 7.830 ppm2 1.726 CV 1 ASSI { 180} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.64250E-02 ppm1 8.343 ppm2 3.742 CV 1 ASSI { 182} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.62568E-02 ppm1 9.739 ppm2 4.356 CV 1 ASSI { 184} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.60782E-02 ppm1 8.534 ppm2 4.448 CV 1 ASSI { 185} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.60582E-02 ppm1 8.545 ppm2 4.346 CV 1 ASSI { 187} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.59205E-02 ppm1 8.541 ppm2 4.289 CV 1 ASSI { 188} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HG2%) 2.900 2.900 3.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.59057E-02 ppm1 7.475 ppm2 0.782 CV 1 ASSI { 189} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.58009E-02 ppm1 8.473 ppm2 3.491 CV 1 ASSI { 190} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.400 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.57231E-02 ppm1 7.876 ppm2 1.934 CV 1 ASSI { 191} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.57231E-02 ppm1 8.473 ppm2 4.789 CV 1 ASSI { 192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.57050E-02 ppm1 8.476 ppm2 7.405 CV 1 ASSI { 193} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.300 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.57030E-02 ppm1 9.121 ppm2 5.874 CV 1 ASSI { 195} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.56448E-02 ppm1 8.599 ppm2 4.097 CV 1 ASSI { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.56175E-02 ppm1 7.500 ppm2 1.326 CV 1 OR { 196} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) ASSI { 198} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) 2.400 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.55878E-02 ppm1 7.855 ppm2 4.028 CV 1 ASSI { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.600 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.55750E-02 ppm1 7.977 ppm2 1.947 CV 1 OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 199} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG2 )) ASSI { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB3 )) 2.400 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.55461E-02 ppm1 8.545 ppm2 1.513 CV 1 OR { 200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 202} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.300 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.54843E-02 ppm1 8.971 ppm2 5.365 CV 1 ASSI { 203} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.54815E-02 ppm1 7.525 ppm2 3.696 CV 1 ASSI { 204} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.54486E-02 ppm1 9.533 ppm2 5.187 CV 1 ASSI { 205} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.54305E-02 ppm1 8.345 ppm2 4.022 CV 1 ASSI { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB3 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53438E-02 ppm1 8.306 ppm2 2.614 CV 1 OR { 208} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 211} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.300 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.52989E-02 ppm1 9.110 ppm2 5.390 CV 1 ASSI { 212} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.52158E-02 ppm1 8.476 ppm2 4.724 CV 1 ASSI { 215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) 3.500 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.51030E-02 ppm1 8.141 ppm2 2.166 CV 1 ASSI { 216} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.300 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.51002E-02 ppm1 8.974 ppm2 5.017 CV 1 ASSI { 217} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.50910E-02 ppm1 8.141 ppm2 4.408 CV 1 ASSI { 218} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.50853E-02 ppm1 8.141 ppm2 2.752 CV 1 ASSI { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 2.900 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.50332E-02 ppm1 8.254 ppm2 3.931 CV 1 OR { 219} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 225} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.100 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.47731E-02 ppm1 7.392 ppm2 9.029 CV 1 ASSI { 227} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 3.400 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.47145E-02 ppm1 7.854 ppm2 0.778 CV 1 ASSI { 229} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.46563E-02 ppm1 9.126 ppm2 0.724 CV 1 ASSI { 231} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.400 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.46551E-02 ppm1 8.759 ppm2 5.215 CV 1 ASSI { 234} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG12)) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.45740E-02 ppm1 7.855 ppm2 1.072 CV 1 ASSI { 235} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.45680E-02 ppm1 8.912 ppm2 4.065 CV 1 ASSI { 236} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.500 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.45588E-02 ppm1 8.576 ppm2 2.670 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.45223E-02 ppm1 8.473 ppm2 4.115 CV 1 ASSI { 239} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.45090E-02 ppm1 8.306 ppm2 4.563 CV 1 ASSI { 240} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.300 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.44853E-02 ppm1 9.072 ppm2 5.046 CV 1 ASSI { 242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.44556E-02 ppm1 8.350 ppm2 4.295 CV 1 ASSI { 243} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.44468E-02 ppm1 9.027 ppm2 4.385 CV 1 ASSI { 247} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44063E-02 ppm1 7.703 ppm2 2.726 CV 1 ASSI { 248} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.000 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.44051E-02 ppm1 8.912 ppm2 2.234 CV 1 ASSI { 249} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.000 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.43722E-02 ppm1 7.374 ppm2 9.072 CV 1 ASSI { 250} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.800 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.43653E-02 ppm1 8.363 ppm2 4.515 CV 1 ASSI { 251} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.43517E-02 ppm1 8.922 ppm2 1.932 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.43368E-02 ppm1 8.440 ppm2 3.966 CV 1 ASSI { 255} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB3 )) 2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.42987E-02 ppm1 7.829 ppm2 1.854 CV 1 ASSI { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.900 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42843E-02 ppm1 8.309 ppm2 3.817 CV 1 OR { 256} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) ASSI { 257} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42498E-02 ppm1 9.074 ppm2 3.755 CV 1 ASSI { 260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.42329E-02 ppm1 8.326 ppm2 4.173 CV 1 ASSI { 261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.600 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.42237E-02 ppm1 8.428 ppm2 5.175 CV 1 ASSI { 263} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HZ2 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.41867E-02 ppm1 9.875 ppm2 7.285 CV 1 ASSI { 264} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.41823E-02 ppm1 9.072 ppm2 1.817 CV 1 ASSI { 265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41526E-02 ppm1 8.861 ppm2 4.565 CV 1 ASSI { 268} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.000 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40748E-02 ppm1 8.476 ppm2 2.805 CV 1 ASSI { 270} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 3.300 2.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.40744E-02 ppm1 8.377 ppm2 1.953 CV 1 ASSI { 271} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.40459E-02 ppm1 9.154 ppm2 4.148 CV 1 ASSI { 273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.39806E-02 ppm1 8.474 ppm2 4.358 CV 1 ASSI { 274} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HG2%) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.39766E-02 ppm1 9.154 ppm2 0.775 CV 1 ASSI { 275} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.39587E-02 ppm1 10.056 ppm2 7.392 CV 1 ASSI { 277} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HG13)) 2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.39342E-02 ppm1 7.854 ppm2 1.348 CV 1 ASSI { 278} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.200 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.39332E-02 ppm1 8.476 ppm2 2.719 CV 1 ASSI { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.39222E-02 ppm1 8.454 ppm2 3.852 CV 1 OR { 280} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 281} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.39045E-02 ppm1 7.830 ppm2 4.617 CV 1 ASSI { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.600 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.38516E-02 ppm1 7.830 ppm2 8.464 CV 1 ASSI { 284} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.900 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.37855E-02 ppm1 9.074 ppm2 0.858 CV 1 ASSI { 285} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.300 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.37848E-02 ppm1 7.402 ppm2 2.469 CV 1 ASSI { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.37765E-02 ppm1 8.454 ppm2 1.514 CV 1 OR { 286} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) ASSI { 288} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.37336E-02 ppm1 8.344 ppm2 1.517 CV 1 ASSI { 291} (( segid " " and resid 145 and name HN )) ( segid " " and resid 127 and name HG1%) 3.200 3.200 2.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36489E-02 ppm1 8.979 ppm2 1.117 CV 1 ASSI { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.36162E-02 ppm1 8.922 ppm2 1.873 CV 1 ASSI { 295} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36102E-02 ppm1 8.785 ppm2 3.546 CV 1 ASSI { 297} (( segid " " and resid 145 and name HN )) ( segid " " and resid 139 and name HG2%) 2.200 2.200 3.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.35720E-02 ppm1 8.979 ppm2 0.726 CV 1 ASSI { 298} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HN )) 1.900 0.400 0.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.35458E-02 ppm1 8.239 ppm2 7.849 CV 1 ASSI { 299} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HD1%) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35085E-02 ppm1 7.125 ppm2 0.686 CV 1 ASSI { 300} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35078E-02 ppm1 8.141 ppm2 2.340 CV 1 ASSI { 301} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB2 )) 3.500 1.600 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34987E-02 ppm1 7.079 ppm2 2.727 CV 1 ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.34547E-02 ppm1 8.141 ppm2 8.446 CV 1 ASSI { 304} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.34309E-02 ppm1 8.923 ppm2 0.828 CV 1 ASSI { 305} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34265E-02 ppm1 7.392 ppm2 4.685 CV 1 ASSI { 306} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB )) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.34253E-02 ppm1 8.244 ppm2 1.898 CV 1 ASSI { 307} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.33926E-02 ppm1 7.545 ppm2 7.124 CV 1 ASSI { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.500 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.33666E-02 ppm1 8.921 ppm2 1.705 CV 1 OR { 310} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) ASSI { 311} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.500 1.500 1.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.33583E-02 ppm1 8.921 ppm2 2.368 CV 1 ASSI { 312} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 3.200 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.33553E-02 ppm1 7.374 ppm2 0.844 CV 1 ASSI { 313} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.33486E-02 ppm1 7.975 ppm2 0.419 CV 1 ASSI { 314} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 8.362 ppm2 8.780 CV 1 ASSI { 315} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33408E-02 ppm1 8.343 ppm2 4.408 CV 1 ASSI { 316} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 2.300 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.33194E-02 ppm1 9.110 ppm2 0.880 CV 1 ASSI { 317} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) 2.900 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.33034E-02 ppm1 8.351 ppm2 0.842 CV 1 ASSI { 320} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA1 )) 3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.32613E-02 ppm1 8.923 ppm2 3.860 CV 1 ASSI { 321} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32547E-02 ppm1 9.110 ppm2 2.163 CV 1 ASSI { 325} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 3.200 1.300 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.32153E-02 ppm1 8.921 ppm2 2.104 CV 1 ASSI { 327} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HG1%) 2.900 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.31917E-02 ppm1 9.004 ppm2 1.143 CV 1 ASSI { 328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.31864E-02 ppm1 8.243 ppm2 1.675 CV 1 ASSI { 330} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.31675E-02 ppm1 8.923 ppm2 5.239 CV 1 ASSI { 331} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.900 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.31602E-02 ppm1 8.678 ppm2 0.771 CV 1 ASSI { 332} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 3.200 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31271E-02 ppm1 9.071 ppm2 0.688 CV 1 ASSI { 333} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.31076E-02 ppm1 7.876 ppm2 1.786 CV 1 ASSI { 335} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB )) 3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.30734E-02 ppm1 7.475 ppm2 1.898 CV 1 ASSI { 336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.30614E-02 ppm1 8.974 ppm2 1.817 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.30323E-02 ppm1 7.545 ppm2 2.914 CV 1 ASSI { 340} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30274E-02 ppm1 8.811 ppm2 4.435 CV 1 ASSI { 342} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.29911E-02 ppm1 8.442 ppm2 3.428 CV 1 ASSI { 343} (( segid " " and resid 143 and name HN )) ( segid " " and resid 139 and name HG2%) 2.900 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.29822E-02 ppm1 7.830 ppm2 0.727 CV 1 ASSI { 344} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 8.242 ppm2 4.286 CV 1 ASSI { 347} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA1 )) 3.000 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.29596E-02 ppm1 8.812 ppm2 3.835 CV 1 ASSI { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 2.900 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29520E-02 ppm1 8.759 ppm2 1.749 CV 1 OR { 348} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 349} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.29453E-02 ppm1 8.575 ppm2 4.509 CV 1 ASSI { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) 3.400 1.400 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.29181E-02 ppm1 8.198 ppm2 2.180 CV 1 OR { 350} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 351} (( segid " " and resid 123 and name HN )) ( segid " " and resid 105 and name HG1%) 2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.29125E-02 ppm1 8.141 ppm2 0.861 CV 1 ASSI { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) 3.200 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 9.739 ppm2 0.844 CV 1 OR { 356} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) ASSI { 358} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB3 )) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.28553E-02 ppm1 8.363 ppm2 2.636 CV 1 ASSI { 362} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 8.254 ppm2 4.099 CV 1 ASSI { 363} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.300 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.27757E-02 ppm1 8.255 ppm2 2.916 CV 1 ASSI { 365} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.27658E-02 ppm1 8.921 ppm2 4.347 CV 1 ASSI { 369} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.26994E-02 ppm1 8.363 ppm2 2.560 CV 1 ASSI { 370} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.26886E-02 ppm1 8.473 ppm2 0.731 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.26846E-02 ppm1 7.475 ppm2 4.179 CV 1 ASSI { 373} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.26583E-02 ppm1 8.362 ppm2 2.667 CV 1 ASSI { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) 3.600 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.26504E-02 ppm1 8.329 ppm2 2.617 CV 1 OR { 374} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB3 )) ASSI { 376} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.26031E-02 ppm1 8.350 ppm2 1.900 CV 1 ASSI { 377} (( segid " " and resid 132 and name HN )) ( segid " " and resid 131 and name HG1%) 3.600 1.600 1.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.25995E-02 ppm1 8.244 ppm2 0.848 CV 1 OR { 377} (( segid " " and resid 132 and name HN )) ( segid " " and resid 131 and name HG2%) ASSI { 378} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.800 1.800 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 9.062 ppm2 1.771 CV 1 ASSI { 383} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.25311E-02 ppm1 8.442 ppm2 4.445 CV 1 ASSI { 384} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 1.800 0.400 0.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.25231E-02 ppm1 9.154 ppm2 7.470 CV 1 ASSI { 386} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 2.700 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.25188E-02 ppm1 8.309 ppm2 2.050 CV 1 ASSI { 387} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 8.677 ppm2 1.281 CV 1 ASSI { 390} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.24328E-02 ppm1 8.350 ppm2 5.220 CV 1 ASSI { 391} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HB3 )) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 7.703 ppm2 2.992 CV 1 ASSI { 392} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24204E-02 ppm1 7.830 ppm2 9.124 CV 1 ASSI { 393} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 2.800 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.24078E-02 ppm1 9.074 ppm2 0.722 CV 1 ASSI { 394} (( segid " " and resid 139 and name HN )) ( segid " " and resid 125 and name HG2%) 2.900 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 8.923 ppm2 0.419 CV 1 ASSI { 395} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG2 )) 3.400 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 7.578 ppm2 2.337 CV 1 ASSI { 396} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.23959E-02 ppm1 8.244 ppm2 4.567 CV 1 ASSI { 398} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB3 )) 2.500 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 9.127 ppm2 1.763 CV 1 ASSI { 401} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.23616E-02 ppm1 8.238 ppm2 1.510 CV 1 ASSI { 402} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) 3.400 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.23498E-02 ppm1 8.759 ppm2 1.962 CV 1 ASSI { 407} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 2.900 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 8.362 ppm2 7.049 CV 1 ASSI { 408} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB3 )) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.22791E-02 ppm1 7.443 ppm2 2.823 CV 1 ASSI { 409} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA2 )) 2.900 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.22779E-02 ppm1 7.475 ppm2 4.023 CV 1 ASSI { 411} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HB3 )) 3.600 1.700 1.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.22683E-02 ppm1 7.341 ppm2 2.642 CV 1 ASSI { 412} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 8.979 ppm2 4.436 CV 1 ASSI { 414} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 8.758 ppm2 2.893 CV 1 ASSI { 415} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.22178E-02 ppm1 8.311 ppm2 2.346 CV 1 ASSI { 417} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HA )) 3.100 1.200 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.21941E-02 ppm1 9.075 ppm2 5.047 CV 1 ASSI { 422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.21469E-02 ppm1 8.979 ppm2 3.834 CV 1 ASSI { 424} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.400 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.21389E-02 ppm1 8.812 ppm2 1.973 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD1%) 3.200 1.300 1.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21238E-02 ppm1 8.453 ppm2 0.745 CV 1 OR { 426} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) ASSI { 431} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.600 1.600 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 7.544 ppm2 3.740 CV 1 ASSI { 432} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA1 )) 2.400 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.20921E-02 ppm1 7.475 ppm2 3.743 CV 1 ASSI { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 8.599 ppm2 3.932 CV 1 OR { 433} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) ASSI { 435} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) 3.700 1.700 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 9.072 ppm2 1.282 CV 1 ASSI { 437} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.20384E-02 ppm1 8.243 ppm2 1.815 CV 1 ASSI { 438} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.20304E-02 ppm1 7.876 ppm2 1.276 CV 1 ASSI { 441} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA1 )) 3.000 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.20137E-02 ppm1 9.533 ppm2 3.859 CV 1 ASSI { 445} (( segid " " and resid 145 and name HN )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19983E-02 ppm1 8.979 ppm2 9.534 CV 1 ASSI { 446} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.19941E-02 ppm1 7.544 ppm2 8.360 CV 1 ASSI { 449} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.600 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 8.861 ppm2 2.488 CV 1 ASSI { 451} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.19433E-02 ppm1 8.428 ppm2 2.470 CV 1 ASSI { 453} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.700 1.700 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19339E-02 ppm1 7.374 ppm2 2.916 CV 1 ASSI { 457} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.19064E-02 ppm1 8.599 ppm2 4.670 CV 1 ASSI { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.300 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.19029E-02 ppm1 7.500 ppm2 0.789 CV 1 OR { 458} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) ASSI { 459} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19027E-02 ppm1 7.500 ppm2 1.462 CV 1 ASSI { 460} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.700 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 8.973 ppm2 2.972 CV 1 ASSI { 462} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB )) 2.100 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 9.153 ppm2 1.923 CV 1 ASSI { 463} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HB3 )) 4.200 2.200 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 7.079 ppm2 2.992 CV 1 ASSI { 464} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HB3 )) 3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 10.056 ppm2 1.720 CV 1 ASSI { 465} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HE% ) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.18534E-02 ppm1 9.533 ppm2 6.855 CV 1 ASSI { 469} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.300 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.18377E-02 ppm1 7.374 ppm2 4.561 CV 1 ASSI { 471} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.300 1.400 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 8.238 ppm2 1.607 CV 1 ASSI { 472} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD% ) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.18353E-02 ppm1 9.121 ppm2 6.830 CV 1 ASSI { 473} (( segid " " and resid 141 and name HD21)) ( segid " " and resid 105 and name HG1%) 2.400 2.400 3.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.18348E-02 ppm1 7.702 ppm2 0.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD2%) 3.600 1.600 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.18239E-02 ppm1 8.159 ppm2 0.774 CV 1 OR { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD1%) ASSI { 477} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18103E-02 ppm1 7.442 ppm2 2.693 CV 1 ASSI { 478} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.200 2.200 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 9.121 ppm2 2.049 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) 3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 8.243 ppm2 1.537 CV 1 OR { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 8.306 ppm2 3.822 CV 1 OR { 480} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 481} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.600 1.700 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.17943E-02 ppm1 8.472 ppm2 2.892 CV 1 ASSI { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.17902E-02 ppm1 8.244 ppm2 2.181 CV 1 OR { 482} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG3 )) ASSI { 483} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 7.402 ppm2 4.728 CV 1 ASSI { 485} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17680E-02 ppm1 9.027 ppm2 4.218 CV 1 ASSI { 486} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.900 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.17627E-02 ppm1 8.472 ppm2 1.951 CV 1 ASSI { 487} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 4.300 2.300 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.17625E-02 ppm1 8.441 ppm2 1.722 CV 1 ASSI { 488} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HA )) 3.500 1.500 1.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 7.392 ppm2 4.388 CV 1 ASSI { 490} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.17509E-02 ppm1 8.602 ppm2 2.015 CV 1 ASSI { 493} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA1 )) 2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 8.141 ppm2 3.426 CV 1 ASSI { 494} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17408E-02 ppm1 8.141 ppm2 9.095 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.600 0.800 0.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17286E-02 ppm1 7.392 ppm2 4.205 CV 1 ASSI { 498} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG12)) 4.000 2.000 2.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.17221E-02 ppm1 7.125 ppm2 1.290 CV 1 ASSI { 500} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17114E-02 ppm1 7.526 ppm2 8.358 CV 1 ASSI { 501} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.17090E-02 ppm1 7.978 ppm2 4.786 CV 1 ASSI { 502} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 8.973 ppm2 2.619 CV 1 ASSI { 503} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.500 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.17011E-02 ppm1 7.829 ppm2 3.494 CV 1 ASSI { 504} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.16948E-02 ppm1 8.545 ppm2 5.017 CV 1 ASSI { 505} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.900 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.16847E-02 ppm1 7.879 ppm2 4.564 CV 1 ASSI { 506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG12)) 3.900 1.900 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.16834E-02 ppm1 8.678 ppm2 1.109 CV 1 ASSI { 507} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 8.362 ppm2 2.838 CV 1 ASSI { 508} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 8.427 ppm2 4.380 CV 1 ASSI { 509} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.16729E-02 ppm1 9.128 ppm2 4.673 CV 1 ASSI { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD2%) 3.400 1.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.16493E-02 ppm1 8.544 ppm2 0.740 CV 1 OR { 514} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD1%) ASSI { 518} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 9.062 ppm2 0.745 CV 1 ASSI { 519} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.900 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 7.398 ppm2 5.176 CV 1 ASSI { 520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.16264E-02 ppm1 7.830 ppm2 4.112 CV 1 ASSI { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.300 2.300 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16208E-02 ppm1 8.974 ppm2 1.512 CV 1 OR { 521} (( segid " " and resid 104 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 523} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HD1%) 4.500 2.500 1.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16091E-02 ppm1 7.545 ppm2 0.688 CV 1 ASSI { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB3 )) 4.000 2.000 2.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.16058E-02 ppm1 7.474 ppm2 1.763 CV 1 OR { 524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 525} (( segid " " and resid 139 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.16054E-02 ppm1 8.923 ppm2 7.969 CV 1 ASSI { 529} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HG2%) 4.500 2.500 1.500 peak 529 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 9.004 ppm2 0.779 CV 1 ASSI { 530} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HG2%) 4.100 2.100 1.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 9.532 ppm2 0.723 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 9.026 ppm2 2.503 CV 1 ASSI { 532} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HE3 )) 2.900 2.900 3.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.141 ppm2 2.898 CV 1 OR { 532} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HE2 )) ASSI { 533} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.15564E-02 ppm1 9.127 ppm2 1.172 CV 1 ASSI { 534} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.15498E-02 ppm1 8.350 ppm2 1.723 CV 1 ASSI { 536} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.15460E-02 ppm1 8.442 ppm2 5.463 CV 1 ASSI { 537} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 9.072 ppm2 4.583 CV 1 ASSI { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB3 )) 3.400 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.15435E-02 ppm1 8.971 ppm2 1.514 CV 1 OR { 538} (( segid " " and resid 103 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 541} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.15378E-02 ppm1 7.524 ppm2 2.992 CV 1 ASSI { 542} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15348E-02 ppm1 7.374 ppm2 2.290 CV 1 ASSI { 543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.15255E-02 ppm1 8.349 ppm2 3.986 CV 1 ASSI { 544} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.400 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.15244E-02 ppm1 8.435 ppm2 1.441 CV 1 ASSI { 547} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.400 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 8.158 ppm2 2.002 CV 1 ASSI { 550} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 140 and name HG )) 4.700 2.800 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 7.079 ppm2 1.445 CV 1 ASSI { 551} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.15009E-02 ppm1 8.602 ppm2 2.491 CV 1 ASSI { 552} (( segid " " and resid 137 and name HN )) (( segid " " and resid 129 and name HN )) 3.400 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 8.759 ppm2 7.466 CV 1 ASSI { 553} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.14943E-02 ppm1 8.310 ppm2 1.882 CV 1 ASSI { 555} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HG3 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 7.578 ppm2 2.521 CV 1 ASSI { 556} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.200 3.200 2.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 8.060 ppm2 3.928 CV 1 ASSI { 557} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.14769E-02 ppm1 8.544 ppm2 2.103 CV 1 ASSI { 558} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HG )) 3.400 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 7.703 ppm2 1.445 CV 1 ASSI { 560} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 8.676 ppm2 4.295 CV 1 ASSI { 562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 8.311 ppm2 2.754 CV 1 ASSI { 563} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.14412E-02 ppm1 8.599 ppm2 0.759 CV 1 ASSI { 565} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 8.921 ppm2 0.694 CV 1 ASSI { 566} (( segid " " and resid 149 and name HN )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14261E-02 ppm1 7.525 ppm2 4.782 CV 1 ASSI { 570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.14122E-02 ppm1 8.677 ppm2 5.385 CV 1 ASSI { 573} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.14005E-02 ppm1 9.739 ppm2 8.469 CV 1 ASSI { 578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA2 )) 3.700 1.700 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 9.153 ppm2 5.238 CV 1 ASSI { 579} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.500 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 8.426 ppm2 1.279 CV 1 ASSI { 581} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.900 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 9.005 ppm2 4.145 CV 1 ASSI { 584} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 8.922 ppm2 5.048 CV 1 ASSI { 586} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB3 )) 4.700 2.700 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13636E-02 ppm1 6.587 ppm2 2.823 CV 1 ASSI { 587} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 9.121 ppm2 5.184 CV 1 ASSI { 589} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 8.691 ppm2 5.354 CV 1 ASSI { 590} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA2 )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.13521E-02 ppm1 8.362 ppm2 3.952 CV 1 ASSI { 591} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.13486E-02 ppm1 9.074 ppm2 4.194 CV 1 ASSI { 592} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.500 1.500 1.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 7.526 ppm2 1.595 CV 1 ASSI { 595} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) 3.900 1.900 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 9.128 ppm2 5.457 CV 1 ASSI { 596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13365E-02 ppm1 7.545 ppm2 4.705 CV 1 ASSI { 598} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 8.968 ppm2 5.017 CV 1 ASSI { 599} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD2%) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 9.061 ppm2 0.466 CV 1 ASSI { 602} (( segid " " and resid 127 and name HN )) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 9.005 ppm2 5.354 CV 1 ASSI { 603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.300 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 8.255 ppm2 2.288 CV 1 ASSI { 604} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 3.200 1.200 1.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 8.974 ppm2 5.388 CV 1 ASSI { 605} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HA )) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 8.968 ppm2 4.795 CV 1 ASSI { 608} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HN )) 3.300 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 9.118 ppm2 8.463 CV 1 ASSI { 609} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG2%) 3.600 1.600 1.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.12908E-02 ppm1 7.526 ppm2 0.676 CV 1 ASSI { 613} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HN )) 3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12846E-02 ppm1 8.677 ppm2 8.974 CV 1 ASSI { 614} (( segid " " and resid 145 and name HN )) (( segid " " and resid 139 and name HA )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 8.978 ppm2 5.043 CV 1 ASSI { 615} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HD1%) 4.300 2.300 1.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12788E-02 ppm1 8.363 ppm2 0.682 CV 1 ASSI { 616} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.500 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 8.542 ppm2 8.230 CV 1 ASSI { 619} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG2 )) 4.000 2.000 2.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 6.777 ppm2 2.328 CV 1 ASSI { 621} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.100 1.200 1.200 peak 621 spectrum 1 weight 0.10000E+01 volume 0.12498E-02 ppm1 8.599 ppm2 1.629 CV 1 ASSI { 624} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 7.374 ppm2 4.194 CV 1 ASSI { 627} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 8.599 ppm2 2.873 CV 1 ASSI { 632} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 7.392 ppm2 2.684 CV 1 ASSI { 633} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HE3 )) 4.000 2.000 2.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.12061E-02 ppm1 9.121 ppm2 6.991 CV 1 ASSI { 634} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HN )) 3.300 1.300 1.300 peak 634 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 8.862 ppm2 8.604 CV 1 ASSI { 638} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HG12)) 2.600 2.600 3.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 8.922 ppm2 1.280 CV 1 ASSI { 640} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD3 )) 3.700 1.700 1.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.11952E-02 ppm1 8.863 ppm2 3.621 CV 1 OR { 640} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HD2 )) ASSI { 642} (( segid " " and resid 138 and name HN )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11936E-02 ppm1 9.533 ppm2 5.874 CV 1 ASSI { 643} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.11932E-02 ppm1 7.125 ppm2 5.047 CV 1 ASSI { 646} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 8.351 ppm2 7.074 CV 1 ASSI { 650} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.313 ppm2 2.044 CV 1 ASSI { 653} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.400 2.400 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 8.861 ppm2 0.755 CV 1 ASSI { 654} (( segid " " and resid 150 and name HD22)) (( segid " " and resid 150 and name HB3 )) 4.500 2.500 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.11405E-02 ppm1 6.601 ppm2 2.643 CV 1 ASSI { 655} (( segid " " and resid 144 and name HN )) ( segid " " and resid 139 and name HG2%) 3.400 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.11372E-02 ppm1 8.434 ppm2 0.735 CV 1 ASSI { 657} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.200 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.11273E-02 ppm1 8.471 ppm2 5.216 CV 1 ASSI { 659} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 8.474 ppm2 4.686 CV 1 ASSI { 660} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 4.000 2.000 2.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.11183E-02 ppm1 7.404 ppm2 2.796 CV 1 ASSI { 666} (( segid " " and resid 116 and name HN )) (( segid " " and resid 112 and name HB2 )) 4.900 3.000 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.10984E-02 ppm1 7.401 ppm2 1.994 CV 1 ASSI { 667} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10977E-02 ppm1 9.121 ppm2 2.648 CV 1 ASSI { 668} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 4.500 2.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.10891E-02 ppm1 7.392 ppm2 2.819 CV 1 ASSI { 669} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) 4.100 2.100 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 8.973 ppm2 2.005 CV 1 OR { 669} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 673} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.700 2.700 1.300 peak 673 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 8.244 ppm2 2.659 CV 1 ASSI { 674} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.600 2.600 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 8.363 ppm2 1.198 CV 1 ASSI { 675} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 8.362 ppm2 4.063 CV 1 ASSI { 677} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 3.600 1.700 1.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.10682E-02 ppm1 8.363 ppm2 3.701 CV 1 ASSI { 680} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HA )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 8.060 ppm2 4.086 CV 1 ASSI { 681} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 2.600 2.600 3.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 7.403 ppm2 4.509 CV 1 ASSI { 684} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.100 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 8.813 ppm2 5.872 CV 1 ASSI { 685} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA1 )) 3.900 1.900 1.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 8.364 ppm2 3.549 CV 1 ASSI { 686} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 3.200 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 9.111 ppm2 3.756 CV 1 ASSI { 687} (( segid " " and resid 113 and name HD22)) (( segid " " and resid 113 and name HB2 )) 4.500 2.600 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 6.587 ppm2 2.692 CV 1 ASSI { 691} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 4.000 2.000 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.10406E-02 ppm1 9.532 ppm2 1.750 CV 1 OR { 691} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 694} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.600 1.700 1.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 7.545 ppm2 4.520 CV 1 ASSI { 695} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 7.500 ppm2 2.873 CV 1 ASSI { 696} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 4.000 2.000 2.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 8.541 ppm2 1.810 CV 1 ASSI { 697} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) 3.400 3.400 2.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 8.758 ppm2 4.293 CV 1 ASSI { 699} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.100 1.200 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 8.544 ppm2 1.932 CV 1 ASSI { 701} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG3 )) 3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10014E-02 ppm1 7.977 ppm2 2.212 CV 1 ASSI { 703} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HG3 )) 3.800 1.800 1.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.10001E-02 ppm1 6.778 ppm2 2.525 CV 1 ASSI { 707} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.98641E-03 ppm1 7.125 ppm2 1.818 CV 1 ASSI { 717} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.500 2.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.96489E-03 ppm1 9.739 ppm2 2.992 CV 1 ASSI { 718} (( segid " " and resid 153 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 2.700 3.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.95715E-03 ppm1 9.072 ppm2 0.853 CV 1 ASSI { 719} (( segid " " and resid 114 and name HN )) (( segid " " and resid 116 and name HN )) 4.200 2.200 1.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.95707E-03 ppm1 8.575 ppm2 7.409 CV 1 ASSI { 720} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 720 spectrum 1 weight 0.10000E+01 volume 0.95330E-03 ppm1 8.060 ppm2 8.445 CV 1 ASSI { 721} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG2 )) 3.800 1.800 1.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.95209E-03 ppm1 8.161 ppm2 2.182 CV 1 OR { 721} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 723} (( segid " " and resid 103 and name HN )) ( segid " " and resid 127 and name HG1%) 4.200 2.200 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.94948E-03 ppm1 8.968 ppm2 1.137 CV 1 ASSI { 724} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.700 1.700 1.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.94816E-03 ppm1 7.375 ppm2 6.933 CV 1 ASSI { 725} (( segid " " and resid 117 and name HN )) (( segid " " and resid 146 and name HN )) 3.900 1.900 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.94740E-03 ppm1 8.425 ppm2 8.815 CV 1 ASSI { 727} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.700 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.94374E-03 ppm1 7.525 ppm2 2.182 CV 1 ASSI { 731} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.300 2.400 1.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.92966E-03 ppm1 7.876 ppm2 3.621 CV 1 OR { 731} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HD3 )) ASSI { 733} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.91649E-03 ppm1 9.740 ppm2 1.447 CV 1 ASSI { 735} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB )) 4.100 2.200 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.91124E-03 ppm1 8.978 ppm2 3.961 CV 1 ASSI { 738} (( segid " " and resid 155 and name HN )) (( segid " " and resid 104 and name HN )) 4.100 2.100 1.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.90293E-03 ppm1 8.544 ppm2 8.951 CV 1 ASSI { 739} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 4.800 2.800 1.200 peak 739 spectrum 1 weight 0.10000E+01 volume 0.89887E-03 ppm1 8.545 ppm2 2.372 CV 1 ASSI { 743} (( segid " " and resid 128 and name HN )) (( segid " " and resid 138 and name HA1 )) 4.500 2.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.89470E-03 ppm1 9.154 ppm2 3.863 CV 1 ASSI { 745} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.88940E-03 ppm1 9.118 ppm2 5.041 CV 1 ASSI { 752} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG3 )) 4.300 2.300 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.87720E-03 ppm1 8.310 ppm2 2.207 CV 1 ASSI { 753} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.600 1.600 1.600 peak 753 spectrum 1 weight 0.10000E+01 volume 0.87612E-03 ppm1 9.739 ppm2 2.727 CV 1 ASSI { 755} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.600 1.600 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.86777E-03 ppm1 7.126 ppm2 4.708 CV 1 ASSI { 761} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HA )) 4.400 2.500 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.85533E-03 ppm1 7.829 ppm2 5.054 CV 1 ASSI { 766} (( segid " " and resid 101 and name HN )) (( segid " " and resid 127 and name HN )) 3.400 1.400 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.85091E-03 ppm1 8.488 ppm2 9.002 CV 1 ASSI { 767} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.400 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.84983E-03 ppm1 8.863 ppm2 1.627 CV 1 ASSI { 768} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 4.200 2.200 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.84923E-03 ppm1 8.254 ppm2 6.926 CV 1 ASSI { 769} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.500 1.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.84835E-03 ppm1 8.968 ppm2 2.618 CV 1 ASSI { 770} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HG1%) 4.300 2.300 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.84718E-03 ppm1 7.976 ppm2 1.114 CV 1 ASSI { 772} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.000 2.000 2.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.83382E-03 ppm1 9.109 ppm2 1.690 CV 1 ASSI { 773} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB3 )) 4.200 2.200 1.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.83306E-03 ppm1 9.062 ppm2 2.752 CV 1 ASSI { 775} (( segid " " and resid 105 and name HN )) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.83000E-03 ppm1 9.110 ppm2 4.835 CV 1 ASSI { 776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.400 1.400 1.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 8.980 ppm2 1.427 CV 1 ASSI { 779} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 130 and name HA )) 3.600 3.600 2.400 peak 779 spectrum 1 weight 0.10000E+01 volume 0.82033E-03 ppm1 10.055 ppm2 4.290 CV 1 ASSI { 783} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.100 2.100 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.81612E-03 ppm1 9.004 ppm2 1.506 CV 1 OR { 783} (( segid " " and resid 127 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 784} (( segid " " and resid 146 and name HN )) (( segid " " and resid 117 and name HB3 )) 4.500 2.500 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.81540E-03 ppm1 8.812 ppm2 1.432 CV 1 ASSI { 790} (( segid " " and resid 136 and name HN )) (( segid " " and resid 148 and name HA )) 4.200 2.200 1.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.80693E-03 ppm1 8.472 ppm2 3.697 CV 1 ASSI { 792} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.200 2.200 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.80003E-03 ppm1 7.123 ppm2 4.518 CV 1 ASSI { 796} (( segid " " and resid 153 and name HN )) (( segid " " and resid 105 and name HA )) 4.100 2.100 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.79380E-03 ppm1 9.074 ppm2 3.757 CV 1 ASSI { 797} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.700 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.79344E-03 ppm1 7.977 ppm2 1.278 CV 1 ASSI { 798} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB3 )) 4.900 3.000 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.78991E-03 ppm1 8.474 ppm2 2.476 CV 1 ASSI { 801} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG13)) 4.000 2.000 2.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.78297E-03 ppm1 8.153 ppm2 1.560 CV 1 ASSI { 808} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 3.400 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.77683E-03 ppm1 8.058 ppm2 9.062 CV 1 ASSI { 810} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD2%) 3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.77474E-03 ppm1 8.862 ppm2 0.467 CV 1 ASSI { 812} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.600 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.77378E-03 ppm1 8.968 ppm2 2.980 CV 1 ASSI { 813} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD1%) 2.800 2.800 3.200 peak 813 spectrum 1 weight 0.10000E+01 volume 0.77097E-03 ppm1 6.778 ppm2 0.790 CV 1 OR { 813} (( segid " " and resid 112 and name HE22)) ( segid " " and resid 110 and name HD2%) ASSI { 815} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 4.600 2.700 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.76495E-03 ppm1 8.363 ppm2 4.709 CV 1 ASSI { 818} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB3 )) 5.800 4.100 0.200 peak 818 spectrum 1 weight 0.10000E+01 volume 0.75588E-03 ppm1 8.244 ppm2 2.852 CV 1 ASSI { 819} (( segid " " and resid 107 and name HN )) (( segid " " and resid 152 and name HA )) 4.200 2.200 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.75524E-03 ppm1 7.374 ppm2 5.045 CV 1 ASSI { 823} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.500 2.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.74777E-03 ppm1 8.679 ppm2 1.783 CV 1 ASSI { 828} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.73276E-03 ppm1 7.501 ppm2 8.605 CV 1 ASSI { 831} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 4.100 2.100 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.72750E-03 ppm1 8.542 ppm2 1.678 CV 1 ASSI { 833} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HA )) 5.000 3.100 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 10.056 ppm2 5.219 CV 1 ASSI { 835} (( segid " " and resid 139 and name HN )) (( segid " " and resid 127 and name HA )) 3.300 1.300 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.71952E-03 ppm1 8.922 ppm2 4.146 CV 1 ASSI { 836} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.71863E-03 ppm1 8.254 ppm2 7.364 CV 1 ASSI { 847} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.70691E-03 ppm1 8.247 ppm2 7.072 CV 1 ASSI { 850} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.70166E-03 ppm1 7.830 ppm2 4.347 CV 1 ASSI { 852} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.400 2.400 1.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.69981E-03 ppm1 8.689 ppm2 8.963 CV 1 ASSI { 854} (( segid " " and resid 103 and name HN )) (( segid " " and resid 125 and name HB )) 3.300 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.69588E-03 ppm1 8.971 ppm2 1.283 CV 1 ASSI { 856} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.69347E-03 ppm1 8.472 ppm2 2.665 CV 1 ASSI { 859} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.200 2.200 1.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.68536E-03 ppm1 8.442 ppm2 1.721 CV 1 ASSI { 860} (( segid " " and resid 135 and name HN )) (( segid " " and resid 130 and name HB3 )) 4.400 2.400 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.68516E-03 ppm1 8.358 ppm2 1.715 CV 1 ASSI { 865} (( segid " " and resid 104 and name HN )) (( segid " " and resid 154 and name HA )) 4.900 3.000 1.100 peak 865 spectrum 1 weight 0.10000E+01 volume 0.68039E-03 ppm1 8.972 ppm2 4.350 CV 1 ASSI { 868} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.67063E-03 ppm1 9.118 ppm2 2.987 CV 1 ASSI { 870} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) 4.300 2.300 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.66879E-03 ppm1 8.472 ppm2 2.996 CV 1 ASSI { 871} (( segid " " and resid 138 and name HN )) ( segid " " and resid 127 and name HG1%) 3.600 1.600 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.66786E-03 ppm1 9.532 ppm2 1.120 CV 1 ASSI { 879} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 149 and name HB3 )) 3.900 1.900 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.66116E-03 ppm1 10.055 ppm2 2.182 CV 1 ASSI { 885} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HA )) 3.000 3.000 3.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.282 ppm2 4.181 CV 1 ASSI { 886} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.400 2.500 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.64976E-03 ppm1 8.138 ppm2 2.013 CV 1 ASSI { 891} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 4.500 2.500 1.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.64354E-03 ppm1 7.527 ppm2 1.198 CV 1 ASSI { 895} (( segid " " and resid 119 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 8.864 ppm2 2.874 CV 1 ASSI { 896} (( segid " " and resid 119 and name HN )) ( segid " " and resid 109 and name HD% ) 4.000 2.000 2.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.63801E-03 ppm1 8.862 ppm2 7.045 CV 1 ASSI { 901} (( segid " " and resid 109 and name HN )) (( segid " " and resid 119 and name HG )) 4.500 2.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.62749E-03 ppm1 8.597 ppm2 1.850 CV 1 ASSI { 903} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 4.100 2.100 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.62572E-03 ppm1 8.343 ppm2 7.463 CV 1 ASSI { 905} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 4.400 2.400 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.62187E-03 ppm1 8.255 ppm2 8.610 CV 1 ASSI { 907} (( segid " " and resid 139 and name HN )) ( segid " " and resid 127 and name HG1%) 4.000 2.000 2.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.61926E-03 ppm1 8.923 ppm2 1.126 CV 1 ASSI { 910} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) 4.400 2.400 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.61256E-03 ppm1 9.874 ppm2 2.653 CV 1 ASSI { 912} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 4.500 2.500 1.500 peak 912 spectrum 1 weight 0.10000E+01 volume 0.61003E-03 ppm1 8.692 ppm2 8.477 CV 1 ASSI { 914} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG3 )) 2.900 2.900 3.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.60273E-03 ppm1 9.007 ppm2 2.209 CV 1 ASSI { 920} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.59534E-03 ppm1 8.430 ppm2 7.400 CV 1 ASSI { 923} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB3 )) 4.700 2.800 1.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.59390E-03 ppm1 7.578 ppm2 1.321 CV 1 OR { 923} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 110 and name HB2 )) ASSI { 931} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.58370E-03 ppm1 7.875 ppm2 8.852 CV 1 ASSI { 938} (( segid " " and resid 153 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.400 2.400 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.57857E-03 ppm1 9.071 ppm2 2.617 CV 1 ASSI { 941} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.900 1.900 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.57821E-03 ppm1 9.061 ppm2 2.346 CV 1 ASSI { 942} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HN )) 5.300 3.500 0.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.57784E-03 ppm1 9.111 ppm2 8.447 CV 1 ASSI { 945} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 945 spectrum 1 weight 0.10000E+01 volume 0.57492E-03 ppm1 7.579 ppm2 4.205 CV 1 ASSI { 948} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.100 0.500 0.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.347 ppm2 1.801 CV 1 ASSI { 953} (( segid " " and resid 135 and name HN )) ( segid " " and resid 128 and name HG1%) 3.800 1.800 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.57002E-03 ppm1 8.364 ppm2 0.844 CV 1 ASSI { 956} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD21)) 5.000 3.100 1.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.56890E-03 ppm1 8.362 ppm2 7.319 CV 1 ASSI { 958} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.800 2.900 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.56789E-03 ppm1 9.739 ppm2 1.175 CV 1 ASSI { 960} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.300 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.56609E-03 ppm1 7.545 ppm2 2.643 CV 1 ASSI { 962} (( segid " " and resid 132 and name HN )) (( segid " " and resid 136 and name HA )) 4.000 2.000 2.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.56255E-03 ppm1 8.244 ppm2 5.219 CV 1 ASSI { 964} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HA )) 4.600 2.700 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.56127E-03 ppm1 9.122 ppm2 4.785 CV 1 ASSI { 966} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB3 )) 4.500 2.600 1.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.55995E-03 ppm1 8.920 ppm2 1.518 CV 1 OR { 966} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB2 )) ASSI { 967} (( segid " " and resid 145 and name HN )) (( segid " " and resid 137 and name HA )) 4.400 2.500 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.55806E-03 ppm1 8.979 ppm2 5.204 CV 1 ASSI { 972} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HG1%) 4.600 2.700 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.55312E-03 ppm1 9.153 ppm2 1.142 CV 1 ASSI { 976} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.55092E-03 ppm1 8.362 ppm2 2.196 CV 1 ASSI { 979} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 3.700 1.700 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.54546E-03 ppm1 8.923 ppm2 8.536 CV 1 ASSI { 985} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.346 ppm2 1.702 CV 1 ASSI { 990} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) 4.900 3.000 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.53502E-03 ppm1 9.741 ppm2 1.765 CV 1 ASSI { 993} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.100 2.100 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.53245E-03 ppm1 8.472 ppm2 2.725 CV 1 ASSI { 996} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 4.700 2.800 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.53137E-03 ppm1 8.922 ppm2 4.294 CV 1 ASSI { 998} (( segid " " and resid 150 and name HD21)) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.53005E-03 ppm1 7.343 ppm2 4.514 CV 1 ASSI { 999} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 132 and name HB2 )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.52836E-03 ppm1 9.876 ppm2 2.018 CV 1 ASSI { 1000} (( segid " " and resid 113 and name HD21)) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.52816E-03 ppm1 7.444 ppm2 4.694 CV 1 ASSI { 1002} (( segid " " and resid 131 and name HN )) (( segid " " and resid 136 and name HB3 )) 4.200 2.300 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.52671E-03 ppm1 8.348 ppm2 2.878 CV 1 ASSI { 1005} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 133 and name HA )) 4.400 2.500 1.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.52415E-03 ppm1 10.055 ppm2 4.054 CV 1 ASSI { 1008} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.900 1.900 1.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.51949E-03 ppm1 7.829 ppm2 2.720 CV 1 ASSI { 1011} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.600 2.600 1.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.51756E-03 ppm1 8.350 ppm2 1.513 CV 1 ASSI { 1014} (( segid " " and resid 112 and name HE21)) (( segid " " and resid 112 and name HB2 )) 3.500 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.51492E-03 ppm1 7.575 ppm2 2.002 CV 1 ASSI { 1016} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.51114E-03 ppm1 8.675 ppm2 -0.170 CV 1 ASSI { 1022} (( segid " " and resid 152 and name HN )) ( segid " " and resid 109 and name HE% ) 3.000 3.000 3.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.50576E-03 ppm1 7.124 ppm2 6.874 CV 1 ASSI { 1029} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG3 )) 4.700 2.700 1.300 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.49718E-03 ppm1 8.540 ppm2 1.531 CV 1 OR { 1029} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 1033} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.400 3.400 2.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.49405E-03 ppm1 7.392 ppm2 8.551 CV 1 ASSI { 1034} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.400 2.400 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.49393E-03 ppm1 8.977 ppm2 8.820 CV 1 ASSI { 1039} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD1%) 3.000 3.000 3.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.48931E-03 ppm1 7.579 ppm2 0.784 CV 1 OR { 1039} (( segid " " and resid 112 and name HE21)) ( segid " " and resid 110 and name HD2%) ASSI { 1045} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.300 2.400 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.48068E-03 ppm1 8.978 ppm2 2.063 CV 1 ASSI { 1046} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.800 2.900 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.48064E-03 ppm1 8.921 ppm2 9.535 CV 1 ASSI { 1048} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 141 and name HA )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.47843E-03 ppm1 7.703 ppm2 4.362 CV 1 ASSI { 1050} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.000 3.000 3.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.47803E-03 ppm1 9.121 ppm2 1.758 CV 1 OR { 1050} (( segid " " and resid 147 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1053} (( segid " " and resid 138 and name HN )) ( segid " " and resid 125 and name HG2%) 4.800 2.900 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.47498E-03 ppm1 9.533 ppm2 0.422 CV 1 ASSI { 1059} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.46997E-03 ppm1 8.427 ppm2 7.869 CV 1 ASSI { 1062} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.278 ppm2 1.784 CV 1 ASSI { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HG2 )) 5.500 3.800 0.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.46443E-03 ppm1 8.968 ppm2 1.963 CV 1 OR { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB3 )) OR { 1066} (( segid " " and resid 103 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 1067} (( segid " " and resid 152 and name HN )) ( segid " " and resid 105 and name HG1%) 4.700 2.700 1.300 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.46439E-03 ppm1 7.125 ppm2 0.845 CV 1 ASSI { 1073} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.700 2.700 1.300 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.45941E-03 ppm1 8.362 ppm2 1.595 CV 1 ASSI { 1077} (( segid " " and resid 128 and name HN )) (( segid " " and resid 139 and name HN )) 5.700 4.000 0.300 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.45451E-03 ppm1 9.154 ppm2 8.932 CV 1 ASSI { 1083} (( segid " " and resid 107 and name HN )) (( segid " " and resid 151 and name HA )) 4.500 2.500 1.500 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.45054E-03 ppm1 7.376 ppm2 4.720 CV 1 ASSI { 1086} (( segid " " and resid 117 and name HN )) ( segid " " and resid 109 and name HE% ) 4.600 2.700 1.400 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.44998E-03 ppm1 8.429 ppm2 6.862 CV 1 ASSI { 1087} (( segid " " and resid 138 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.44986E-03 ppm1 9.532 ppm2 5.449 CV 1 ASSI { 1091} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 112 and name HA )) 5.000 3.100 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.44536E-03 ppm1 6.778 ppm2 4.225 CV 1 ASSI { 1092} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.600 2.600 3.400 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.346 ppm2 1.749 CV 1 ASSI { 1096} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.400 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.545 ppm2 4.466 CV 1 ASSI { 1099} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 134 and name HA2 )) 4.200 2.300 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.43942E-03 ppm1 9.876 ppm2 3.951 CV 1 ASSI { 1101} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.700 2.800 1.300 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.43898E-03 ppm1 8.245 ppm2 1.518 CV 1 ASSI { 1113} (( segid " " and resid 141 and name HD22)) (( segid " " and resid 141 and name HA )) 4.700 2.800 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.43264E-03 ppm1 7.080 ppm2 4.367 CV 1 ASSI { 1121} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HD% ) 3.300 1.400 1.400 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.58294E-02 ppm1 8.599 ppm2 7.041 CV 1 ASSI { 1125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.100 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.677 ppm2 8.303 CV 1 ASSI { 1126} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.677 ppm2 7.971 CV 1 ASSI { 1127} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.500 1.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 7.973 ppm2 -0.166 CV 1 ASSI { 1130} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.500 0.800 0.800 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.247 ppm2 8.345 CV 1 ASSI { 1132} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.247 ppm2 8.918 CV 1 ASSI { 1133} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HE1 )) 2.600 0.800 0.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.784 ppm2 10.055 CV 1 ASSI { 1135} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.473 ppm2 8.769 CV 1 ASSI { 1137} (( segid " " and resid 137 and name HN )) (( segid " " and resid 128 and name HN )) 2.400 0.700 0.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.758 ppm2 9.136 CV 1 ASSI { 1138} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 2.900 2.900 3.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.759 ppm2 9.520 CV 1 ASSI { 1139} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.739 ppm2 9.127 CV 1 ASSI { 1141} (( segid " " and resid 147 and name HN )) (( segid " " and resid 135 and name HE3 )) 2.900 2.900 3.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.121 ppm2 6.478 CV 1 ASSI { 1142} (( segid " " and resid 147 and name HN )) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.122 ppm2 9.541 CV 1 ASSI { 1143} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.900 1.100 1.100 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.121 ppm2 8.802 CV 1 ASSI { 1145} (( segid " " and resid 119 and name HN )) (( segid " " and resid 108 and name HA )) 3.300 3.300 2.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.862 ppm2 4.096 CV 1 ASSI { 1147} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.005 ppm2 7.981 CV 1 ASSI { 1148} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 3.200 1.200 1.200 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.155 ppm2 8.983 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA2 )) 2.300 0.700 0.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.534 ppm2 5.237 CV 1 ASSI { 1150} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 9.153 ppm2 4.187 CV 1 ASSI { 1151} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.310 ppm2 4.835 CV 1 ASSI { 1152} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD2%) 2.800 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 10.054 ppm2 0.748 CV 1 OR { 1152} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 155 and name HD1%) ASSI { 1154} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HE% ) 3.200 3.200 2.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 7.500 ppm2 6.865 CV 1 ASSI { 1155} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.244 ppm2 4.294 CV 1 ASSI { 1156} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.244 ppm2 3.991 CV 1 ASSI { 1158} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA2 )) 2.900 1.100 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.785 ppm2 3.952 CV 1 ASSI { 1160} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.500 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.344 ppm2 1.724 CV 1 ASSI { 1161} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 3.200 3.200 2.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.327 ppm2 3.990 CV 1 ASSI { 1162} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.900 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.323 ppm2 2.002 CV 1 ASSI { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.600 0.900 0.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.489 ppm2 1.676 CV 1 OR { 1164} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) ASSI { 1165} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.486 ppm2 4.463 CV 1 ASSI { 1168} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.691 ppm2 1.585 CV 1 ASSI { 1169} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.975 ppm2 1.697 CV 1 ASSI { 1171} (( segid " " and resid 105 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.600 1.600 1.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.111 ppm2 2.759 CV 1 ASSI { 1173} (( segid " " and resid 105 and name HN )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.110 ppm2 8.670 CV 1 ASSI { 1175} (( segid " " and resid 106 and name HN )) (( segid " " and resid 152 and name HB )) 3.300 1.400 1.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.075 ppm2 1.823 CV 1 ASSI { 1176} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 3.300 1.400 1.400 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.074 ppm2 2.163 CV 1 ASSI { 1177} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.100 3.100 2.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.599 ppm2 1.320 CV 1 OR { 1177} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) ASSI { 1178} (( segid " " and resid 109 and name HN )) ( segid " " and resid 119 and name HD2%) 3.500 1.600 1.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.598 ppm2 0.466 CV 1 ASSI { 1180} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.500 0.800 0.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 7.500 ppm2 4.701 CV 1 ASSI { 1181} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.300 1.400 1.400 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.026 ppm2 2.220 CV 1 ASSI { 1182} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.026 ppm2 2.013 CV 1 ASSI { 1183} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.577 ppm2 2.820 CV 1 ASSI { 1184} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.476 ppm2 4.503 CV 1 ASSI { 1185} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.575 ppm2 2.613 CV 1 ASSI { 1186} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.576 ppm2 2.720 CV 1 ASSI { 1187} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.900 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.475 ppm2 2.622 CV 1 ASSI { 1190} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HD2%) 2.700 0.900 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 7.875 ppm2 0.466 CV 1 ASSI { 1191} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.862 ppm2 1.936 CV 1 ASSI { 1192} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.863 ppm2 1.786 CV 1 ASSI { 1193} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.900 2.900 3.100 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 7.876 ppm2 2.206 CV 1 ASSI { 1195} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.062 ppm2 4.563 CV 1 ASSI { 1197} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.800 1.000 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.060 ppm2 1.771 CV 1 ASSI { 1198} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 9.062 ppm2 1.612 CV 1 ASSI { 1199} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 8.060 ppm2 1.614 CV 1 ASSI { 1200} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.143 ppm2 1.617 CV 1 ASSI { 1201} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 3.200 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.141 ppm2 4.446 CV 1 ASSI { 1203} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HB3 )) 3.400 3.400 2.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.312 ppm2 1.589 CV 1 ASSI { 1204} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) 2.600 0.800 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.312 ppm2 1.783 CV 1 ASSI { 1205} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 9.000 ppm2 0.416 CV 1 ASSI { 1207} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB )) 3.000 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.58872E-02 ppm1 9.006 ppm2 1.923 CV 1 ASSI { 1208} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB )) 2.300 0.600 0.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 9.153 ppm2 1.895 CV 1 ASSI { 1209} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.345 ppm2 4.290 CV 1 ASSI { 1211} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.100 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.245 ppm2 2.233 CV 1 ASSI { 1212} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.400 0.800 0.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.244 ppm2 2.005 CV 1 ASSI { 1213} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.784 ppm2 7.054 CV 1 ASSI { 1215} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.912 ppm2 1.960 CV 1 ASSI { 1216} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.300 1.400 1.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.785 ppm2 1.959 CV 1 ASSI { 1217} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG1%) 2.000 2.000 4.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.913 ppm2 0.857 CV 1 OR { 1217} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG2%) ASSI { 1218} (( segid " " and resid 136 and name HN )) ( segid " " and resid 147 and name HD% ) 2.500 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.471 ppm2 6.838 CV 1 ASSI { 1220} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.363 ppm2 4.789 CV 1 ASSI { 1221} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.473 ppm2 2.839 CV 1 ASSI { 1222} (( segid " " and resid 149 and name HN )) (( segid " " and resid 136 and name HN )) 2.600 0.900 0.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 7.526 ppm2 8.470 CV 1 ASSI { 1226} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.200 0.600 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.759 ppm2 5.183 CV 1 ASSI { 1229} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 9.129 ppm2 8.454 CV 1 ASSI { 1231} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.200 1.300 1.300 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.923 ppm2 0.731 CV 1 ASSI { 1232} (( segid " " and resid 142 and name HN )) ( segid " " and resid 139 and name HG1%) 2.800 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.473 ppm2 0.841 CV 1 ASSI { 1237} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.400 2.400 3.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.811 ppm2 2.050 CV 1 ASSI { 1238} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.600 1.600 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.811 ppm2 1.749 CV 1 OR { 1238} (( segid " " and resid 146 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1239} (( segid " " and resid 147 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.000 3.000 3.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 9.119 ppm2 2.883 CV 1 ASSI { 1242} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 7.524 ppm2 2.649 CV 1 ASSI { 1243} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.363 ppm2 7.110 CV 1 ASSI { 1244} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HD% ) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 7.546 ppm2 7.035 CV 1 ASSI { 1245} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 7.545 ppm2 2.558 CV 1 ASSI { 1246} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.300 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 8.363 ppm2 2.913 CV 1 ASSI { 1248} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 7.126 ppm2 2.913 CV 1 ASSI { 1250} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) 2.900 1.100 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.59089E-02 ppm1 9.072 ppm2 1.704 CV 1 OR { 1250} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 1252} (( segid " " and resid 155 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.000 0.500 0.500 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.546 ppm2 2.973 CV 1 ASSI { 1253} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.000 2.000 4.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.454 ppm2 2.122 CV 1 ASSI { 1254} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.600 0.800 0.800 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.454 ppm2 4.445 CV 1 ASSI { 1255} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.200 1.300 1.300 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.535 ppm2 3.853 CV 1 OR { 1255} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 1257} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.700 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.199 ppm2 3.820 CV 1 OR { 1257} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1258} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.536 ppm2 3.820 CV 1 OR { 1258} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) ASSI { 1259} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.600 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.310 ppm2 4.395 CV 1 ASSI { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB3 )) 2.800 2.800 3.200 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.309 ppm2 2.615 CV 1 OR { 1260} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB2 )) ASSI { 1261} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.310 ppm2 4.257 CV 1 ASSI { 1262} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.198 ppm2 4.256 CV 1 ASSI { 1263} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.200 1.300 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.198 ppm2 2.050 CV 1 ASSI { 1266} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 2.800 1.000 1.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.159 ppm2 1.880 CV 1 ASSI { 1268} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.000 2.000 4.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.239 ppm2 1.996 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.159 ppm2 4.227 CV 1 ASSI { 1270} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.400 0.700 0.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.158 ppm2 1.511 CV 1 ASSI { 1271} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.900 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.472 ppm2 7.078 CV 1 ASSI { 1272} (( segid " " and resid 151 and name HN )) ( segid " " and resid 109 and name HE% ) 2.000 2.000 4.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 7.547 ppm2 6.866 CV 1 ASSI { 1273} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 7.830 ppm2 9.723 CV 1 ASSI { 1274} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 9.875 ppm2 8.357 CV 1 ASSI { 1276} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.300 3.300 2.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.59129E-02 ppm1 8.472 ppm2 1.756 CV 1 OR { 1276} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 1280} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB3 )) 3.300 3.300 2.700 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.59213E-02 ppm1 6.778 ppm2 1.319 CV 1 OR { 1280} (( segid " " and resid 112 and name HE22)) (( segid " " and resid 110 and name HB2 )) ASSI { 1281} (( segid " " and resid 141 and name HD21)) (( segid " " and resid 140 and name HB3 )) 3.100 3.100 2.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.59213E-02 ppm1 7.702 ppm2 1.765 CV 1 ASSI { 1} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.99235E-02 ppm1 1.963 ppm2 4.165 CV 1 ASSI { 9} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 0.779 ppm2 2.875 CV 1 ASSI { 11} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG )) 2.200 2.200 3.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 4.350 ppm2 1.470 CV 1 ASSI { 19} (( segid " " and resid 127 and name HB )) (( segid " " and resid 127 and name HA )) 2.000 0.500 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.941 ppm2 4.123 CV 1 ASSI { 25} (( segid " " and resid 144 and name HB )) (( segid " " and resid 139 and name HA )) 2.900 2.900 3.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 3.939 ppm2 5.018 CV 1 ASSI { 34} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HB3 )) 1.900 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.473 ppm2 1.601 CV 1 ASSI { 37} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 -0.191 ppm2 4.272 CV 1 ASSI { 44} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 116 and name HB2 )) 2.700 2.700 3.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 2.191 ppm2 2.190 CV 1 ASSI { 48} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 1.800 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.685 ppm2 1.804 CV 1 ASSI { 50} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 4.185 ppm2 1.988 CV 1 ASSI { 54} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.900 0.400 0.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.990 ppm2 2.202 CV 1 ASSI { 58} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.939 ppm2 5.347 CV 1 OR { 58} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI { 63} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB3 )) 1.800 0.400 0.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.994 ppm2 2.253 CV 1 ASSI { 69} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 2.001 ppm2 4.036 CV 1 OR { 69} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) ASSI { 73} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.000 2.000 4.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.906 ppm2 5.164 CV 1 ASSI { 81} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 156 and name HB3 )) 0.800 0.800 5.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.79136E+00 ppm1 3.871 ppm2 3.864 CV 1 OR { 81} (( segid " " and resid 157 and name HA1 )) (( segid " " and resid 156 and name HB3 )) OR { 81} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 156 and name HB2 )) ASSI { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB3 )) 1.200 0.200 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.23416E+00 ppm1 1.516 ppm2 1.514 CV 1 OR { 106} (( segid " " and resid 155 and name HG )) (( segid " " and resid 155 and name HB2 )) ASSI { 112} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.400 1.400 4.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.20287E+00 ppm1 2.624 ppm2 2.616 CV 1 ASSI { 115} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 105 and name HG2%) 1.200 0.200 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.19808E+00 ppm1 0.717 ppm2 0.718 CV 1 ASSI { 157} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.500 0.300 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.58374E-01 ppm1 1.908 ppm2 2.005 CV 1 ASSI { 172} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.43047E-01 ppm1 2.258 ppm2 2.015 CV 1 ASSI { 173} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 1.900 1.900 4.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.42156E-01 ppm1 2.025 ppm2 1.919 CV 1 OR { 173} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 137 and name HG2 )) ASSI { 181} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HB2 )) 2.000 2.000 4.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.33652E-01 ppm1 1.918 ppm2 2.018 CV 1 ASSI { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG2 )) 1.900 0.400 0.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.26953E-01 ppm1 1.979 ppm2 2.173 CV 1 OR { 190} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HG3 )) ASSI { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG3 )) 1.900 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.22411E-01 ppm1 1.662 ppm2 1.510 CV 1 OR { 207} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) ASSI { 210} (( segid " " and resid 155 and name HB3 )) (( segid " " and resid 152 and name HG13)) 1.500 1.500 4.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.21593E-01 ppm1 1.511 ppm2 1.412 CV 1 OR { 210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 152 and name HG13)) ASSI { 216} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.800 0.400 0.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19554E-01 ppm1 2.592 ppm2 2.702 CV 1 ASSI { 221} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HG13)) 1.700 0.400 0.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.18829E-01 ppm1 1.052 ppm2 1.323 CV 1 ASSI { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17711E-01 ppm1 1.977 ppm2 2.194 CV 1 OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) OR { 226} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 226} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) ASSI { 227} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HG )) 1.900 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.17168E-01 ppm1 0.784 ppm2 1.464 CV 1 OR { 227} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HG )) ASSI { 240} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HG2 )) 1.600 0.300 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15770E-01 ppm1 2.504 ppm2 2.319 CV 1 ASSI { 245} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 128 and name HA )) 1.600 1.600 4.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15130E-01 ppm1 0.712 ppm2 4.204 CV 1 OR { 245} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 128 and name HA )) ASSI { 247} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 152 and name HG12)) 1.600 1.600 4.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14897E-01 ppm1 1.594 ppm2 1.300 CV 1 OR { 247} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 152 and name HG12)) ASSI { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG2 )) 2.000 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14670E-01 ppm1 1.559 ppm2 1.267 CV 1 OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG3 )) OR { 249} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) OR { 249} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HG3 )) ASSI { 255} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 127 and name HG2%) 1.900 0.400 0.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13970E-01 ppm1 1.132 ppm2 0.754 CV 1 ASSI { 261} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13703E-01 ppm1 1.696 ppm2 0.706 CV 1 ASSI { 266} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HG2%) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.13495E-01 ppm1 3.938 ppm2 1.093 CV 1 ASSI { 268} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.800 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.13249E-01 ppm1 2.973 ppm2 2.704 CV 1 ASSI { 273} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) 2.100 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12885E-01 ppm1 1.697 ppm2 0.787 CV 1 ASSI { 281} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.100 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.12545E-01 ppm1 4.180 ppm2 0.844 CV 1 ASSI { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB3 )) 2.200 0.600 0.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.11959E-01 ppm1 0.829 ppm2 1.741 CV 1 OR { 289} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 137 and name HB2 )) ASSI { 291} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11870E-01 ppm1 2.602 ppm2 4.534 CV 1 ASSI { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD2%) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11717E-01 ppm1 1.483 ppm2 0.740 CV 1 OR { 294} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) ASSI { 298} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 105 and name HG2%) 2.000 0.500 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.11424E-01 ppm1 0.864 ppm2 0.716 CV 1 ASSI { 301} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HB2 )) 2.300 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11281E-01 ppm1 1.913 ppm2 1.799 CV 1 ASSI { 302} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HA )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.688 ppm2 3.743 CV 1 ASSI { 310} ( segid " " and resid 105 and name HG1%) ( segid " " and resid 119 and name HD1%) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.10681E-01 ppm1 0.876 ppm2 0.753 CV 1 ASSI { 313} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB2 )) 1.900 0.400 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10624E-01 ppm1 2.884 ppm2 1.600 CV 1 OR { 313} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 315} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.10530E-01 ppm1 3.913 ppm2 4.075 CV 1 OR { 315} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) ASSI { 317} ( segid " " and resid 139 and name HG1%) ( segid " " and resid 144 and name HG2%) 2.600 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10458E-01 ppm1 0.822 ppm2 1.093 CV 1 ASSI { 321} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HB2 )) 1.800 0.400 0.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.10319E-01 ppm1 1.845 ppm2 1.705 CV 1 ASSI { 336} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.96823E-02 ppm1 2.798 ppm2 2.661 CV 1 ASSI { 343} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB3 )) 1.800 0.400 0.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.92524E-02 ppm1 2.513 ppm2 2.621 CV 1 ASSI { 344} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.200 2.200 3.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.92456E-02 ppm1 2.628 ppm2 2.511 CV 1 ASSI { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB3 )) 2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.91384E-02 ppm1 4.387 ppm2 3.812 CV 1 OR { 347} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) ASSI { 351} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.89639E-02 ppm1 4.230 ppm2 1.503 CV 1 ASSI { 353} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.89434E-02 ppm1 1.334 ppm2 0.725 CV 1 ASSI { 358} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 105 and name HB )) 1.900 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.689 ppm2 2.136 CV 1 ASSI { 366} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.300 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.86027E-02 ppm1 2.884 ppm2 0.709 CV 1 ASSI { 371} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HG12)) 2.100 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.83723E-02 ppm1 0.737 ppm2 1.047 CV 1 ASSI { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD3 )) 2.200 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.82732E-02 ppm1 2.806 ppm2 1.545 CV 1 OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD2 )) OR { 375} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HD3 )) OR { 375} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HD2 )) ASSI { 376} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 128 and name HA )) 2.300 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.82683E-02 ppm1 0.753 ppm2 4.166 CV 1 ASSI { 377} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.81532E-02 ppm1 1.858 ppm2 0.819 CV 1 ASSI { 387} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.800 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.78955E-02 ppm1 1.250 ppm2 1.414 CV 1 ASSI { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB2 )) 2.300 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.78790E-02 ppm1 4.533 ppm2 2.605 CV 1 OR { 388} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB3 )) ASSI { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD2%) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.78758E-02 ppm1 1.099 ppm2 0.662 CV 1 OR { 389} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 117 and name HD1%) ASSI { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) 2.400 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.78489E-02 ppm1 4.011 ppm2 0.763 CV 1 OR { 391} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) ASSI { 392} (( segid " " and resid 129 and name HA1 )) (( segid " " and resid 129 and name HA2 )) 2.000 0.500 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.78309E-02 ppm1 3.711 ppm2 4.001 CV 1 ASSI { 397} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 1.900 0.400 0.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.77663E-02 ppm1 1.601 ppm2 1.748 CV 1 ASSI { 400} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 127 and name HA )) 1.800 1.800 4.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.77125E-02 ppm1 1.100 ppm2 4.160 CV 1 ASSI { 402} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.76539E-02 ppm1 4.001 ppm2 3.708 CV 1 ASSI { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.76443E-02 ppm1 1.693 ppm2 1.281 CV 1 OR { 403} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 403} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD1%) 2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.75130E-02 ppm1 4.454 ppm2 0.732 CV 1 OR { 406} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) ASSI { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.73196E-02 ppm1 1.996 ppm2 2.147 CV 1 OR { 415} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.300 0.700 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.73188E-02 ppm1 2.246 ppm2 2.150 CV 1 OR { 416} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG2 )) ASSI { 428} (( segid " " and resid 134 and name HA2 )) (( segid " " and resid 134 and name HA1 )) 2.100 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.71739E-02 ppm1 3.922 ppm2 3.522 CV 1 ASSI { 430} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) 2.100 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.71550E-02 ppm1 0.401 ppm2 -0.190 CV 1 ASSI { 432} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.300 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.71298E-02 ppm1 1.859 ppm2 4.170 CV 1 ASSI { 434} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 119 and name HD1%) 2.100 0.500 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.71145E-02 ppm1 0.450 ppm2 0.754 CV 1 ASSI { 435} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.700 2.700 3.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.71097E-02 ppm1 4.230 ppm2 1.642 CV 1 ASSI { 438} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.70952E-02 ppm1 1.859 ppm2 0.702 CV 1 ASSI { 439} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HG3 )) 2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.69973E-02 ppm1 1.957 ppm2 2.196 CV 1 ASSI { 442} (( segid " " and resid 117 and name HA )) ( segid " " and resid 139 and name HG2%) 2.800 2.800 3.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.69857E-02 ppm1 4.350 ppm2 0.722 CV 1 ASSI { 445} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 142 and name HA1 )) 2.100 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.69632E-02 ppm1 4.091 ppm2 3.468 CV 1 ASSI { 447} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HB )) 2.100 0.500 0.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.69074E-02 ppm1 1.138 ppm2 1.935 CV 1 ASSI { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG1%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68717E-02 ppm1 3.962 ppm2 0.820 CV 1 OR { 450} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HG2%) ASSI { 451} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.68592E-02 ppm1 1.094 ppm2 0.737 CV 1 ASSI { 454} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 117 and name HB2 )) 2.500 2.500 3.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.67846E-02 ppm1 2.883 ppm2 1.300 CV 1 OR { 454} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 117 and name HB2 )) ASSI { 458} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.800 2.800 3.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.66622E-02 ppm1 2.260 ppm2 4.228 CV 1 ASSI { 462} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.65807E-02 ppm1 2.674 ppm2 2.793 CV 1 ASSI { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB2 )) 2.400 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.64832E-02 ppm1 0.785 ppm2 1.312 CV 1 OR { 473} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HB3 )) OR { 473} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HB2 )) ASSI { 474} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.64784E-02 ppm1 3.410 ppm2 4.413 CV 1 ASSI { 487} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 123 and name HA )) 2.600 2.600 3.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.62296E-02 ppm1 4.414 ppm2 4.412 CV 1 ASSI { 491} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 119 and name HD2%) 2.000 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.61938E-02 ppm1 -0.190 ppm2 0.452 CV 1 ASSI { 493} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG )) 2.300 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.61208E-02 ppm1 1.297 ppm2 1.455 CV 1 OR { 493} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG )) ASSI { 500} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HG )) 2.300 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.60357E-02 ppm1 0.821 ppm2 1.421 CV 1 OR { 500} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HG )) ASSI { 503} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.60180E-02 ppm1 0.401 ppm2 1.256 CV 1 ASSI { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD1%) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.59900E-02 ppm1 1.480 ppm2 0.787 CV 1 OR { 504} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD2%) ASSI { 508} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.58896E-02 ppm1 2.972 ppm2 4.338 CV 1 ASSI { 510} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 152 and name HG13)) 1.800 1.800 4.200 peak 510 spectrum 1 weight 0.10000E+01 volume 0.58824E-02 ppm1 0.714 ppm2 1.405 CV 1 ASSI { 511} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB2 )) 2.500 2.500 3.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.58708E-02 ppm1 1.098 ppm2 1.965 CV 1 ASSI { 519} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.57640E-02 ppm1 2.712 ppm2 4.477 CV 1 ASSI { 521} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.57592E-02 ppm1 1.093 ppm2 5.448 CV 1 ASSI { 527} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 2.100 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.56504E-02 ppm1 4.414 ppm2 3.407 CV 1 ASSI { 531} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG3 )) 2.500 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.56191E-02 ppm1 4.045 ppm2 2.195 CV 1 OR { 531} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG2 )) ASSI { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG2 )) 2.500 0.800 0.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.56151E-02 ppm1 2.807 ppm2 1.256 CV 1 OR { 532} (( segid " " and resid 153 and name HE3 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG3 )) OR { 532} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HG2 )) ASSI { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.300 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.55132E-02 ppm1 4.453 ppm2 1.499 CV 1 OR { 536} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD1%) 2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.54947E-02 ppm1 1.600 ppm2 0.790 CV 1 OR { 537} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 162 and name HD2%) ASSI { 540} (( segid " " and resid 128 and name HA )) ( segid " " and resid 127 and name HG2%) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.54590E-02 ppm1 4.178 ppm2 0.743 CV 1 ASSI { 553} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.53402E-02 ppm1 1.774 ppm2 4.256 CV 1 ASSI { 557} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.53141E-02 ppm1 0.770 ppm2 4.010 CV 1 ASSI { 561} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 1.900 0.400 0.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.51965E-02 ppm1 2.941 ppm2 2.597 CV 1 ASSI { 565} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.51479E-02 ppm1 1.767 ppm2 4.009 CV 1 ASSI { 570} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.300 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.50946E-02 ppm1 1.687 ppm2 4.563 CV 1 OR { 570} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) ASSI { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD2%) 2.600 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.50865E-02 ppm1 3.918 ppm2 0.791 CV 1 OR { 571} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 110 and name HD2%) OR { 571} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 110 and name HD1%) ASSI { 573} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG13)) 2.800 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.50833E-02 ppm1 0.755 ppm2 1.572 CV 1 ASSI { 578} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HG12)) 2.000 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.49541E-02 ppm1 1.087 ppm2 0.475 CV 1 ASSI { 581} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG2 )) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.49441E-02 ppm1 2.980 ppm2 1.243 CV 1 OR { 581} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) 2.500 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 1.687 ppm2 1.542 CV 1 OR { 585} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) OR { 585} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 599} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 117 and name HD1%) 2.300 0.700 0.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.47695E-02 ppm1 -0.192 ppm2 0.671 CV 1 ASSI { 605} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HG2 )) 2.100 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.46932E-02 ppm1 2.459 ppm2 1.887 CV 1 ASSI { 608} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 5.016 ppm2 0.819 CV 1 ASSI { 612} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG3 )) 2.300 2.300 3.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.690 ppm2 2.367 CV 1 ASSI { 618} (( segid " " and resid 139 and name HA )) (( segid " " and resid 144 and name HA )) 2.000 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.44934E-02 ppm1 5.024 ppm2 5.450 CV 1 ASSI { 619} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB3 )) 2.500 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.44890E-02 ppm1 4.046 ppm2 1.999 CV 1 ASSI { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) 2.100 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.99829E-02 ppm1 1.686 ppm2 1.256 CV 1 OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) OR { 620} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) OR { 620} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 627} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG2 )) 2.700 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.44288E-02 ppm1 2.079 ppm2 2.323 CV 1 ASSI { 629} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HA )) 3.000 3.000 3.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.43995E-02 ppm1 4.661 ppm2 4.657 CV 1 ASSI { 630} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 158 and name HA )) 2.600 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.43926E-02 ppm1 2.178 ppm2 4.257 CV 1 OR { 630} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) ASSI { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HD1%) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.43605E-02 ppm1 1.334 ppm2 0.758 CV 1 OR { 633} (( segid " " and resid 164 and name HG13)) ( segid " " and resid 164 and name HG2%) ASSI { 635} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 2.600 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.43481E-02 ppm1 0.658 ppm2 5.034 CV 1 ASSI { 636} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 106 and name HB% ) 1.900 1.900 4.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.43401E-02 ppm1 1.261 ppm2 0.844 CV 1 OR { 636} (( segid " " and resid 153 and name HG3 )) ( segid " " and resid 106 and name HB% ) ASSI { 637} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HA )) 2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.43393E-02 ppm1 5.170 ppm2 5.858 CV 1 ASSI { 638} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 125 and name HB )) 2.800 2.800 3.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.43356E-02 ppm1 1.599 ppm2 1.300 CV 1 ASSI { 642} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.43084E-02 ppm1 0.449 ppm2 4.651 CV 1 ASSI { 654} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.42036E-02 ppm1 2.253 ppm2 4.545 CV 1 ASSI { 655} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.41912E-02 ppm1 1.913 ppm2 2.322 CV 1 ASSI { 656} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 145 and name HA2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.41839E-02 ppm1 3.813 ppm2 4.418 CV 1 ASSI { 657} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HB )) 2.200 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.41779E-02 ppm1 0.869 ppm2 2.147 CV 1 ASSI { 658} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.500 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.41759E-02 ppm1 4.400 ppm2 1.618 CV 1 ASSI { 660} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG12)) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.41715E-02 ppm1 0.718 ppm2 1.112 CV 1 ASSI { 661} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HG3 )) 2.900 1.000 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.41687E-02 ppm1 2.979 ppm2 1.417 CV 1 OR { 661} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HG3 )) ASSI { 664} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.41574E-02 ppm1 4.045 ppm2 1.954 CV 1 ASSI { 665} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.41466E-02 ppm1 4.823 ppm2 0.722 CV 1 ASSI { 670} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG3 )) 2.300 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.40968E-02 ppm1 2.081 ppm2 2.359 CV 1 ASSI { 671} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.40872E-02 ppm1 2.627 ppm2 4.494 CV 1 ASSI { 672} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 4.664 ppm2 2.798 CV 1 ASSI { 673} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 127 and name HA )) 2.800 0.900 0.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.40820E-02 ppm1 0.754 ppm2 4.122 CV 1 ASSI { 676} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 127 and name HG1%) 2.300 0.700 0.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.40680E-02 ppm1 0.401 ppm2 1.131 CV 1 ASSI { 677} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HA )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.40615E-02 ppm1 3.913 ppm2 4.545 CV 1 OR { 677} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HA )) ASSI { 678} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.40579E-02 ppm1 1.997 ppm2 4.546 CV 1 ASSI { 683} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 125 and name HD1%) 2.300 0.700 0.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.39942E-02 ppm1 1.086 ppm2 -0.190 CV 1 ASSI { 684} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG3 )) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.39939E-02 ppm1 1.910 ppm2 2.360 CV 1 ASSI { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.400 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 4.773 ppm2 1.935 CV 1 OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) OR { 685} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 686} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG12)) 2.600 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.39905E-02 ppm1 0.770 ppm2 1.050 CV 1 ASSI { 693} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.600 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 2.710 ppm2 4.337 CV 1 ASSI { 697} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HB3 )) 2.500 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.39178E-02 ppm1 1.989 ppm2 1.802 CV 1 OR { 697} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB3 )) ASSI { 698} (( segid " " and resid 107 and name HA )) ( segid " " and resid 121 and name HG1%) 2.600 2.600 3.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.39125E-02 ppm1 4.534 ppm2 0.786 CV 1 ASSI { 699} (( segid " " and resid 123 and name HA )) (( segid " " and resid 119 and name HB3 )) 3.100 3.100 2.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.39088E-02 ppm1 4.397 ppm2 1.999 CV 1 ASSI { 704} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.99235E-02 ppm1 2.169 ppm2 4.158 CV 1 OR { 704} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) ASSI { 706} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 154 and name HG2 )) 2.200 2.200 3.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.690 ppm2 2.327 CV 1 ASSI { 707} (( segid " " and resid 104 and name HA )) ( segid " " and resid 124 and name HD1%) 3.100 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.38638E-02 ppm1 5.383 ppm2 0.721 CV 1 ASSI { 709} (( segid " " and resid 153 and name HD3 )) ( segid " " and resid 106 and name HB% ) 2.000 2.000 4.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.38509E-02 ppm1 1.555 ppm2 0.845 CV 1 OR { 709} (( segid " " and resid 153 and name HD2 )) ( segid " " and resid 106 and name HB% ) ASSI { 710} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) 2.600 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.38230E-02 ppm1 0.754 ppm2 4.817 CV 1 ASSI { 713} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 144 and name HA )) 3.300 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.38147E-02 ppm1 0.824 ppm2 5.448 CV 1 ASSI { 714} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.38087E-02 ppm1 0.400 ppm2 4.272 CV 1 ASSI { 715} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 105 and name HG1%) 3.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 0.662 ppm2 0.858 CV 1 ASSI { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG2 )) 2.800 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 0.838 ppm2 2.150 CV 1 OR { 719} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HG3 )) ASSI { 723} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.37276E-02 ppm1 4.665 ppm2 2.658 CV 1 ASSI { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HD1%) 2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.37006E-02 ppm1 5.038 ppm2 0.657 CV 1 OR { 725} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 728} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 141 and name HB2 )) 2.000 2.000 4.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.36789E-02 ppm1 2.979 ppm2 2.754 CV 1 OR { 728} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 141 and name HB2 )) ASSI { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.36679E-02 ppm1 0.450 ppm2 0.676 CV 1 OR { 729} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 117 and name HD2%) ASSI { 731} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.36446E-02 ppm1 0.717 ppm2 1.773 CV 1 ASSI { 733} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.36401E-02 ppm1 0.657 ppm2 1.797 CV 1 ASSI { 736} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.36230E-02 ppm1 4.706 ppm2 2.664 CV 1 ASSI { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.700 0.900 0.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.36033E-02 ppm1 4.823 ppm2 0.752 CV 1 OR { 738} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD1%) ASSI { 742} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 162 and name HA )) 2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.35685E-02 ppm1 1.597 ppm2 4.205 CV 1 ASSI { 752} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.35515E-02 ppm1 0.869 ppm2 3.738 CV 1 ASSI { 753} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.35506E-02 ppm1 2.505 ppm2 1.988 CV 1 ASSI { 754} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HA )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.35480E-02 ppm1 5.384 ppm2 4.818 CV 1 ASSI { 756} (( segid " " and resid 106 and name HA )) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.35411E-02 ppm1 4.184 ppm2 0.706 CV 1 ASSI { 757} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG13)) 2.700 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.35371E-02 ppm1 1.767 ppm2 1.325 CV 1 ASSI { 758} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) 2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.35357E-02 ppm1 1.261 ppm2 -0.191 CV 1 ASSI { 762} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HD1%) 1.800 0.400 0.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 1.169 ppm2 -0.190 CV 1 ASSI { 767} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.700 0.900 0.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.34677E-02 ppm1 1.501 ppm2 2.962 CV 1 ASSI { 770} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.600 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.34076E-02 ppm1 2.448 ppm2 1.996 CV 1 ASSI { 773} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.33928E-02 ppm1 0.821 ppm2 1.155 CV 1 OR { 773} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) ASSI { 787} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.600 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.33162E-02 ppm1 4.412 ppm2 1.754 CV 1 ASSI { 790} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HA )) 3.000 3.000 3.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.32760E-02 ppm1 4.539 ppm2 4.766 CV 1 ASSI { 791} (( segid " " and resid 132 and name HA )) (( segid " " and resid 130 and name HA )) 3.000 3.000 3.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.32597E-02 ppm1 4.537 ppm2 4.309 CV 1 ASSI { 795} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.800 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.32332E-02 ppm1 2.158 ppm2 4.546 CV 1 OR { 795} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HA )) ASSI { 796} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HA )) 2.100 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.32308E-02 ppm1 4.773 ppm2 5.346 CV 1 ASSI { 799} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 3.300 1.400 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.32196E-02 ppm1 4.185 ppm2 2.317 CV 1 ASSI { 802} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.32146E-02 ppm1 2.198 ppm2 2.315 CV 1 ASSI { 803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.32080E-02 ppm1 0.482 ppm2 -0.191 CV 1 ASSI { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD3 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 4.661 ppm2 3.607 CV 1 OR { 805} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) 2.600 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.31963E-02 ppm1 1.687 ppm2 1.988 CV 1 OR { 806} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) ASSI { 809} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) 2.300 0.700 0.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.31846E-02 ppm1 2.282 ppm2 2.902 CV 1 ASSI { 815} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HG12)) 2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.31582E-02 ppm1 0.754 ppm2 1.112 CV 1 ASSI { 821} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HB3 )) 2.600 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.31272E-02 ppm1 2.523 ppm2 2.058 CV 1 ASSI { 826} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.900 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.30911E-02 ppm1 4.707 ppm2 2.795 CV 1 ASSI { 827} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.30878E-02 ppm1 1.845 ppm2 4.590 CV 1 ASSI { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HD1%) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.30480E-02 ppm1 1.301 ppm2 0.676 CV 1 OR { 836} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) ASSI { 837} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HA )) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.30370E-02 ppm1 3.746 ppm2 5.035 CV 1 ASSI { 839} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.30237E-02 ppm1 1.182 ppm2 0.636 CV 1 ASSI { 840} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HG2%) 2.300 2.300 3.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 1.756 ppm2 0.396 CV 1 ASSI { 844} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.29919E-02 ppm1 1.933 ppm2 4.765 CV 1 OR { 844} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 846} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 125 and name HD1%) 2.500 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 1.750 ppm2 -0.185 CV 1 ASSI { 851} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HD1%) 3.000 3.000 3.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.29590E-02 ppm1 0.659 ppm2 -0.191 CV 1 ASSI { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.29544E-02 ppm1 1.804 ppm2 0.658 CV 1 OR { 852} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HD1%) ASSI { 856} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.29278E-02 ppm1 2.080 ppm2 4.328 CV 1 ASSI { 857} (( segid " " and resid 143 and name HE2 )) ( segid " " and resid 139 and name HG2%) 2.100 2.100 3.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.29260E-02 ppm1 2.978 ppm2 0.722 CV 1 OR { 857} (( segid " " and resid 143 and name HE3 )) ( segid " " and resid 139 and name HG2%) ASSI { 860} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 152 and name HD1%) 2.300 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.29141E-02 ppm1 2.597 ppm2 0.679 CV 1 ASSI { 863} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HA )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.29082E-02 ppm1 3.939 ppm2 5.448 CV 1 ASSI { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD2 )) 2.100 2.100 3.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 2.980 ppm2 3.631 CV 1 OR { 865} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 865} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 868} (( segid " " and resid 135 and name HA )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.28950E-02 ppm1 4.778 ppm2 3.680 CV 1 ASSI { 877} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.28513E-02 ppm1 4.398 ppm2 2.330 CV 1 ASSI { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG3 )) 2.200 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.28445E-02 ppm1 0.045 ppm2 0.645 CV 1 OR { 878} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 879} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.28442E-02 ppm1 1.696 ppm2 2.875 CV 1 ASSI { 886} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.28267E-02 ppm1 2.735 ppm2 2.324 CV 1 ASSI { 888} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HA )) 2.900 2.900 3.100 peak 888 spectrum 1 weight 0.10000E+01 volume 0.28155E-02 ppm1 4.520 ppm2 5.365 CV 1 ASSI { 889} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.800 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.28121E-02 ppm1 1.910 ppm2 4.326 CV 1 ASSI { 893} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.28004E-02 ppm1 2.942 ppm2 5.005 CV 1 ASSI { 896} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HG13)) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.27915E-02 ppm1 0.770 ppm2 1.326 CV 1 ASSI { 900} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.27806E-02 ppm1 0.482 ppm2 0.399 CV 1 ASSI { 901} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HD1%) 3.000 1.100 1.100 peak 901 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 4.011 ppm2 0.727 CV 1 ASSI { 905} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HG13)) 2.600 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.27621E-02 ppm1 0.401 ppm2 1.087 CV 1 ASSI { 909} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 3.100 1.200 1.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.27449E-02 ppm1 4.340 ppm2 4.566 CV 1 ASSI { 912} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HB3 )) 3.600 3.600 2.400 peak 912 spectrum 1 weight 0.10000E+01 volume 0.27371E-02 ppm1 0.826 ppm2 2.044 CV 1 ASSI { 913} (( segid " " and resid 138 and name HA1 )) (( segid " " and resid 138 and name HA2 )) 2.100 0.500 0.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.27351E-02 ppm1 3.843 ppm2 5.218 CV 1 ASSI { 914} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.100 2.100 3.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 1.166 ppm2 4.276 CV 1 ASSI { 915} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HB2 )) 2.200 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.99235E-02 ppm1 2.171 ppm2 1.858 CV 1 OR { 915} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HB2 )) ASSI { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.26913E-02 ppm1 4.524 ppm2 1.938 CV 1 OR { 921} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) ASSI { 923} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 144 and name HA )) 2.600 0.800 0.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.26870E-02 ppm1 0.704 ppm2 5.449 CV 1 ASSI { 924} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 4.543 ppm2 1.596 CV 1 ASSI { 925} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.800 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.26766E-02 ppm1 0.730 ppm2 1.761 CV 1 ASSI { 930} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB3 )) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 1.255 ppm2 1.414 CV 1 ASSI { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) 2.900 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.26547E-02 ppm1 5.382 ppm2 1.986 CV 1 OR { 931} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) ASSI { 936} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HA )) 3.400 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.26185E-02 ppm1 4.284 ppm2 5.203 CV 1 ASSI { 937} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HG )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.26178E-02 ppm1 0.449 ppm2 1.840 CV 1 ASSI { 940} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 146 and name HB3 )) 3.700 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.25956E-02 ppm1 1.731 ppm2 2.051 CV 1 OR { 940} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 146 and name HB3 )) ASSI { 942} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.600 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.25889E-02 ppm1 2.200 ppm2 4.184 CV 1 ASSI { 944} (( segid " " and resid 156 and name HA )) (( segid " " and resid 129 and name HA2 )) 2.100 2.100 3.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.25783E-02 ppm1 4.438 ppm2 3.998 CV 1 ASSI { 949} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HG13)) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.25580E-02 ppm1 0.689 ppm2 1.446 CV 1 ASSI { 955} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG3 )) 2.700 0.900 0.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.25332E-02 ppm1 2.202 ppm2 2.499 CV 1 ASSI { 959} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.25237E-02 ppm1 2.597 ppm2 5.003 CV 1 ASSI { 965} (( segid " " and resid 106 and name HA )) ( segid " " and resid 121 and name HG1%) 2.900 2.900 3.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.25098E-02 ppm1 4.178 ppm2 0.792 CV 1 ASSI { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD1%) 2.600 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.24670E-02 ppm1 1.746 ppm2 0.849 CV 1 OR { 977} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 140 and name HD2%) ASSI { 983} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 152 and name HD1%) 3.500 1.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 2.942 ppm2 0.678 CV 1 ASSI { 994} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.100 0.600 0.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.24049E-02 ppm1 1.743 ppm2 1.159 CV 1 ASSI { 1009} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.23613E-02 ppm1 1.726 ppm2 4.445 CV 1 OR { 1009} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) ASSI { 1010} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 123 and name HA )) 2.900 2.900 3.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.23554E-02 ppm1 1.529 ppm2 4.392 CV 1 ASSI { 1011} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 1.294 ppm2 4.658 CV 1 OR { 1011} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) ASSI { 1013} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.23537E-02 ppm1 0.844 ppm2 6.906 CV 1 ASSI { 1017} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 2.100 0.600 0.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.98797E-02 ppm1 2.324 ppm2 2.081 CV 1 OR { 1017} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 1019} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 1.252 ppm2 1.837 CV 1 ASSI { 1022} (( segid " " and resid 103 and name HA )) (( segid " " and resid 154 and name HA )) 3.500 1.600 1.600 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 5.002 ppm2 4.334 CV 1 ASSI { 1023} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.200 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 0.653 ppm2 0.040 CV 1 ASSI { 1025} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.600 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.23070E-02 ppm1 5.345 ppm2 1.598 CV 1 ASSI { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD2%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.22899E-02 ppm1 4.352 ppm2 0.686 CV 1 OR { 1031} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HD1%) ASSI { 1032} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 109 and name HA )) 2.800 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.22847E-02 ppm1 3.610 ppm2 4.659 CV 1 OR { 1032} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 109 and name HA )) ASSI { 1035} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.200 0.600 0.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.22750E-02 ppm1 2.503 ppm2 4.184 CV 1 ASSI { 1037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG13)) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 1.262 ppm2 1.081 CV 1 ASSI { 1043} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB3 )) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.22611E-02 ppm1 5.171 ppm2 2.055 CV 1 ASSI { 1057} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 137 and name HB2 )) 2.900 2.900 3.100 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.22169E-02 ppm1 1.097 ppm2 1.768 CV 1 OR { 1057} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 137 and name HB3 )) ASSI { 1062} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HG12)) 2.700 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.21943E-02 ppm1 1.765 ppm2 1.052 CV 1 ASSI { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB3 )) 2.800 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.21773E-02 ppm1 5.004 ppm2 1.496 CV 1 OR { 1071} (( segid " " and resid 103 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 1072} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.600 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 1.426 ppm2 0.676 CV 1 OR { 1072} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 117 and name HD2%) ASSI { 1078} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 108 and name HA )) 3.100 3.100 2.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.21707E-02 ppm1 1.916 ppm2 4.113 CV 1 ASSI { 1079} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 2.300 0.700 0.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.21693E-02 ppm1 2.652 ppm2 2.826 CV 1 ASSI { 1080} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HB3 )) 3.700 1.800 1.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.21621E-02 ppm1 2.886 ppm2 1.754 CV 1 OR { 1080} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HB3 )) ASSI { 1081} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 139 and name HG2%) 3.300 3.300 2.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.21455E-02 ppm1 1.246 ppm2 0.723 CV 1 ASSI { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD2%) 3.300 1.300 1.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 2.333 ppm2 0.821 CV 1 OR { 1082} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 140 and name HD1%) ASSI { 1089} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.21283E-02 ppm1 4.400 ppm2 2.732 CV 1 ASSI { 1090} (( segid " " and resid 164 and name HG12)) (( segid " " and resid 164 and name HA )) 3.300 1.300 1.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.21247E-02 ppm1 1.053 ppm2 4.009 CV 1 ASSI { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG2 )) 2.200 2.200 3.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.21045E-02 ppm1 0.715 ppm2 1.987 CV 1 OR { 1095} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HG3 )) ASSI { 1099} (( segid " " and resid 108 and name HA )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.20890E-02 ppm1 4.082 ppm2 4.544 CV 1 ASSI { 1104} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB )) 2.800 1.000 1.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 4.173 ppm2 1.871 CV 1 ASSI { 1110} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.500 1.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.20446E-02 ppm1 1.254 ppm2 0.722 CV 1 ASSI { 1111} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.20343E-02 ppm1 1.422 ppm2 4.588 CV 1 ASSI { 1112} (( segid " " and resid 138 and name HA2 )) ( segid " " and resid 127 and name HG2%) 3.400 1.400 1.400 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.20337E-02 ppm1 5.223 ppm2 0.739 CV 1 ASSI { 1115} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 147 and name HD% ) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 0.659 ppm2 6.853 CV 1 ASSI { 1116} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HG2 )) 3.500 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.20267E-02 ppm1 3.610 ppm2 1.967 CV 1 OR { 1116} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HG2 )) ASSI { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD2%) 3.400 1.400 1.400 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.20010E-02 ppm1 5.003 ppm2 0.722 CV 1 OR { 1121} (( segid " " and resid 103 and name HA )) ( segid " " and resid 155 and name HD1%) ASSI { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20008E-02 ppm1 1.256 ppm2 0.677 CV 1 OR { 1122} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 117 and name HD2%) ASSI { 1139} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HB3 )) 2.400 0.700 0.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.19720E-02 ppm1 1.930 ppm2 2.870 CV 1 ASSI { 1141} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.19676E-02 ppm1 3.721 ppm2 2.887 CV 1 ASSI { 1142} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 5.208 ppm2 7.057 CV 1 ASSI { 1148} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.19570E-02 ppm1 0.743 ppm2 1.181 CV 1 ASSI { 1149} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 125 and name HG2%) 3.900 1.900 1.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.19552E-02 ppm1 3.844 ppm2 0.397 CV 1 ASSI { 1161} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 143 and name HG2 )) 2.800 1.000 1.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19268E-02 ppm1 1.256 ppm2 1.245 CV 1 ASSI { 1162} ( segid " " and resid 162 and name HD2%) (( segid " " and resid 161 and name HB2 )) 2.200 2.200 3.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.19253E-02 ppm1 0.750 ppm2 1.893 CV 1 OR { 1162} ( segid " " and resid 162 and name HD1%) (( segid " " and resid 161 and name HB2 )) ASSI { 1166} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 1.774 ppm2 1.112 CV 1 ASSI { 1170} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 127 and name HG1%) 3.400 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 0.860 ppm2 1.127 CV 1 ASSI { 1179} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 1.260 ppm2 4.272 CV 1 ASSI { 1181} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.800 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.18767E-02 ppm1 1.424 ppm2 1.837 CV 1 ASSI { 1185} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 2.900 1.000 1.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.18628E-02 ppm1 2.196 ppm2 4.767 CV 1 ASSI { 1188} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.900 1.900 1.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.18588E-02 ppm1 0.746 ppm2 2.049 CV 1 ASSI { 1194} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 139 and name HG1%) 2.900 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.18461E-02 ppm1 1.932 ppm2 0.818 CV 1 OR { 1194} (( segid " " and resid 126 and name HB3 )) ( segid " " and resid 139 and name HG1%) ASSI { 1195} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 153 and name HD2 )) 3.100 3.100 2.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 2.137 ppm2 1.544 CV 1 OR { 1195} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 153 and name HD3 )) ASSI { 1210} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 1.956 ppm2 4.766 CV 1 ASSI { 1213} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB3 )) 3.800 3.800 2.200 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 5.009 ppm2 2.617 CV 1 ASSI { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB2 )) 3.000 1.200 1.200 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 2.575 ppm2 1.741 CV 1 OR { 1215} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 1217} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 3.000 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.18028E-02 ppm1 3.961 ppm2 1.885 CV 1 ASSI { 1222} (( segid " " and resid 119 and name HA )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.17910E-02 ppm1 4.655 ppm2 0.725 CV 1 ASSI { 1232} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.300 2.300 3.700 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 0.659 ppm2 0.399 CV 1 ASSI { 1233} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.17664E-02 ppm1 1.424 ppm2 0.721 CV 1 ASSI { 1239} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 2.901 ppm2 4.534 CV 1 ASSI { 1240} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HA1 )) 2.800 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.17582E-02 ppm1 0.704 ppm2 3.468 CV 1 ASSI { 1241} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.17539E-02 ppm1 4.369 ppm2 2.195 CV 1 ASSI { 1245} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.17440E-02 ppm1 1.759 ppm2 4.544 CV 1 ASSI { 1249} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 146 and name HB3 )) 3.300 3.300 2.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17382E-02 ppm1 1.092 ppm2 2.055 CV 1 ASSI { 1251} (( segid " " and resid 132 and name HA )) (( segid " " and resid 136 and name HA )) 3.500 3.500 2.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.17368E-02 ppm1 4.536 ppm2 5.198 CV 1 ASSI { 1252} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.17327E-02 ppm1 4.656 ppm2 1.159 CV 1 ASSI { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.17283E-02 ppm1 5.170 ppm2 1.740 CV 1 OR { 1253} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 1255} (( segid " " and resid 130 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.17238E-02 ppm1 4.274 ppm2 7.057 CV 1 ASSI { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD2 )) 3.100 3.100 2.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 1.555 ppm2 1.546 CV 1 OR { 1258} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 153 and name HD3 )) ASSI { 1263} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.17127E-02 ppm1 2.188 ppm2 1.607 CV 1 ASSI { 1264} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 4.362 ppm2 1.974 CV 1 ASSI { 1266} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA2 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.16996E-02 ppm1 0.716 ppm2 4.451 CV 1 ASSI { 1270} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 140 and name HB2 )) 3.400 3.400 2.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 2.884 ppm2 1.144 CV 1 OR { 1270} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1283} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB )) 2.600 0.900 0.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.16658E-02 ppm1 0.687 ppm2 1.804 CV 1 ASSI { 1285} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 105 and name HB )) 3.700 1.700 1.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.16603E-02 ppm1 2.795 ppm2 2.150 CV 1 ASSI { 1286} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 139 and name HA )) 3.400 1.500 1.500 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 1.093 ppm2 5.020 CV 1 ASSI { 1290} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 119 and name HB2 )) 2.800 1.000 1.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 0.863 ppm2 1.618 CV 1 ASSI { 1291} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 147 and name HD% ) 3.200 1.300 1.300 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.16511E-02 ppm1 1.132 ppm2 6.857 CV 1 ASSI { 1296} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.600 1.600 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 0.402 ppm2 6.856 CV 1 ASSI { 1310} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 0.715 ppm2 1.675 CV 1 ASSI { 1312} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.16106E-02 ppm1 5.383 ppm2 1.675 CV 1 ASSI { 1314} (( segid " " and resid 164 and name HG13)) (( segid " " and resid 164 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 1.334 ppm2 4.009 CV 1 ASSI { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD2%) 3.400 1.500 1.500 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.16034E-02 ppm1 0.480 ppm2 0.821 CV 1 OR { 1318} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 140 and name HD1%) ASSI { 1321} (( segid " " and resid 125 and name HB )) ( segid " " and resid 127 and name HG1%) 3.000 1.100 1.100 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 1.264 ppm2 1.129 CV 1 ASSI { 1323} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.500 1.500 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.15883E-02 ppm1 2.158 ppm2 2.829 CV 1 OR { 1323} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 1326} (( segid " " and resid 105 and name HB )) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.15840E-02 ppm1 2.155 ppm2 2.875 CV 1 ASSI { 1329} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.000 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.15805E-02 ppm1 3.677 ppm2 0.634 CV 1 ASSI { 1343} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 2.900 1.100 1.100 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.15595E-02 ppm1 1.431 ppm2 1.160 CV 1 ASSI { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD2%) 3.600 1.600 1.600 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 1.084 ppm2 0.820 CV 1 OR { 1348} (( segid " " and resid 125 and name HG13)) ( segid " " and resid 140 and name HD1%) ASSI { 1349} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.600 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.15546E-02 ppm1 5.038 ppm2 1.795 CV 1 ASSI { 1356} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.900 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.15457E-02 ppm1 3.607 ppm2 4.543 CV 1 OR { 1356} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HA )) ASSI { 1357} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) 3.100 1.200 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.15416E-02 ppm1 1.574 ppm2 4.561 CV 1 OR { 1357} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) ASSI { 1360} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HA )) 3.500 1.500 1.500 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.15377E-02 ppm1 0.690 ppm2 4.566 CV 1 ASSI { 1362} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 5.382 ppm2 1.792 CV 1 ASSI { 1363} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 119 and name HD2%) 2.300 2.300 3.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.15330E-02 ppm1 0.657 ppm2 0.447 CV 1 ASSI { 1374} (( segid " " and resid 137 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.500 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.15150E-02 ppm1 5.166 ppm2 1.966 CV 1 ASSI { 1390} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.800 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 1.857 ppm2 5.020 CV 1 ASSI { 1396} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HA )) 3.000 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.14780E-02 ppm1 1.776 ppm2 4.817 CV 1 ASSI { 1400} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.900 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 4.661 ppm2 2.856 CV 1 ASSI { 1403} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 0.742 ppm2 1.609 CV 1 ASSI { 1408} (( segid " " and resid 155 and name HG )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 1.485 ppm2 5.006 CV 1 ASSI { 1409} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB3 )) 3.200 1.300 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.14615E-02 ppm1 4.657 ppm2 1.744 CV 1 ASSI { 1410} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 117 and name HD1%) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14613E-02 ppm1 1.747 ppm2 0.678 CV 1 ASSI { 1413} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.200 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 1.984 ppm2 4.372 CV 1 ASSI { 1416} (( segid " " and resid 137 and name HG3 )) ( segid " " and resid 128 and name HG2%) 3.100 1.200 1.200 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.14499E-02 ppm1 2.465 ppm2 0.750 CV 1 ASSI { 1422} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 146 and name HG2 )) 3.700 1.800 1.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.14446E-02 ppm1 0.829 ppm2 2.465 CV 1 ASSI { 1429} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB3 )) 3.800 3.800 2.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 0.660 ppm2 2.952 CV 1 ASSI { 1445} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG3 )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 1.777 ppm2 2.464 CV 1 ASSI { 1447} (( segid " " and resid 125 and name HB )) ( segid " " and resid 119 and name HD2%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 1.261 ppm2 0.462 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.14033E-02 ppm1 4.536 ppm2 2.269 CV 1 ASSI { 1457} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.13892E-02 ppm1 0.752 ppm2 6.813 CV 1 ASSI { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.300 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 5.168 ppm2 2.141 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 132 and name HG2 )) ASSI { 1461} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG3 )) 3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 4.327 ppm2 2.361 CV 1 ASSI { 1464} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HA )) 3.400 3.400 2.600 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 3.657 ppm2 4.515 CV 1 ASSI { 1467} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HD1%) 2.300 2.300 3.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.13855E-02 ppm1 0.719 ppm2 -0.157 CV 1 ASSI { 1471} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.13804E-02 ppm1 2.984 ppm2 2.624 CV 1 ASSI { 1473} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.500 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.13743E-02 ppm1 2.209 ppm2 2.443 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.13727E-02 ppm1 4.779 ppm2 2.828 CV 1 ASSI { 1480} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 143 and name HB3 )) 3.500 1.500 1.500 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 2.978 ppm2 1.849 CV 1 OR { 1480} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 143 and name HB3 )) ASSI { 1482} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.200 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.13641E-02 ppm1 4.681 ppm2 2.896 CV 1 ASSI { 1488} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 146 and name HG2 )) 3.500 3.500 2.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 2.016 ppm2 2.484 CV 1 ASSI { 1490} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 117 and name HD1%) 3.100 1.200 1.200 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 1.166 ppm2 0.677 CV 1 ASSI { 1498} ( segid " " and resid 117 and name HD2%) ( segid " " and resid 147 and name HD% ) 2.700 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 0.676 ppm2 6.812 CV 1 ASSI { 1502} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HG )) 3.000 1.100 1.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.13397E-02 ppm1 5.343 ppm2 1.456 CV 1 ASSI { 1508} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 132 and name HB3 )) 3.600 1.600 1.600 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.13328E-02 ppm1 0.840 ppm2 2.242 CV 1 ASSI { 1518} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 139 and name HG2%) 2.400 2.400 3.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.99817E-02 ppm1 1.837 ppm2 0.721 CV 1 ASSI { 1522} (( segid " " and resid 126 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.800 1.800 1.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.13106E-02 ppm1 4.772 ppm2 1.603 CV 1 ASSI { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD3 )) 3.500 1.500 1.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 1.296 ppm2 3.606 CV 1 OR { 1524} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HD3 )) OR { 1524} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1531} (( segid " " and resid 119 and name HG )) ( segid " " and resid 119 and name HD1%) 2.700 0.900 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 1.835 ppm2 0.751 CV 1 ASSI { 1532} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 128 and name HG1%) 3.600 1.600 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 1.944 ppm2 0.818 CV 1 ASSI { 1535} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HB2 )) 3.400 3.400 2.600 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.12960E-02 ppm1 1.949 ppm2 1.613 CV 1 ASSI { 1541} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 138 and name HA2 )) 3.400 1.400 1.400 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.12911E-02 ppm1 0.401 ppm2 5.221 CV 1 ASSI { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD3 )) 3.100 1.200 1.200 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.12768E-02 ppm1 2.968 ppm2 1.549 CV 1 OR { 1551} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HD2 )) ASSI { 1555} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG2 )) 3.000 1.100 1.100 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 4.328 ppm2 2.323 CV 1 ASSI { 1562} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) 3.000 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 0.482 ppm2 4.272 CV 1 ASSI { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD3 )) 3.100 1.200 1.200 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 0.785 ppm2 3.611 CV 1 OR { 1576} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HD2 )) ASSI { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE3 )) 3.200 1.300 1.300 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 0.843 ppm2 2.802 CV 1 OR { 1579} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 153 and name HE2 )) ASSI { 1580} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HA )) 3.300 1.400 1.400 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.12369E-02 ppm1 0.701 ppm2 4.659 CV 1 ASSI { 1584} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HG3 )) 2.800 1.000 1.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 1.993 ppm2 2.563 CV 1 OR { 1584} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HG3 )) ASSI { 1585} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HB )) 2.900 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.12319E-02 ppm1 0.485 ppm2 1.255 CV 1 ASSI { 1586} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) 3.300 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 0.705 ppm2 4.539 CV 1 ASSI { 1587} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HA )) 2.900 1.100 1.100 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 2.026 ppm2 5.857 CV 1 OR { 1587} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) ASSI { 1594} ( segid " " and resid 128 and name HG1%) (( segid " " and resid 130 and name HA )) 3.300 1.300 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 0.818 ppm2 4.282 CV 1 ASSI { 1599} (( segid " " and resid 125 and name HG13)) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.12203E-02 ppm1 1.087 ppm2 4.270 CV 1 ASSI { 1613} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 1.133 ppm2 5.345 CV 1 ASSI { 1619} (( segid " " and resid 104 and name HA )) (( segid " " and resid 124 and name HG12)) 2.100 0.600 0.600 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.99235E-02 ppm1 5.383 ppm2 1.102 CV 1 ASSI { 1622} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HB2 )) 3.500 1.500 1.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 0.450 ppm2 1.617 CV 1 ASSI { 1630} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.300 1.400 1.400 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.11866E-02 ppm1 4.775 ppm2 2.638 CV 1 ASSI { 1631} (( segid " " and resid 105 and name HA )) ( segid " " and resid 119 and name HD1%) 4.000 2.000 2.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 3.750 ppm2 0.773 CV 1 ASSI { 1633} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 125 and name HG2%) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 0.756 ppm2 0.412 CV 1 ASSI { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.11807E-02 ppm1 4.658 ppm2 1.317 CV 1 OR { 1639} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) ASSI { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE2 )) 2.200 0.600 0.600 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.99817E-02 ppm1 1.716 ppm2 2.976 CV 1 OR { 1642} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HE3 )) ASSI { 1652} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 104 and name HA )) 3.400 1.500 1.500 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 0.751 ppm2 5.364 CV 1 ASSI { 1669} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.800 1.000 1.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 5.343 ppm2 1.680 CV 1 ASSI { 1672} (( segid " " and resid 138 and name HA2 )) (( segid " " and resid 127 and name HA )) 2.100 0.600 0.600 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 5.223 ppm2 4.121 CV 1 ASSI { 1675} (( segid " " and resid 118 and name HA )) ( segid " " and resid 147 and name HD% ) 3.700 3.700 2.300 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 4.509 ppm2 6.824 CV 1 ASSI { 1688} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.11296E-02 ppm1 4.661 ppm2 4.541 CV 1 ASSI { 1689} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 151 and name HA )) 3.300 3.300 2.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.11295E-02 ppm1 0.841 ppm2 4.677 CV 1 ASSI { 1702} (( segid " " and resid 127 and name HA )) (( segid " " and resid 138 and name HA1 )) 3.400 1.500 1.500 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 4.131 ppm2 3.838 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.11009E-02 ppm1 1.182 ppm2 3.676 CV 1 ASSI { 1722} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 154 and name HA )) 3.900 1.900 1.900 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 2.940 ppm2 4.327 CV 1 ASSI { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB2 )) 3.900 1.900 1.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.10951E-02 ppm1 2.476 ppm2 1.742 CV 1 OR { 1723} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 137 and name HB3 )) ASSI { 1731} (( segid " " and resid 126 and name HA )) (( segid " " and resid 155 and name HG )) 3.400 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.10875E-02 ppm1 4.770 ppm2 1.461 CV 1 ASSI { 1732} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 0.654 ppm2 1.180 CV 1 ASSI { 1736} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 1.428 ppm2 4.656 CV 1 ASSI { 1739} (( segid " " and resid 136 and name HA )) ( segid " " and resid 128 and name HG1%) 3.200 1.300 1.300 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.10839E-02 ppm1 5.210 ppm2 0.817 CV 1 ASSI { 1744} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 127 and name HG1%) 2.400 2.400 3.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 0.690 ppm2 1.131 CV 1 ASSI { 1757} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 1.908 ppm2 4.541 CV 1 ASSI { 1760} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HB3 )) 3.600 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 3.813 ppm2 1.405 CV 1 ASSI { 1761} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HA )) 3.400 1.400 1.400 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 0.399 ppm2 4.126 CV 1 ASSI { 1766} (( segid " " and resid 152 and name HA )) ( segid " " and resid 105 and name HG1%) 3.500 1.600 1.600 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 5.039 ppm2 0.847 CV 1 ASSI { 1767} (( segid " " and resid 140 and name HA )) (( segid " " and resid 125 and name HA )) 3.000 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 4.658 ppm2 4.273 CV 1 ASSI { 1778} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG13)) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 2.971 ppm2 1.451 CV 1 ASSI { 1782} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 2.854 ppm2 2.480 CV 1 ASSI { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG3 )) 3.300 1.300 1.300 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 2.623 ppm2 2.150 CV 1 OR { 1797} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HG2 )) ASSI { 1799} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 152 and name HD1%) 3.400 1.400 1.400 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 2.361 ppm2 0.682 CV 1 OR { 1799} (( segid " " and resid 154 and name HG3 )) ( segid " " and resid 152 and name HD1%) ASSI { 1805} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HA )) 3.900 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 2.880 ppm2 4.549 CV 1 OR { 1805} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HA )) ASSI { 1817} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) 2.700 0.900 0.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.99235E-02 ppm1 5.383 ppm2 0.857 CV 1 ASSI { 1820} (( segid " " and resid 149 and name HA )) ( segid " " and resid 152 and name HG2%) 2.900 1.100 1.100 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.10070E-02 ppm1 2.972 ppm2 0.678 CV 1 ASSI { 1822} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 2.860 ppm2 0.757 CV 1 ASSI { 1829} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 124 and name HG13)) 3.800 1.800 1.800 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 1.987 ppm2 1.560 CV 1 OR { 1829} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 124 and name HG13)) ASSI { 1853} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.900 1.000 1.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.98336E-03 ppm1 5.861 ppm2 1.972 CV 1 ASSI { 1857} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG2 )) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.98191E-03 ppm1 4.660 ppm2 1.974 CV 1 ASSI { 1864} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.97958E-03 ppm1 1.747 ppm2 0.716 CV 1 ASSI { 1865} (( segid " " and resid 154 and name HA )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.97958E-03 ppm1 4.328 ppm2 0.684 CV 1 ASSI { 1866} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.900 1.900 1.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.97954E-03 ppm1 2.595 ppm2 4.327 CV 1 ASSI { 1874} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.97124E-03 ppm1 2.003 ppm2 0.753 CV 1 ASSI { 1889} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 125 and name HD1%) 3.600 1.600 1.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.96108E-03 ppm1 0.690 ppm2 -0.191 CV 1 ASSI { 1903} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.900 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.95017E-03 ppm1 4.661 ppm2 2.480 CV 1 ASSI { 1904} ( segid " " and resid 127 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.800 1.800 1.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.95008E-03 ppm1 0.737 ppm2 6.855 CV 1 ASSI { 1910} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HG )) 3.000 1.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.94467E-03 ppm1 2.710 ppm2 1.423 CV 1 ASSI { 1913} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 103 and name HB2 )) 4.100 2.100 1.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.94238E-03 ppm1 0.659 ppm2 2.600 CV 1 ASSI { 1914} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 154 and name HB2 )) 2.500 2.500 3.500 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.94238E-03 ppm1 1.569 ppm2 1.942 CV 1 OR { 1914} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HB2 )) ASSI { 1924} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 127 and name HG1%) 3.600 1.600 1.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.93451E-03 ppm1 2.943 ppm2 1.130 CV 1 ASSI { 1926} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 119 and name HD2%) 4.300 2.300 1.700 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.93315E-03 ppm1 1.428 ppm2 0.451 CV 1 ASSI { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD3 )) 3.700 1.700 1.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.92777E-03 ppm1 0.689 ppm2 1.549 CV 1 OR { 1939} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HD2 )) ASSI { 1945} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HA )) 3.700 1.700 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.92388E-03 ppm1 4.692 ppm2 4.485 CV 1 ASSI { 1956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB3 )) 3.200 1.200 1.200 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.91962E-03 ppm1 4.688 ppm2 3.724 CV 1 ASSI { 1959} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 140 and name HD2%) 3.900 1.900 1.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.91842E-03 ppm1 1.458 ppm2 0.809 CV 1 ASSI { 1965} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 159 and name HA )) 3.700 1.700 1.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.91352E-03 ppm1 2.169 ppm2 4.368 CV 1 OR { 1965} (( segid " " and resid 158 and name HG3 )) (( segid " " and resid 159 and name HA )) ASSI { 1971} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.90626E-03 ppm1 0.825 ppm2 4.341 CV 1 ASSI { 1972} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.200 1.300 1.300 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.90598E-03 ppm1 2.899 ppm2 4.675 CV 1 ASSI { 1981} (( segid " " and resid 105 and name HB )) (( segid " " and resid 152 and name HB )) 2.800 2.800 3.200 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.90004E-03 ppm1 2.172 ppm2 1.842 CV 1 ASSI { 1989} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 3.700 1.800 1.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.89611E-03 ppm1 2.197 ppm2 1.676 CV 1 ASSI { 1993} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 139 and name HG2%) 3.800 1.800 1.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.89466E-03 ppm1 1.716 ppm2 0.722 CV 1 ASSI { 2001} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.500 2.500 3.500 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.89109E-03 ppm1 1.879 ppm2 4.545 CV 1 ASSI { 2014} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 129 and name HN )) 4.600 2.600 1.400 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.88162E-03 ppm1 1.130 ppm2 7.491 CV 1 ASSI { 2015} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 109 and name HE% ) 5.000 3.100 1.000 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.88158E-03 ppm1 3.842 ppm2 6.860 CV 1 ASSI { 2021} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) 3.000 1.100 1.100 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.88089E-03 ppm1 2.876 ppm2 5.202 CV 1 ASSI { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD2 )) 3.300 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.87861E-03 ppm1 2.464 ppm2 3.612 CV 1 OR { 2024} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2028} ( segid " " and resid 127 and name HG1%) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.98737E-02 ppm1 1.129 ppm2 4.122 CV 1 ASSI { 2032} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.900 1.100 1.100 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.87491E-03 ppm1 2.157 ppm2 3.740 CV 1 ASSI { 2066} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 147 and name HD% ) 2.500 2.500 3.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.85681E-03 ppm1 0.689 ppm2 6.813 CV 1 ASSI { 2085} (( segid " " and resid 143 and name HE3 )) (( segid " " and resid 118 and name HA )) 2.500 2.500 3.500 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.84971E-03 ppm1 2.977 ppm2 4.586 CV 1 OR { 2085} (( segid " " and resid 143 and name HE2 )) (( segid " " and resid 118 and name HA )) ASSI { 2097} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 119 and name HD2%) 3.500 1.500 1.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.84421E-03 ppm1 1.257 ppm2 0.450 CV 1 ASSI { 2110} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HA )) 3.700 1.700 1.700 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.83952E-03 ppm1 0.744 ppm2 5.004 CV 1 ASSI { 2122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 118 and name HB2 )) 4.000 2.000 2.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.83281E-03 ppm1 3.612 ppm2 1.763 CV 1 OR { 2122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 2132} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.400 2.400 3.600 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.99885E-02 ppm1 1.262 ppm2 4.563 CV 1 OR { 2132} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) ASSI { 2136} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 136 and name HE3 )) 3.600 1.600 1.600 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.82764E-03 ppm1 0.693 ppm2 7.010 CV 1 ASSI { 2138} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 140 and name HD1%) 3.400 1.400 1.400 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.82679E-03 ppm1 2.716 ppm2 0.820 CV 1 ASSI { 2159} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 127 and name HG1%) 3.700 1.800 1.800 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.81985E-03 ppm1 2.595 ppm2 1.131 CV 1 ASSI { 2178} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.81030E-03 ppm1 0.479 ppm2 0.722 CV 1 ASSI { 2182} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.400 1.500 1.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.80849E-03 ppm1 2.894 ppm2 0.752 CV 1 ASSI { 2183} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 120 and name HB2 )) 3.900 3.900 2.100 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.80793E-03 ppm1 3.915 ppm2 1.601 CV 1 OR { 2183} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 120 and name HB2 )) ASSI { 2186} (( segid " " and resid 128 and name HA )) (( segid " " and resid 100 and name HA )) 3.300 1.300 1.300 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.80609E-03 ppm1 4.173 ppm2 4.396 CV 1 ASSI { 2207} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 150 and name HB3 )) 4.000 2.000 2.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.79762E-03 ppm1 0.047 ppm2 2.619 CV 1 ASSI { 2209} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 3.900 1.900 1.900 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.79673E-03 ppm1 2.582 ppm2 5.855 CV 1 ASSI { 2224} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 119 and name HD1%) 3.700 1.700 1.700 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.79188E-03 ppm1 3.716 ppm2 0.752 CV 1 ASSI { 2234} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 129 and name HA1 )) 3.600 3.600 2.400 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.78895E-03 ppm1 2.170 ppm2 3.730 CV 1 OR { 2234} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 129 and name HA1 )) ASSI { 2243} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HB2 )) 3.200 1.300 1.300 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.78598E-03 ppm1 4.402 ppm2 1.502 CV 1 OR { 2243} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HB3 )) ASSI { 2275} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 127 and name HG2%) 2.800 1.000 1.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.77759E-03 ppm1 2.876 ppm2 0.757 CV 1 ASSI { 2277} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.77719E-03 ppm1 2.652 ppm2 7.023 CV 1 ASSI { 2278} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG )) 3.700 1.700 1.700 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.77695E-03 ppm1 4.665 ppm2 1.456 CV 1 ASSI { 2285} (( segid " " and resid 144 and name HB )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.77554E-03 ppm1 3.942 ppm2 0.706 CV 1 ASSI { 2289} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 147 and name HD% ) 4.200 2.200 1.800 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.77498E-03 ppm1 -0.195 ppm2 6.814 CV 1 ASSI { 2293} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HG13)) 3.500 1.500 1.500 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.77390E-03 ppm1 0.619 ppm2 1.089 CV 1 ASSI { 2303} (( segid " " and resid 138 and name HA1 )) ( segid " " and resid 139 and name HG1%) 3.800 1.800 1.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.77105E-03 ppm1 3.849 ppm2 0.816 CV 1 ASSI { 2316} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.600 1.600 1.600 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.76924E-03 ppm1 2.585 ppm2 5.171 CV 1 ASSI { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD2%) 3.700 1.700 1.700 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.76824E-03 ppm1 4.328 ppm2 0.719 CV 1 OR { 2317} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HD1%) ASSI { 2320} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.800 1.000 1.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.76760E-03 ppm1 4.657 ppm2 2.002 CV 1 ASSI { 2325} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.500 1.500 1.500 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.76587E-03 ppm1 2.283 ppm2 4.679 CV 1 ASSI { 2327} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 117 and name HB3 )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.76559E-03 ppm1 4.426 ppm2 1.405 CV 1 ASSI { 2348} (( segid " " and resid 109 and name HA )) ( segid " " and resid 119 and name HD1%) 4.300 2.300 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.76206E-03 ppm1 4.646 ppm2 0.752 CV 1 ASSI { 2386} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.75459E-03 ppm1 4.349 ppm2 4.575 CV 1 ASSI { 2421} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 152 and name HG2%) 3.400 1.500 1.500 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.74568E-03 ppm1 2.886 ppm2 0.652 CV 1 ASSI { 2430} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HA2 )) 3.600 1.600 1.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.74492E-03 ppm1 4.348 ppm2 4.102 CV 1 ASSI { 2431} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HG )) 3.700 1.700 1.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.74488E-03 ppm1 4.102 ppm2 1.432 CV 1 ASSI { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD2 )) 4.800 2.800 1.200 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.74231E-03 ppm1 1.912 ppm2 3.608 CV 1 OR { 2440} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 111 and name HD3 )) ASSI { 2443} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.600 2.600 3.400 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.74027E-03 ppm1 0.713 ppm2 0.491 CV 1 ASSI { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB2 )) 4.400 2.400 1.600 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.74015E-03 ppm1 5.859 ppm2 1.740 CV 1 OR { 2444} (( segid " " and resid 146 and name HA )) (( segid " " and resid 137 and name HB3 )) ASSI { 2463} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 129 and name HN )) 2.700 2.700 3.300 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.73288E-03 ppm1 0.754 ppm2 7.493 CV 1 ASSI { 2483} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.72891E-03 ppm1 1.807 ppm2 1.446 CV 1 ASSI { 2487} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HG2 )) 3.000 1.100 1.100 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.72831E-03 ppm1 0.633 ppm2 0.036 CV 1 ASSI { 2489} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB3 )) 3.600 1.600 1.600 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.72746E-03 ppm1 0.049 ppm2 1.184 CV 1 ASSI { 2497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG3 )) 3.500 3.500 2.500 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.72638E-03 ppm1 1.270 ppm2 1.969 CV 1 OR { 2497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 104 and name HG2 )) OR { 2497} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 104 and name HG2 )) ASSI { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HG2 )) 3.700 1.700 1.700 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.72297E-03 ppm1 0.740 ppm2 1.968 CV 1 OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB2 )) OR { 2504} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HB3 )) ASSI { 2521} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 107 and name HD% ) 3.400 1.400 1.400 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.71940E-03 ppm1 2.896 ppm2 6.903 CV 1 ASSI { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB3 )) 4.100 2.100 1.900 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.71920E-03 ppm1 4.326 ppm2 1.497 CV 1 OR { 2524} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 2529} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.500 1.500 1.500 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.71779E-03 ppm1 1.694 ppm2 4.534 CV 1 ASSI { 2546} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 150 and name HB3 )) 5.100 3.200 0.900 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.71402E-03 ppm1 0.657 ppm2 2.614 CV 1 ASSI { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB2 )) 3.600 1.600 1.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.71402E-03 ppm1 3.917 ppm2 1.300 CV 1 OR { 2547} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 110 and name HB3 )) OR { 2547} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HB3 )) ASSI { 2585} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.70298E-03 ppm1 2.456 ppm2 5.172 CV 1 ASSI { 2600} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG2%) 3.800 1.800 1.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.69901E-03 ppm1 2.006 ppm2 0.713 CV 1 ASSI { 2612} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HD% ) 3.900 1.900 1.900 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.69451E-03 ppm1 4.371 ppm2 7.026 CV 1 ASSI { 2618} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 111 and name HA )) 3.400 1.500 1.500 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.69247E-03 ppm1 0.787 ppm2 4.368 CV 1 ASSI { 2631} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HG2%) 4.100 2.100 1.900 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.68789E-03 ppm1 4.769 ppm2 0.752 CV 1 ASSI { 2633} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG )) 3.400 1.400 1.400 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.68769E-03 ppm1 4.658 ppm2 1.838 CV 1 ASSI { 2661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 152 and name HB )) 3.300 1.400 1.400 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.68231E-03 ppm1 3.743 ppm2 1.796 CV 1 ASSI { 2673} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HB2 )) 2.500 0.800 0.800 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.68059E-03 ppm1 2.004 ppm2 1.614 CV 1 ASSI { 2688} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 3.600 3.600 2.400 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.67649E-03 ppm1 2.554 ppm2 2.200 CV 1 ASSI { 2713} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 147 and name HD% ) 2.000 2.000 4.000 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.99259E-02 ppm1 1.934 ppm2 6.844 CV 1 ASSI { 2729} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 125 and name HA )) 4.200 2.200 1.800 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.66602E-03 ppm1 0.789 ppm2 4.269 CV 1 ASSI { 2738} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HE22)) 4.200 2.200 1.800 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.66333E-03 ppm1 4.371 ppm2 6.743 CV 1 ASSI { 2748} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HG12)) 3.100 1.200 1.200 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.66160E-03 ppm1 1.805 ppm2 1.279 CV 1 ASSI { 2763} (( segid " " and resid 152 and name HA )) ( segid " " and resid 119 and name HD1%) 4.300 2.300 1.700 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.65891E-03 ppm1 5.042 ppm2 0.762 CV 1 ASSI { 2781} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HG )) 4.600 2.700 1.400 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.65578E-03 ppm1 2.975 ppm2 1.427 CV 1 ASSI { 2786} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 117 and name HG )) 4.800 2.800 1.200 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.65538E-03 ppm1 3.813 ppm2 1.474 CV 1 ASSI { 2792} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.65438E-03 ppm1 5.013 ppm2 2.975 CV 1 ASSI { 2794} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 122 and name HA1 )) 3.400 1.400 1.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.65402E-03 ppm1 1.988 ppm2 3.401 CV 1 OR { 2794} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 122 and name HA1 )) ASSI { 2801} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HE3 )) 3.500 1.500 1.500 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.65225E-03 ppm1 4.781 ppm2 6.977 CV 1 ASSI { 2818} (( segid " " and resid 152 and name HB )) (( segid " " and resid 103 and name HB2 )) 4.600 2.700 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.64852E-03 ppm1 1.805 ppm2 2.603 CV 1 ASSI { 2829} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 124 and name HG12)) 3.100 1.200 1.200 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.64439E-03 ppm1 1.749 ppm2 1.096 CV 1 ASSI { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB3 )) 4.200 2.200 1.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.64077E-03 ppm1 2.249 ppm2 1.741 CV 1 OR { 2842} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 137 and name HB2 )) ASSI { 2869} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 105 and name HB )) 4.200 2.200 1.800 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.63423E-03 ppm1 2.331 ppm2 2.155 CV 1 ASSI { 2885} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.63235E-03 ppm1 2.435 ppm2 5.164 CV 1 ASSI { 2905} (( segid " " and resid 163 and name HA1 )) (( segid " " and resid 164 and name HB )) 4.100 2.100 1.900 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.62942E-03 ppm1 3.822 ppm2 1.781 CV 1 OR { 2905} (( segid " " and resid 163 and name HA2 )) (( segid " " and resid 164 and name HB )) ASSI { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE3 )) 4.200 2.200 1.800 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.62304E-03 ppm1 1.686 ppm2 2.801 CV 1 OR { 2934} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE2 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE3 )) OR { 2934} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE2 )) ASSI { 2943} (( segid " " and resid 139 and name HB )) ( segid " " and resid 144 and name HG2%) 3.300 1.400 1.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.62127E-03 ppm1 1.858 ppm2 1.091 CV 1 ASSI { 2947} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.300 1.300 1.300 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.62051E-03 ppm1 1.162 ppm2 0.398 CV 1 ASSI { 2956} ( segid " " and resid 127 and name HG1%) ( segid " " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.61790E-03 ppm1 1.133 ppm2 -0.191 CV 1 ASSI { 2959} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HE% ) 4.200 2.200 1.800 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.61702E-03 ppm1 4.371 ppm2 6.868 CV 1 ASSI { 2962} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 145 and name HA1 )) 4.800 2.800 1.200 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.61621E-03 ppm1 0.690 ppm2 3.811 CV 1 ASSI { 2964} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 103 and name HB2 )) 4.000 2.000 2.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.61597E-03 ppm1 0.729 ppm2 2.600 CV 1 ASSI { 2994} (( segid " " and resid 110 and name HA )) (( segid " " and resid 118 and name HG3 )) 3.200 1.300 1.300 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.60786E-03 ppm1 4.661 ppm2 2.465 CV 1 ASSI { 2995} (( segid " " and resid 147 and name HB2 )) ( segid " " and resid 119 and name HD1%) 3.800 1.800 1.800 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.60786E-03 ppm1 2.676 ppm2 0.752 CV 1 ASSI { 3004} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 144 and name HG2%) 4.200 2.200 1.800 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.60634E-03 ppm1 4.425 ppm2 1.095 CV 1 ASSI { 3007} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 3.400 1.400 1.400 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.60626E-03 ppm1 2.474 ppm2 5.855 CV 1 ASSI { 3018} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 152 and name HG2%) 4.000 2.000 2.000 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.60494E-03 ppm1 3.721 ppm2 0.652 CV 1 ASSI { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD2 )) 3.600 1.700 1.700 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.60413E-03 ppm1 1.468 ppm2 3.607 CV 1 OR { 3025} (( segid " " and resid 117 and name HG )) (( segid " " and resid 111 and name HD3 )) ASSI { 3030} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.60305E-03 ppm1 2.254 ppm2 2.649 CV 1 ASSI { 3039} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HG13)) 3.100 1.200 1.200 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.60176E-03 ppm1 5.083 ppm2 1.433 CV 1 ASSI { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB3 )) 3.700 1.700 1.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.59896E-03 ppm1 0.713 ppm2 3.903 CV 1 OR { 3062} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 108 and name HB2 )) ASSI { 3066} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 109 and name HB3 )) 4.200 2.200 1.800 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 0.452 ppm2 2.869 CV 1 ASSI { 3078} ( segid " " and resid 127 and name HG2%) (( segid " " and resid 136 and name HZ3 )) 3.900 1.900 1.900 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.59651E-03 ppm1 0.753 ppm2 7.120 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 154 and name HG2 )) 3.800 1.800 1.800 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.59534E-03 ppm1 1.992 ppm2 2.317 CV 1 OR { 3085} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 3088} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 119 and name HA )) 4.100 2.100 1.900 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.59502E-03 ppm1 -0.191 ppm2 4.653 CV 1 ASSI { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HG2 )) 2.500 0.800 0.800 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.10006E-01 ppm1 5.343 ppm2 1.937 CV 1 OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB3 )) OR { 3101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 126 and name HB2 )) ASSI { 3126} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HB3 )) 1.800 0.400 0.400 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 1.910 ppm2 2.080 CV 1 ASSI { 3130} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 2.200 0.600 0.600 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.98476E-02 ppm1 2.323 ppm2 4.327 CV 1 OR { 3130} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) ASSI { 3142} ( segid " " and resid 128 and name HG1%) ( segid " " and resid 128 and name HG2%) 2.300 0.600 0.600 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 0.840 ppm2 0.753 CV 1 ASSI { 3156} (( segid " " and resid 110 and name HG )) (( segid " " and resid 109 and name HA )) 2.800 1.000 1.000 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.465 ppm2 4.664 CV 1 ASSI { 3161} (( segid " " and resid 152 and name HG13)) (( segid " " and resid 154 and name HA )) 2.500 2.500 3.500 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.451 ppm2 4.344 CV 1 ASSI { 3167} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 119 and name HD1%) 2.100 0.500 0.500 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.616 ppm2 0.751 CV 1 ASSI { 3169} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 105 and name HG2%) 1.800 0.400 0.400 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.617 ppm2 0.713 CV 1 ASSI { 3172} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB3 )) 2.500 2.500 3.500 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 2.004 ppm2 2.846 CV 1 ASSI { 3173} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 2.000 ppm2 2.479 CV 1 ASSI { 3175} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 105 and name HG1%) 1.700 0.400 0.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 2.003 ppm2 0.865 CV 1 ASSI { 3176} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 119 and name HD2%) 1.800 0.400 0.400 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 2.001 ppm2 0.449 CV 1 ASSI { 3179} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 2.000 2.000 4.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.616 ppm2 2.858 CV 1 ASSI { 3180} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.200 0.600 0.600 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.615 ppm2 4.653 CV 1 ASSI { 3183} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB3 )) 1.400 0.300 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.837 ppm2 2.866 CV 1 ASSI { 3184} (( segid " " and resid 119 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.500 0.800 0.800 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.837 ppm2 2.477 CV 1 ASSI { 3185} (( segid " " and resid 119 and name HG )) (( segid " " and resid 119 and name HB3 )) 1.900 1.900 4.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.838 ppm2 1.992 CV 1 ASSI { 3186} (( segid " " and resid 119 and name HG )) ( segid " " and resid 105 and name HG1%) 2.500 2.500 3.500 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 1.837 ppm2 0.859 CV 1 ASSI { 3190} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 109 and name HD% ) 2.200 0.600 0.600 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 0.449 ppm2 7.033 CV 1 ASSI { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HG )) 2.200 0.600 0.600 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 0.714 ppm2 1.494 CV 1 OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HG )) OR { 3193} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 155 and name HB2 )) OR { 3193} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB3 )) ASSI { 3194} ( segid " " and resid 155 and name HD2%) ( segid " " and resid 152 and name HD1%) 1.700 1.700 4.300 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 0.714 ppm2 0.714 CV 1 OR { 3194} ( segid " " and resid 155 and name HD1%) ( segid " " and resid 152 and name HD1%) ASSI { 3196} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HA )) 1.900 0.500 0.500 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.121 ppm2 4.817 CV 1 ASSI { 3198} (( segid " " and resid 124 and name HG12)) (( segid " " and resid 124 and name HG13)) 1.900 0.400 0.400 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.122 ppm2 1.565 CV 1 ASSI { 3201} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HA )) 2.400 0.700 0.700 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.563 ppm2 4.818 CV 1 ASSI { 3202} (( segid " " and resid 124 and name HG13)) (( segid " " and resid 124 and name HB )) 2.100 0.500 0.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.565 ppm2 1.767 CV 1 ASSI { 3205} (( segid " " and resid 124 and name HG13)) ( segid " " and resid 124 and name HD1%) 2.200 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.564 ppm2 0.722 CV 1 ASSI { 3207} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HG13)) 2.200 0.600 0.600 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 0.657 ppm2 1.438 CV 1 ASSI { 3216} (( segid " " and resid 152 and name HG12)) (( segid " " and resid 152 and name HG13)) 1.700 0.400 0.500 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.278 ppm2 1.427 CV 1 ASSI { 3218} (( segid " " and resid 152 and name HG12)) ( segid " " and resid 152 and name HG2%) 1.900 0.400 0.400 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.278 ppm2 0.655 CV 1 ASSI { 3223} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.300 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 2.204 ppm2 5.172 CV 1 ASSI { 3224} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 102 and name HA )) 2.400 0.700 0.700 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 2.197 ppm2 5.342 CV 1 ASSI { 3225} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 102 and name HA )) 2.200 2.200 3.800 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 1.958 ppm2 5.342 CV 1 ASSI { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE2 )) 2.300 2.300 3.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.98777E-02 ppm1 4.551 ppm2 2.800 CV 1 OR { 3226} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HE3 )) ASSI { 3227} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) 2.000 0.500 0.500 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.98797E-02 ppm1 2.324 ppm2 1.913 CV 1 OR { 3227} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3229} (( segid " " and resid 136 and name HB3 )) ( segid " " and resid 147 and name HD% ) 2.800 2.800 3.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.99259E-02 ppm1 2.868 ppm2 6.844 CV 1 ASSI { 3233} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HG12)) 2.300 2.300 3.700 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.99259E-02 ppm1 2.973 ppm2 1.286 CV 1 ASSI { 3234} (( segid " " and resid 149 and name HA )) ( segid " " and resid 147 and name HD% ) 2.200 2.200 3.800 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.99259E-02 ppm1 2.971 ppm2 6.839 CV 1 ASSI { 1} (( segid " " and resid 136 and name HZ2 )) ( segid " " and resid 155 and name HD1%) 2.400 2.400 3.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.69219E-02 ppm1 7.381 ppm2 0.721 CV 1 ASSI { 17} ( segid " " and resid 151 and name HE% ) ( segid " " and resid 151 and name HD% ) 2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15608E-01 ppm1 7.284 ppm2 7.029 CV 1 ASSI { 18} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 136 and name HZ3 )) 2.600 2.600 3.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.15548E-01 ppm1 7.231 ppm2 7.165 CV 1 ASSI { 21} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB3 )) 2.700 2.700 3.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.68797E-02 ppm1 7.085 ppm2 1.736 CV 1 ASSI { 32} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 107 and name HD% ) 2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.65976E-02 ppm1 7.135 ppm2 6.934 CV 1 ASSI { 50} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 136 and name HZ2 )) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 7.145 ppm2 7.384 CV 1 ASSI { 52} ( segid " " and resid 109 and name HE% ) ( segid " " and resid 109 and name HD% ) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.26410E-02 ppm1 6.897 ppm2 7.063 CV 1 ASSI { 92} (( segid " " and resid 135 and name HE3 )) (( segid " " and resid 135 and name HD1 )) 3.200 3.200 2.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.15825E-02 ppm1 6.480 ppm2 7.019 CV 1 ASSI { 99} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB3 )) 2.200 2.200 3.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.68797E-02 ppm1 7.086 ppm2 2.906 CV 1 ASSI { 105} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 6.937 ppm2 4.706 CV 1 ASSI { 109} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB2 )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 7.030 ppm2 2.909 CV 1 ASSI { 111} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 109 and name HE% ) 3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.12938E-02 ppm1 7.240 ppm2 6.882 CV 1 ASSI { 119} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11760E-02 ppm1 7.062 ppm2 4.689 CV 1 ASSI { 135} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.98536E-03 ppm1 7.065 ppm2 2.505 CV 1 ASSI { 145} ( segid " " and resid 151 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.700 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.93379E-03 ppm1 7.030 ppm2 0.756 CV 1 ASSI { 147} (( segid " " and resid 136 and name HE3 )) (( segid " " and resid 136 and name HZ3 )) 2.900 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.91116E-03 ppm1 6.957 ppm2 7.126 CV 1 ASSI { 151} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HA )) 3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.87708E-03 ppm1 7.028 ppm2 4.703 CV 1 ASSI { 155} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HA )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.86444E-03 ppm1 6.936 ppm2 4.571 CV 1 ASSI { 156} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 103 and name HB2 )) 2.400 2.400 3.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.69219E-02 ppm1 7.136 ppm2 2.646 CV 1 ASSI { 157} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 109 and name HB3 )) 3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.85019E-03 ppm1 7.066 ppm2 2.885 CV 1 ASSI { 166} (( segid " " and resid 136 and name HZ2 )) (( segid " " and resid 136 and name HE3 )) 3.400 3.400 2.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.77281E-03 ppm1 7.395 ppm2 6.995 CV 1 ASSI { 178} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 147 and name HB2 )) 3.200 1.300 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.73071E-03 ppm1 6.841 ppm2 2.662 CV 1 ASSI { 186} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HA )) 2.600 2.600 3.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.69933E-03 ppm1 7.285 ppm2 4.694 CV 1 ASSI { 188} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 151 and name HA )) 3.700 1.700 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.69471E-03 ppm1 7.137 ppm2 4.700 CV 1 ASSI { 197} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 119 and name HD1%) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.66590E-03 ppm1 7.064 ppm2 0.772 CV 1 ASSI { 217} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 106 and name HB% ) 2.700 2.700 3.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.61067E-03 ppm1 7.140 ppm2 0.867 CV 1 ASSI { 230} ( segid " " and resid 151 and name HE% ) (( segid " " and resid 151 and name HB3 )) 4.200 2.200 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.57516E-03 ppm1 7.281 ppm2 3.738 CV 1 ASSI { 239} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 151 and name HB3 )) 3.500 1.600 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.56613E-03 ppm1 7.029 ppm2 3.753 CV 1 ASSI { 258} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB2 )) 4.400 2.400 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.53498E-03 ppm1 7.130 ppm2 2.297 CV 1 ASSI { 266} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 107 and name HB2 )) 3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.52354E-03 ppm1 7.028 ppm2 2.310 CV 1 ASSI { 290} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 132 and name HB2 )) 3.900 1.900 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.50011E-03 ppm1 7.058 ppm2 2.036 CV 1 ASSI { 297} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 4.400 2.400 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.49686E-03 ppm1 8.749 ppm2 7.101 CV 1 ASSI { 308} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 4.500 2.500 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.48750E-03 ppm1 8.161 ppm2 8.059 CV 1 ASSI { 315} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 109 and name HB2 )) 3.500 1.500 1.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.47623E-03 ppm1 7.030 ppm2 2.509 CV 1 ASSI { 318} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB3 )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.47165E-03 ppm1 7.057 ppm2 2.853 CV 1 ASSI { 357} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 130 and name HB2 )) 4.300 2.300 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.44292E-03 ppm1 7.082 ppm2 1.520 CV 1 ASSI { 371} (( segid " " and resid 136 and name HZ3 )) (( segid " " and resid 147 and name HB2 )) 4.400 2.400 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.43786E-03 ppm1 7.137 ppm2 2.648 CV 1 ASSI { 376} (( segid " " and resid 136 and name HZ3 )) ( segid " " and resid 152 and name HD1%) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.69219E-02 ppm1 7.143 ppm2 0.714 CV 1 ASSI { 411} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 117 and name HD1%) 3.200 3.200 2.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.41410E-03 ppm1 7.237 ppm2 0.679 CV 1 OR { 411} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 117 and name HD2%) ASSI { 414} ( segid " " and resid 151 and name HD% ) (( segid " " and resid 150 and name HB3 )) 3.500 1.500 1.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.41330E-03 ppm1 7.027 ppm2 2.648 CV 1 ASSI { 421} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HB3 )) 4.600 2.600 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.40989E-03 ppm1 7.105 ppm2 2.900 CV 1 ASSI { 436} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 152 and name HG12)) 3.500 1.600 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.40110E-03 ppm1 6.841 ppm2 1.272 CV 1 ASSI { 440} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 134 and name HA2 )) 2.300 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 7.052 ppm2 3.957 CV 1 ASSI { 442} ( segid " " and resid 107 and name HD% ) (( segid " " and resid 107 and name HB2 )) 2.300 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 6.937 ppm2 2.301 CV 1 ASSI { 445} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HA )) 2.700 2.700 3.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 7.137 ppm2 4.569 CV 1 ASSI { 449} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 147 and name HE% ) 2.100 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 6.845 ppm2 7.241 CV 1 ASSI { 450} ( segid " " and resid 147 and name HD% ) ( segid " " and resid 119 and name HD2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 6.843 ppm2 0.457 CV 1 ASSI { 452} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.700 2.700 3.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.68019E-02 ppm1 6.896 ppm2 2.004 CV 1
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