NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
497466 | 2kv4 | 16768 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
ASSI { 10} (( segid " " and resid 31 and name HN )) (( segid " " and resid 20 and name HA )) 1.700 1.700 4.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42832E-01 ppm1 8.741 ppm2 4.947 CV 1 ASSI { 14} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 1.900 1.900 4.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.38698E-01 ppm1 7.658 ppm2 8.567 CV 1 ASSI { 24} (( segid " " and resid 44 and name HN )) (( segid " " and resid 39 and name HA1 )) 2.000 2.000 4.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.27697E-01 ppm1 8.582 ppm2 4.827 CV 1 ASSI { 31} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) 2.200 2.200 3.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.22080E-01 ppm1 8.473 ppm2 4.067 CV 1 ASSI { 35} (( segid " " and resid 16 and name HN )) (( segid " " and resid 33 and name HN )) 2.100 2.100 3.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.19349E-01 ppm1 8.507 ppm2 8.735 CV 1 ASSI { 40} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 1.900 0.400 0.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17008E-01 ppm1 8.584 ppm2 4.128 CV 1 ASSI { 42} (( segid " " and resid 38 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.300 2.300 3.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.16306E-01 ppm1 9.148 ppm2 2.983 CV 1 ASSI { 46} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 1.900 0.400 0.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.15526E-01 ppm1 8.620 ppm2 5.065 CV 1 ASSI { 49} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG2 )) 1.800 0.400 0.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.12562E-01 ppm1 7.392 ppm2 1.187 CV 1 ASSI { 50} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 2.100 2.100 3.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12249E-01 ppm1 8.507 ppm2 3.782 CV 1 ASSI { 53} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.000 0.500 0.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11781E-01 ppm1 8.199 ppm2 4.505 CV 1 ASSI { 58} (( segid " " and resid 34 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.300 2.300 3.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.92845E-02 ppm1 8.581 ppm2 2.760 CV 1 ASSI { 71} (( segid " " and resid 16 and name HN )) (( segid " " and resid 33 and name HA )) 2.300 2.300 3.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.74355E-02 ppm1 8.506 ppm2 4.646 CV 1 ASSI { 74} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG2 )) 2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.65071E-02 ppm1 8.267 ppm2 2.224 CV 1 ASSI { 76} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.60156E-02 ppm1 8.581 ppm2 3.854 CV 1 ASSI { 77} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG12)) 2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.59920E-02 ppm1 8.266 ppm2 1.199 CV 1 ASSI { 84} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.50791E-02 ppm1 9.237 ppm2 2.318 CV 1 ASSI { 85} (( segid " " and resid 3 and name HN )) (( segid " " and resid 24 and name HG2 )) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.49620E-02 ppm1 8.201 ppm2 2.198 CV 1 ASSI { 90} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.43067E-02 ppm1 7.335 ppm2 4.132 CV 1 ASSI { 93} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.300 0.600 0.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.41742E-02 ppm1 8.508 ppm2 2.176 CV 1 ASSI { 95} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.000 3.000 3.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.41272E-02 ppm1 6.351 ppm2 2.222 CV 1 ASSI { 96} (( segid " " and resid 18 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 3.000 3.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.40883E-02 ppm1 7.140 ppm2 4.918 CV 1 ASSI { 97} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.300 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.39869E-02 ppm1 7.334 ppm2 1.401 CV 1 ASSI { 99} (( segid " " and resid 46 and name HN )) (( segid " " and resid 51 and name HG2 )) 2.200 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.37294E-02 ppm1 8.203 ppm2 2.005 CV 1 ASSI { 100} (( segid " " and resid 44 and name HN )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.37138E-02 ppm1 8.582 ppm2 7.932 CV 1 ASSI { 105} (( segid " " and resid 26 and name HN )) (( segid " " and resid 28 and name HG2 )) 2.600 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34173E-02 ppm1 6.347 ppm2 1.137 CV 1 ASSI { 110} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.30272E-02 ppm1 8.653 ppm2 2.463 CV 1 ASSI { 112} (( segid " " and resid 48 and name HN )) (( segid " " and resid 35 and name HB )) 3.300 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 8.046 ppm2 1.465 CV 1 ASSI { 114} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.29024E-02 ppm1 8.507 ppm2 4.180 CV 1 ASSI { 120} (( segid " " and resid 50 and name HN )) (( segid " " and resid 35 and name HB )) 2.800 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 7.360 ppm2 1.452 CV 1 ASSI { 132} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) 2.400 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.24420E-02 ppm1 6.649 ppm2 1.095 CV 1 ASSI { 134} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.900 2.900 3.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24031E-02 ppm1 7.140 ppm2 2.171 CV 1 ASSI { 137} (( segid " " and resid 29 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.900 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.23406E-02 ppm1 8.423 ppm2 2.465 CV 1 ASSI { 139} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.23328E-02 ppm1 7.139 ppm2 4.105 CV 1 ASSI { 145} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.000 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22002E-02 ppm1 7.139 ppm2 2.763 CV 1 ASSI { 146} (( segid " " and resid 53 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 2.800 3.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.21924E-02 ppm1 7.334 ppm2 3.866 CV 1 ASSI { 147} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.21534E-02 ppm1 8.651 ppm2 1.860 CV 1 ASSI { 149} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG )) 2.600 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.20910E-02 ppm1 8.102 ppm2 1.546 CV 1 OR { 149} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 153} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 7.678 ppm2 6.314 CV 1 ASSI { 160} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) 3.500 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.19739E-02 ppm1 8.420 ppm2 1.085 CV 1 ASSI { 161} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.000 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.19583E-02 ppm1 8.649 ppm2 2.761 CV 1 ASSI { 162} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.19583E-02 ppm1 7.647 ppm2 4.062 CV 1 ASSI { 165} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.900 2.900 3.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.19427E-02 ppm1 7.912 ppm2 2.591 CV 1 ASSI { 169} (( segid " " and resid 31 and name HN )) (( segid " " and resid 38 and name HG12)) 2.900 2.900 3.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 8.745 ppm2 1.235 CV 1 ASSI { 172} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.300 1.400 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 7.139 ppm2 2.483 CV 1 ASSI { 177} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG2 )) 2.900 1.100 1.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.17555E-02 ppm1 7.678 ppm2 1.128 CV 1 ASSI { 178} (( segid " " and resid 44 and name HN )) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 8.583 ppm2 9.152 CV 1 ASSI { 179} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 8.323 ppm2 2.452 CV 1 ASSI { 181} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 8.045 ppm2 3.920 CV 1 ASSI { 186} (( segid " " and resid 33 and name HN )) (( segid " " and resid 48 and name HE2 )) 2.800 2.800 3.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 8.775 ppm2 2.556 CV 1 ASSI { 188} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 7.357 ppm2 2.925 CV 1 ASSI { 189} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB )) 3.800 1.800 1.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 8.050 ppm2 1.420 CV 1 ASSI { 196} (( segid " " and resid 53 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.200 2.200 3.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15916E-02 ppm1 7.335 ppm2 1.185 CV 1 ASSI { 207} (( segid " " and resid 38 and name HN )) (( segid " " and resid 48 and name HE2 )) 3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.15136E-02 ppm1 9.148 ppm2 2.542 CV 1 ASSI { 208} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.14824E-02 ppm1 7.139 ppm2 8.638 CV 1 ASSI { 209} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB )) 3.100 1.200 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.14824E-02 ppm1 7.667 ppm2 1.418 CV 1 ASSI { 217} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.900 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.14278E-02 ppm1 6.651 ppm2 3.815 CV 1 ASSI { 218} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.900 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.14278E-02 ppm1 8.740 ppm2 5.101 CV 1 ASSI { 219} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.300 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.14200E-02 ppm1 7.909 ppm2 8.844 CV 1 ASSI { 220} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB )) 3.400 3.400 2.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.14200E-02 ppm1 8.049 ppm2 1.996 CV 1 ASSI { 224} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 7.908 ppm2 1.917 CV 1 ASSI { 236} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.13420E-02 ppm1 7.679 ppm2 1.391 CV 1 ASSI { 241} (( segid " " and resid 22 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.000 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 8.652 ppm2 1.535 CV 1 ASSI { 242} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.13186E-02 ppm1 7.909 ppm2 9.143 CV 1 ASSI { 244} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.400 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 8.046 ppm2 1.171 CV 1 ASSI { 245} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.800 3.800 2.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 7.678 ppm2 2.224 CV 1 ASSI { 246} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.900 1.900 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.12951E-02 ppm1 9.340 ppm2 2.423 CV 1 ASSI { 253} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.400 1.500 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 8.137 ppm2 2.549 CV 1 ASSI { 257} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 8.510 ppm2 2.467 CV 1 ASSI { 258} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 3.000 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 7.360 ppm2 3.948 CV 1 ASSI { 262} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 9.617 ppm2 3.853 CV 1 ASSI { 263} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 8.276 ppm2 3.218 CV 1 ASSI { 264} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.12171E-02 ppm1 9.374 ppm2 2.842 CV 1 ASSI { 267} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 3.600 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 6.650 ppm2 8.428 CV 1 ASSI { 268} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA1 )) 3.300 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 8.052 ppm2 3.709 CV 1 ASSI { 269} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.800 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 7.647 ppm2 3.830 CV 1 ASSI { 273} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.11469E-02 ppm1 7.915 ppm2 3.848 CV 1 ASSI { 278} (( segid " " and resid 19 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.800 1.800 1.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.11313E-02 ppm1 7.911 ppm2 2.831 CV 1 ASSI { 279} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 3.600 1.600 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11313E-02 ppm1 6.651 ppm2 4.263 CV 1 ASSI { 281} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 6.650 ppm2 8.278 CV 1 ASSI { 284} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HN )) 2.500 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 7.908 ppm2 7.651 CV 1 ASSI { 287} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.600 1.700 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 8.647 ppm2 1.292 CV 1 ASSI { 289} (( segid " " and resid 30 and name HN )) (( segid " " and resid 22 and name HA )) 3.300 1.400 1.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.10767E-02 ppm1 9.205 ppm2 4.345 CV 1 ASSI { 291} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HD2 )) 3.000 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 7.646 ppm2 2.693 CV 1 ASSI { 293} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10611E-02 ppm1 8.660 ppm2 2.213 CV 1 ASSI { 294} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 6.651 ppm2 2.972 CV 1 ASSI { 299} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.300 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 7.877 ppm2 1.435 CV 1 ASSI { 304} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HA1 )) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 7.878 ppm2 3.721 CV 1 ASSI { 305} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 9.377 ppm2 4.904 CV 1 ASSI { 306} (( segid " " and resid 3 and name HN )) (( segid " " and resid 23 and name HG12)) 3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 8.171 ppm2 1.267 CV 1 ASSI { 309} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.400 1.400 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 9.236 ppm2 1.877 CV 1 ASSI { 312} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 8.855 ppm2 4.918 CV 1 ASSI { 313} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 7.647 ppm2 2.065 CV 1 ASSI { 314} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.300 1.400 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 9.616 ppm2 1.645 CV 1 ASSI { 316} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.300 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 8.745 ppm2 2.655 CV 1 ASSI { 318} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 2.900 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.99867E-03 ppm1 7.680 ppm2 6.645 CV 1 ASSI { 319} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.99085E-03 ppm1 7.678 ppm2 2.966 CV 1 ASSI { 322} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.100 2.100 1.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.99085E-03 ppm1 7.646 ppm2 2.988 CV 1 ASSI { 323} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.98307E-03 ppm1 7.909 ppm2 3.812 CV 1 ASSI { 325} (( segid " " and resid 43 and name HN )) (( segid " " and resid 38 and name HG12)) 3.800 1.800 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.96747E-03 ppm1 9.616 ppm2 1.246 CV 1 ASSI { 328} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.95965E-03 ppm1 6.650 ppm2 4.524 CV 1 ASSI { 331} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 4.000 2.000 2.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.95965E-03 ppm1 8.618 ppm2 1.354 CV 1 ASSI { 333} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 3.600 1.600 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.95187E-03 ppm1 9.146 ppm2 1.254 CV 1 ASSI { 334} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.95187E-03 ppm1 8.263 ppm2 3.899 CV 1 ASSI { 335} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.95187E-03 ppm1 8.079 ppm2 3.353 CV 1 ASSI { 336} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.600 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.93627E-03 ppm1 7.914 ppm2 2.134 CV 1 ASSI { 340} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.92845E-03 ppm1 8.267 ppm2 2.458 CV 1 ASSI { 343} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 2.900 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.92063E-03 ppm1 9.145 ppm2 1.945 CV 1 ASSI { 344} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB )) 3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.92063E-03 ppm1 7.666 ppm2 1.990 CV 1 ASSI { 346} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 3.300 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.91285E-03 ppm1 7.906 ppm2 1.247 CV 1 ASSI { 348} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.90503E-03 ppm1 8.653 ppm2 4.345 CV 1 ASSI { 349} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.300 1.400 1.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.89725E-03 ppm1 8.047 ppm2 3.151 CV 1 ASSI { 350} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.400 3.400 2.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.88943E-03 ppm1 9.374 ppm2 3.177 CV 1 ASSI { 352} (( segid " " and resid 19 and name HN )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.88165E-03 ppm1 7.906 ppm2 9.372 CV 1 ASSI { 354} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.700 1.700 1.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.87383E-03 ppm1 7.614 ppm2 2.476 CV 1 ASSI { 361} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.85044E-03 ppm1 9.238 ppm2 4.940 CV 1 ASSI { 362} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HG2 )) 2.500 2.500 3.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.85044E-03 ppm1 7.647 ppm2 2.421 CV 1 ASSI { 363} (( segid " " and resid 46 and name HN )) (( segid " " and resid 37 and name HA )) 3.200 3.200 2.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.85044E-03 ppm1 8.171 ppm2 5.285 CV 1 ASSI { 365} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 3.400 1.400 1.400 peak 365 spectrum 1 weight 0.10000E+01 volume 0.84262E-03 ppm1 6.339 ppm2 3.214 CV 1 ASSI { 366} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HA )) 4.100 2.100 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.84262E-03 ppm1 8.326 ppm2 3.827 CV 1 ASSI { 368} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 3.600 1.700 1.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.84262E-03 ppm1 9.617 ppm2 7.640 CV 1 ASSI { 369} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.84262E-03 ppm1 8.507 ppm2 7.617 CV 1 ASSI { 370} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.900 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.83484E-03 ppm1 8.776 ppm2 3.154 CV 1 ASSI { 371} (( segid " " and resid 44 and name HN )) (( segid " " and resid 48 and name HE2 )) 4.000 2.000 2.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.83484E-03 ppm1 8.618 ppm2 2.519 CV 1 ASSI { 376} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.80360E-03 ppm1 8.327 ppm2 4.647 CV 1 ASSI { 378} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.100 2.100 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.80360E-03 ppm1 7.916 ppm2 2.480 CV 1 ASSI { 379} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HG12)) 3.600 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.79582E-03 ppm1 7.646 ppm2 1.242 CV 1 ASSI { 382} (( segid " " and resid 33 and name HN )) (( segid " " and resid 18 and name HA1 )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.78800E-03 ppm1 8.775 ppm2 4.177 CV 1 ASSI { 383} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.000 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.78800E-03 ppm1 8.659 ppm2 6.315 CV 1 ASSI { 389} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.75368E-03 ppm1 8.646 ppm2 7.909 CV 1 ASSI { 390} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.75291E-03 ppm1 6.650 ppm2 2.220 CV 1 ASSI { 396} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.500 2.500 3.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.73418E-03 ppm1 7.572 ppm2 2.974 CV 1 ASSI { 398} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.72405E-03 ppm1 7.879 ppm2 3.928 CV 1 ASSI { 400} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 3.200 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.72247E-03 ppm1 8.050 ppm2 9.150 CV 1 ASSI { 401} (( segid " " and resid 30 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.300 3.300 2.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.70764E-03 ppm1 9.204 ppm2 1.863 CV 1 ASSI { 402} (( segid " " and resid 38 and name HN )) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.70298E-03 ppm1 9.145 ppm2 4.133 CV 1 ASSI { 403} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.800 1.800 1.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.69593E-03 ppm1 7.140 ppm2 1.307 CV 1 ASSI { 404} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB )) 3.900 1.900 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.69204E-03 ppm1 8.852 ppm2 1.864 CV 1 ASSI { 405} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 3.200 1.300 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.68815E-03 ppm1 8.484 ppm2 7.617 CV 1 ASSI { 407} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.200 2.200 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.68345E-03 ppm1 8.774 ppm2 2.836 CV 1 ASSI { 408} (( segid " " and resid 32 and name HN )) (( segid " " and resid 19 and name HB )) 3.200 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.67956E-03 ppm1 9.377 ppm2 1.871 CV 1 ASSI { 412} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG2 )) 4.000 2.000 2.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.67721E-03 ppm1 7.395 ppm2 2.009 CV 1 ASSI { 413} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 3.400 1.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.67178E-03 ppm1 7.907 ppm2 9.358 CV 1 ASSI { 415} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.66943E-03 ppm1 7.648 ppm2 8.320 CV 1 ASSI { 416} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.500 1.600 1.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.66866E-03 ppm1 8.485 ppm2 2.495 CV 1 ASSI { 417} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.66396E-03 ppm1 8.653 ppm2 8.275 CV 1 ASSI { 419} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.66007E-03 ppm1 8.771 ppm2 8.572 CV 1 ASSI { 420} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 3.600 1.600 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.65849E-03 ppm1 8.428 ppm2 9.205 CV 1 ASSI { 422} (( segid " " and resid 17 and name HN )) (( segid " " and resid 33 and name HA )) 4.000 2.000 2.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.65614E-03 ppm1 8.652 ppm2 4.633 CV 1 ASSI { 424} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.500 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.65383E-03 ppm1 8.581 ppm2 9.620 CV 1 ASSI { 425} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 4.300 2.300 1.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.65071E-03 ppm1 7.903 ppm2 7.147 CV 1 ASSI { 426} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) 4.300 2.300 1.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.65071E-03 ppm1 6.352 ppm2 2.968 CV 1 ASSI { 427} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 4.200 2.300 1.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.65071E-03 ppm1 8.049 ppm2 3.342 CV 1 ASSI { 428} (( segid " " and resid 44 and name HN )) (( segid " " and resid 38 and name HG12)) 4.200 2.300 1.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.64836E-03 ppm1 8.617 ppm2 1.255 CV 1 ASSI { 429} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HN )) 4.400 2.400 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.64836E-03 ppm1 9.615 ppm2 8.336 CV 1 ASSI { 432} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 5.000 3.100 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.64054E-03 ppm1 7.645 ppm2 8.568 CV 1 ASSI { 434} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HA )) 4.100 2.100 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.63665E-03 ppm1 9.329 ppm2 3.818 CV 1 ASSI { 435} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 3.300 1.400 1.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.63588E-03 ppm1 7.394 ppm2 8.058 CV 1 ASSI { 437} (( segid " " and resid 3 and name HN )) (( segid " " and resid 22 and name HA )) 3.500 3.500 2.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.63511E-03 ppm1 8.201 ppm2 4.308 CV 1 ASSI { 438} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HA )) 3.900 1.900 1.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.63430E-03 ppm1 8.653 ppm2 3.854 CV 1 ASSI { 439} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.300 1.400 1.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.63430E-03 ppm1 9.242 ppm2 4.776 CV 1 ASSI { 447} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.300 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.60622E-03 ppm1 8.428 ppm2 4.963 CV 1 ASSI { 453} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HN )) 3.700 1.700 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.59296E-03 ppm1 7.676 ppm2 8.274 CV 1 ASSI { 454} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.59219E-03 ppm1 6.350 ppm2 1.835 CV 1 ASSI { 455} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.400 1.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.59138E-03 ppm1 7.646 ppm2 4.654 CV 1 ASSI { 459} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.58749E-03 ppm1 8.327 ppm2 4.033 CV 1 ASSI { 464} (( segid " " and resid 26 and name HN )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.57890E-03 ppm1 6.346 ppm2 6.650 CV 1 ASSI { 466} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB )) 3.800 1.800 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.56488E-03 ppm1 8.078 ppm2 1.419 CV 1 ASSI { 468} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HG2 )) 3.800 1.800 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.55941E-03 ppm1 8.053 ppm2 1.996 CV 1 ASSI { 469} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 3.300 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.55240E-03 ppm1 8.660 ppm2 8.280 CV 1 ASSI { 474} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.500 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.54146E-03 ppm1 8.050 ppm2 1.825 CV 1 ASSI { 475} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.200 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.53992E-03 ppm1 8.047 ppm2 5.275 CV 1 ASSI { 476} (( segid " " and resid 33 and name HN )) (( segid " " and resid 19 and name HB )) 2.700 2.700 3.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.53834E-03 ppm1 8.773 ppm2 1.884 CV 1 ASSI { 479} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.53210E-03 ppm1 9.613 ppm2 3.003 CV 1 ASSI { 480} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.400 1.400 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.53210E-03 ppm1 8.774 ppm2 4.633 CV 1 ASSI { 488} (( segid " " and resid 17 and name HN )) (( segid " " and resid 34 and name HB )) 3.800 1.800 1.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.50791E-03 ppm1 8.650 ppm2 1.979 CV 1 ASSI { 493} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.49308E-03 ppm1 8.772 ppm2 9.375 CV 1 ASSI { 497} (( segid " " and resid 39 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.000 2.000 2.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.48996E-03 ppm1 7.906 ppm2 2.994 CV 1 ASSI { 498} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 3.400 1.500 1.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.48372E-03 ppm1 8.649 ppm2 8.480 CV 1 ASSI { 499} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB2 )) 4.400 2.400 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.47047E-03 ppm1 7.649 ppm2 1.651 CV 1 ASSI { 501} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA1 )) 4.300 2.300 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.46893E-03 ppm1 7.655 ppm2 4.837 CV 1 ASSI { 502} (( segid " " and resid 15 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.46734E-03 ppm1 7.916 ppm2 3.307 CV 1 ASSI { 505} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 4.100 2.100 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.46268E-03 ppm1 9.204 ppm2 8.715 CV 1 ASSI { 508} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.45174E-03 ppm1 8.105 ppm2 3.968 CV 1 ASSI { 511} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HA )) 3.800 1.800 1.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.44862E-03 ppm1 6.655 ppm2 4.965 CV 1 ASSI { 514} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 1.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.43768E-03 ppm1 8.046 ppm2 4.406 CV 1 ASSI { 515} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HA )) 4.200 2.200 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.42990E-03 ppm1 7.678 ppm2 4.560 CV 1 ASSI { 517} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HA )) 4.500 2.500 1.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.42755E-03 ppm1 9.143 ppm2 3.817 CV 1 ASSI { 518} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.41977E-03 ppm1 8.650 ppm2 2.164 CV 1 ASSI { 519} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.41896E-03 ppm1 8.659 ppm2 3.218 CV 1 ASSI { 523} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 4.100 2.100 1.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.41665E-03 ppm1 8.744 ppm2 9.366 CV 1 ASSI { 524} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 3.600 1.600 1.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.40025E-03 ppm1 7.877 ppm2 8.247 CV 1 ASSI { 525} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.39791E-03 ppm1 7.682 ppm2 8.664 CV 1 ASSI { 528} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.800 2.800 3.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.39713E-03 ppm1 7.576 ppm2 1.187 CV 1 ASSI { 529} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.400 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.39479E-03 ppm1 7.879 ppm2 2.002 CV 1 ASSI { 534} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA1 )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.37216E-03 ppm1 8.080 ppm2 3.707 CV 1 ASSI { 540} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 4.400 2.400 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.36670E-03 ppm1 8.859 ppm2 9.225 CV 1 ASSI { 545} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HD2 )) 3.700 1.700 1.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.35032E-03 ppm1 8.326 ppm2 2.674 CV 1 ASSI { 546} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34641E-03 ppm1 9.614 ppm2 7.917 CV 1 ASSI { 548} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.34251E-03 ppm1 6.651 ppm2 1.837 CV 1 ASSI { 550} (( segid " " and resid 18 and name HN )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.33783E-03 ppm1 7.137 ppm2 4.625 CV 1 ASSI { 551} (( segid " " and resid 37 and name HN )) (( segid " " and resid 45 and name HA )) 4.000 2.000 2.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.33783E-03 ppm1 8.053 ppm2 4.139 CV 1 ASSI { 552} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HG12)) 3.800 1.800 1.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.33549E-03 ppm1 8.651 ppm2 1.230 CV 1 ASSI { 558} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA )) 4.700 2.800 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.30975E-03 ppm1 8.657 ppm2 4.247 CV 1 ASSI { 560} (( segid " " and resid 28 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.200 2.200 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.28790E-03 ppm1 6.655 ppm2 2.470 CV 1 ASSI { 561} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB2 )) 5.000 3.200 1.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.28244E-03 ppm1 8.046 ppm2 2.954 CV 1 ASSI { 564} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HA1 )) 4.500 2.500 1.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.27932E-03 ppm1 9.617 ppm2 4.818 CV 1 ASSI { 565} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 3.000 3.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.27697E-03 ppm1 6.652 ppm2 3.208 CV 1 ASSI { 568} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.100 2.100 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.25747E-03 ppm1 7.650 ppm2 3.326 CV 1 ASSI { 570} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.800 2.900 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.25747E-03 ppm1 7.911 ppm2 3.372 CV 1 ASSI { 571} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HN )) 3.800 1.800 1.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25201E-03 ppm1 6.349 ppm2 8.280 CV 1 ASSI { 575} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HN )) 3.900 2.000 2.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.23250E-03 ppm1 8.325 ppm2 7.902 CV 1 ASSI { 577} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 3.200 2.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.17633E-03 ppm1 9.615 ppm2 4.648 CV 1 ASSI { 584} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 6.000 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.18803E-05 ppm1 7.138 ppm2 3.725 CV 1 ASSI { 585} (( segid " " and resid 16 and name HN )) (( segid " " and resid 34 and name HB )) 6.000 6.000 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.12483E-05 ppm1 8.476 ppm2 1.992 CV 1 ASSI { 17} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) 2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.16205E-01 ppm1 3.897 ppm2 1.427 CV 1 ASSI { 22} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.000 2.000 4.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14260E-01 ppm1 3.827 ppm2 7.624 CV 1 ASSI { 23} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name HG2 )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13435E-01 ppm1 2.099 ppm2 2.423 CV 1 ASSI { 25} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.500 2.500 3.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12374E-01 ppm1 2.099 ppm2 4.065 CV 1 ASSI { 27} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 2.000 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10783E-01 ppm1 4.974 ppm2 9.203 CV 1 ASSI { 29} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.300 2.300 3.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10665E-01 ppm1 1.443 ppm2 3.982 CV 1 ASSI { 40} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.200 2.200 3.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.88387E-02 ppm1 1.846 ppm2 4.017 CV 1 ASSI { 41} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.200 2.200 3.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.87800E-02 ppm1 2.596 ppm2 8.448 CV 1 ASSI { 43} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HG2 )) 2.600 2.600 3.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.86621E-02 ppm1 3.843 ppm2 1.159 CV 1 ASSI { 47} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 2.200 0.600 0.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.81904E-02 ppm1 3.725 ppm2 8.651 CV 1 ASSI { 52} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 2.500 2.500 3.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.77783E-02 ppm1 3.863 ppm2 8.476 CV 1 ASSI { 55} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.200 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.71299E-02 ppm1 3.827 ppm2 2.839 CV 1 ASSI { 63} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG2 )) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.63049E-02 ppm1 2.072 ppm2 2.422 CV 1 ASSI { 68} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 28 and name HG2 )) 2.000 0.500 0.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.60694E-02 ppm1 1.403 ppm2 1.107 CV 1 ASSI { 73} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.58219E-02 ppm1 4.777 ppm2 1.907 CV 1 ASSI { 75} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.400 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.56508E-02 ppm1 4.180 ppm2 2.485 CV 1 ASSI { 76} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.300 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.56038E-02 ppm1 4.558 ppm2 8.216 CV 1 ASSI { 77} (( segid " " and resid 35 and name HB )) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.55508E-02 ppm1 1.443 ppm2 7.392 CV 1 ASSI { 80} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.53445E-02 ppm1 4.148 ppm2 1.401 CV 1 ASSI { 82} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.300 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.52679E-02 ppm1 4.342 ppm2 2.485 CV 1 ASSI { 85} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.52148E-02 ppm1 3.725 ppm2 8.476 CV 1 ASSI { 86} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.52092E-02 ppm1 2.596 ppm2 4.976 CV 1 ASSI { 91} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.100 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.48201E-02 ppm1 1.280 ppm2 8.499 CV 1 ASSI { 93} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG2 )) 2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.46609E-02 ppm1 1.535 ppm2 1.113 CV 1 ASSI { 96} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.45312E-02 ppm1 4.338 ppm2 8.274 CV 1 ASSI { 98} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.45077E-02 ppm1 4.558 ppm2 8.135 CV 1 ASSI { 99} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name HN )) 3.000 3.000 3.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.44781E-02 ppm1 2.102 ppm2 9.338 CV 1 ASSI { 104} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.300 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.43545E-02 ppm1 3.820 ppm2 7.680 CV 1 ASSI { 105} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.43367E-02 ppm1 2.363 ppm2 1.361 CV 1 ASSI { 106} (( segid " " and resid 35 and name HB )) (( segid " " and resid 48 and name HA )) 3.100 3.100 2.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.43075E-02 ppm1 1.436 ppm2 3.883 CV 1 ASSI { 110} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.500 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.42192E-02 ppm1 4.340 ppm2 2.853 CV 1 ASSI { 112} (( segid " " and resid 38 and name HA )) (( segid " " and resid 42 and name HA )) 1.600 0.300 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.41779E-02 ppm1 4.708 ppm2 3.843 CV 1 ASSI { 114} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 41 and name HB2 )) 2.400 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.41426E-02 ppm1 1.159 ppm2 2.099 CV 1 ASSI { 116} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.41304E-02 ppm1 4.149 ppm2 1.416 CV 1 ASSI { 120} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.40717E-02 ppm1 4.730 ppm2 9.200 CV 1 ASSI { 121} (( segid " " and resid 16 and name HA )) (( segid " " and resid 34 and name HB )) 2.700 2.700 3.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.40481E-02 ppm1 3.726 ppm2 1.996 CV 1 ASSI { 124} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.39008E-02 ppm1 4.261 ppm2 1.307 CV 1 ASSI { 125} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HG2 )) 2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.38713E-02 ppm1 1.525 ppm2 1.110 CV 1 ASSI { 127} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.38419E-02 ppm1 2.955 ppm2 7.392 CV 1 ASSI { 129} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.36887E-02 ppm1 3.998 ppm2 2.959 CV 1 ASSI { 131} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.500 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.36651E-02 ppm1 3.925 ppm2 3.039 CV 1 ASSI { 136} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.35355E-02 ppm1 2.351 ppm2 1.902 CV 1 ASSI { 137} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.35355E-02 ppm1 4.001 ppm2 7.393 CV 1 ASSI { 138} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.300 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.35355E-02 ppm1 4.898 ppm2 8.767 CV 1 ASSI { 140} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.34884E-02 ppm1 3.929 ppm2 7.661 CV 1 ASSI { 141} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 42 and name HA )) 3.300 3.300 2.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.34471E-02 ppm1 4.831 ppm2 3.827 CV 1 ASSI { 142} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.34412E-02 ppm1 4.076 ppm2 8.663 CV 1 ASSI { 143} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.34294E-02 ppm1 1.586 ppm2 8.102 CV 1 ASSI { 144} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.700 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 4.338 ppm2 3.126 CV 1 ASSI { 149} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 5.103 ppm2 9.381 CV 1 ASSI { 150} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.30111E-02 ppm1 3.862 ppm2 8.642 CV 1 ASSI { 156} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.29521E-02 ppm1 3.866 ppm2 8.291 CV 1 ASSI { 157} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.29463E-02 ppm1 4.730 ppm2 8.753 CV 1 ASSI { 163} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.27636E-02 ppm1 2.839 ppm2 7.622 CV 1 ASSI { 164} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 4.776 ppm2 8.647 CV 1 ASSI { 168} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.26693E-02 ppm1 1.403 ppm2 7.392 CV 1 ASSI { 169} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 9 and name HN )) 3.100 3.100 2.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 2.570 ppm2 7.867 CV 1 ASSI { 173} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.200 0.600 0.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25868E-02 ppm1 3.338 ppm2 3.841 CV 1 ASSI { 174} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.25809E-02 ppm1 4.148 ppm2 8.174 CV 1 ASSI { 177} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 2.600 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25338E-02 ppm1 4.184 ppm2 8.868 CV 1 ASSI { 180} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HN )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.24689E-02 ppm1 2.539 ppm2 8.211 CV 1 ASSI { 181} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24513E-02 ppm1 4.065 ppm2 2.072 CV 1 ASSI { 182} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.300 1.400 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.23864E-02 ppm1 1.208 ppm2 3.890 CV 1 ASSI { 183} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 1.283 ppm2 1.939 CV 1 ASSI { 185} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.300 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.23570E-02 ppm1 4.708 ppm2 7.910 CV 1 ASSI { 187} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.23217E-02 ppm1 4.529 ppm2 8.439 CV 1 ASSI { 188} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 2.797 ppm2 4.065 CV 1 ASSI { 190} (( segid " " and resid 12 and name HA1 )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.21920E-02 ppm1 3.729 ppm2 8.477 CV 1 ASSI { 191} (( segid " " and resid 10 and name HA )) (( segid " " and resid 9 and name HN )) 3.400 1.400 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.21861E-02 ppm1 4.342 ppm2 7.870 CV 1 ASSI { 193} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 3.000 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.21566E-02 ppm1 2.104 ppm2 8.333 CV 1 ASSI { 194} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 2.988 ppm2 3.827 CV 1 ASSI { 199} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.900 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 2.072 ppm2 9.329 CV 1 ASSI { 201} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB )) 2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.20683E-02 ppm1 3.929 ppm2 2.011 CV 1 ASSI { 207} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.20152E-02 ppm1 1.868 ppm2 3.236 CV 1 ASSI { 213} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 4.417 ppm2 8.102 CV 1 ASSI { 217} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.18797E-02 ppm1 3.726 ppm2 2.157 CV 1 ASSI { 221} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 1.281 ppm2 7.915 CV 1 ASSI { 223} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.18267E-02 ppm1 2.958 ppm2 3.925 CV 1 ASSI { 225} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17972E-02 ppm1 1.846 ppm2 7.576 CV 1 ASSI { 228} (( segid " " and resid 47 and name HG )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 1.579 ppm2 8.102 CV 1 ASSI { 229} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 3.300 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 1.362 ppm2 4.148 CV 1 ASSI { 230} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 2.600 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.17560E-02 ppm1 5.289 ppm2 9.145 CV 1 ASSI { 232} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.000 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 4.180 ppm2 7.913 CV 1 ASSI { 234} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.600 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 1.867 ppm2 8.291 CV 1 ASSI { 244} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16440E-02 ppm1 4.311 ppm2 8.247 CV 1 ASSI { 249} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HB2 )) 3.100 3.100 2.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 4.340 ppm2 1.851 CV 1 ASSI { 250} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 1.374 ppm2 7.912 CV 1 ASSI { 253} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15144E-02 ppm1 3.095 ppm2 8.868 CV 1 ASSI { 254} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.15026E-02 ppm1 1.846 ppm2 7.394 CV 1 ASSI { 255} (( segid " " and resid 29 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.900 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.15026E-02 ppm1 4.977 ppm2 2.474 CV 1 ASSI { 263} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 3.100 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 4.529 ppm2 1.536 CV 1 OR { 263} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HD2 )) ASSI { 272} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 4.619 ppm2 8.562 CV 1 ASSI { 273} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12964E-02 ppm1 1.535 ppm2 6.657 CV 1 ASSI { 274} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12904E-02 ppm1 4.896 ppm2 2.865 CV 1 ASSI { 275} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 4.311 ppm2 1.988 CV 1 ASSI { 277} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HG2 )) 3.200 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.12492E-02 ppm1 4.340 ppm2 2.206 CV 1 ASSI { 281} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 3.000 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.12374E-02 ppm1 4.264 ppm2 7.686 CV 1 ASSI { 283} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 4.708 ppm2 1.939 CV 1 ASSI { 286} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 29 and name HB2 )) 2.300 2.300 3.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 2.099 ppm2 2.607 CV 1 ASSI { 289} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.11608E-02 ppm1 2.020 ppm2 7.577 CV 1 ASSI { 290} (( segid " " and resid 18 and name HA1 )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 4.166 ppm2 7.903 CV 1 ASSI { 293} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 3.355 ppm2 7.665 CV 1 ASSI { 295} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 5.289 ppm2 2.835 CV 1 ASSI { 296} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HB )) 3.900 1.900 1.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11313E-02 ppm1 3.929 ppm2 1.434 CV 1 ASSI { 297} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.200 1.300 1.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11255E-02 ppm1 3.926 ppm2 7.577 CV 1 ASSI { 299} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HA )) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 2.020 ppm2 4.018 CV 1 ASSI { 306} (( segid " " and resid 19 and name HB )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 1.887 ppm2 7.908 CV 1 ASSI { 308} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HN )) 3.000 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 2.005 ppm2 8.560 CV 1 ASSI { 309} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.10606E-02 ppm1 1.427 ppm2 8.247 CV 1 ASSI { 311} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 19 and name HB )) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 2.862 ppm2 1.884 CV 1 ASSI { 313} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10371E-02 ppm1 4.185 ppm2 7.906 CV 1 ASSI { 316} (( segid " " and resid 12 and name HA1 )) (( segid " " and resid 13 and name HN )) 3.500 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 3.729 ppm2 7.625 CV 1 ASSI { 318} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 5.076 ppm2 3.017 CV 1 ASSI { 333} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB )) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.96638E-03 ppm1 3.358 ppm2 1.434 CV 1 ASSI { 337} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 3.000 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.94871E-03 ppm1 4.264 ppm2 6.363 CV 1 ASSI { 338} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) 3.000 1.100 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.94279E-03 ppm1 3.929 ppm2 8.558 CV 1 ASSI { 339} (( segid " " and resid 26 and name HA )) (( segid " " and resid 28 and name HG2 )) 3.700 1.700 1.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.94279E-03 ppm1 4.261 ppm2 1.098 CV 1 ASSI { 346} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 346 spectrum 1 weight 0.10000E+01 volume 0.93100E-03 ppm1 4.618 ppm2 3.165 CV 1 ASSI { 349} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG2 )) 3.100 1.200 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.92513E-03 ppm1 3.238 ppm2 2.202 CV 1 ASSI { 352} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG2 )) 3.100 1.200 1.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.91333E-03 ppm1 4.529 ppm2 1.110 CV 1 ASSI { 356} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 3.400 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.89567E-03 ppm1 1.403 ppm2 4.261 CV 1 ASSI { 360} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.87208E-03 ppm1 1.283 ppm2 8.765 CV 1 ASSI { 363} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.84262E-03 ppm1 2.835 ppm2 9.149 CV 1 ASSI { 374} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB )) 3.300 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.78958E-03 ppm1 4.182 ppm2 1.886 CV 1 ASSI { 377} (( segid " " and resid 45 and name HA )) (( segid " " and resid 37 and name HA )) 3.400 1.400 1.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.78370E-03 ppm1 4.149 ppm2 5.286 CV 1 ASSI { 379} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) 3.300 1.300 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.76012E-03 ppm1 4.557 ppm2 2.591 CV 1 ASSI { 380} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.76012E-03 ppm1 4.708 ppm2 9.148 CV 1 ASSI { 383} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 3.300 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.73658E-03 ppm1 4.675 ppm2 2.095 CV 1 ASSI { 389} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 3.300 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.71887E-03 ppm1 4.936 ppm2 3.136 CV 1 ASSI { 393} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 3.200 1.300 1.300 peak 393 spectrum 1 weight 0.10000E+01 volume 0.70712E-03 ppm1 4.067 ppm2 9.337 CV 1 ASSI { 396} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HA )) 3.600 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.70120E-03 ppm1 1.197 ppm2 3.891 CV 1 ASSI { 397} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HN )) 4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.70120E-03 ppm1 3.240 ppm2 7.691 CV 1 ASSI { 409} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG2 )) 3.800 1.800 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.65407E-03 ppm1 4.065 ppm2 2.426 CV 1 ASSI { 412} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.900 1.100 1.100 peak 412 spectrum 1 weight 0.10000E+01 volume 0.63049E-03 ppm1 1.403 ppm2 6.366 CV 1 ASSI { 422} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 3.000 1.200 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.57218E-03 ppm1 3.927 ppm2 9.632 CV 1 ASSI { 429} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HA )) 3.400 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.55625E-03 ppm1 1.613 ppm2 3.867 CV 1 ASSI { 430} (( segid " " and resid 18 and name HA1 )) (( segid " " and resid 18 and name HN )) 3.200 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.55447E-03 ppm1 4.167 ppm2 7.136 CV 1 ASSI { 431} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HA )) 3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.55155E-03 ppm1 3.929 ppm2 3.356 CV 1 ASSI { 434} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.54742E-03 ppm1 3.168 ppm2 8.562 CV 1 ASSI { 435} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 3.200 1.200 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.54563E-03 ppm1 4.827 ppm2 7.922 CV 1 ASSI { 450} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 41 and name HD2 )) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.41953E-03 ppm1 1.159 ppm2 2.698 CV 1 ASSI { 453} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 4.200 2.200 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.40599E-03 ppm1 1.535 ppm2 8.452 CV 1 ASSI { 454} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 42 and name HN )) 4.600 2.700 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.40187E-03 ppm1 2.835 ppm2 7.631 CV 1 ASSI { 464} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25868E-03 ppm1 4.342 ppm2 2.570 CV 1 ASSI { 471} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 3.700 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.19917E-03 ppm1 4.831 ppm2 9.340 CV 1 ASSI { 486} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HN )) 4.300 2.300 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.11373E-03 ppm1 1.586 ppm2 8.046 CV 1 ASSI { 493} (( segid " " and resid 23 and name HB )) (( segid " " and resid 28 and name HN )) 6.000 4.800 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.29816E-04 ppm1 1.610 ppm2 6.657 CV 1 ASSI { 494} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG )) 6.000 4.700 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.22274E-04 ppm1 3.897 ppm2 1.577 CV 1 ASSI { 498} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 14 and name HN )) 6.000 6.000 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.12256E-04 ppm1 2.834 ppm2 8.512 CV 1 ASSI { 504} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 6.000 6.000 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.33116E-05 ppm1 1.586 ppm2 3.982 CV 1 ASSI { 505} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 6.000 6.000 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.30052E-05 ppm1 1.867 ppm2 8.661 CV 1
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