NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
23033 | 2jsw | 15411 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 13} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name HG12)) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 0.670 ppm2 1.000 CV 1 OR { 13} ( segid " " and resid 2345 and name HD1%) ( segid " " and resid 2424 and name HD2%) ASSI { 26} (( segid " " and resid 2303 and name HA )) ( segid " " and resid 2303 and name HG2%) 3.100 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 4.005 ppm2 1.106 CV 1 OR { 26} (( segid " " and resid 2444 and name HA )) ( segid " " and resid 2444 and name HG1%) ASSI { 38} (( segid " " and resid 2303 and name HA )) (( segid " " and resid 2303 and name HB )) 3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22840E-02 ppm1 4.007 ppm2 2.295 CV 1 OR { 38} (( segid " " and resid 2444 and name HA )) (( segid " " and resid 2444 and name HB )) ASSI { 51} (( segid " " and resid 2360 and name HB )) ( segid " " and resid 2316 and name HD1%) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.58120E-03 ppm1 2.216 ppm2 0.856 CV 1 OR { 51} (( segid " " and resid 2360 and name HB )) ( segid " " and resid 2309 and name HD2%) ASSI { 54} ( segid " " and resid 2444 and name HG1%) (( segid " " and resid 2444 and name HA )) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 1.092 ppm2 4.026 CV 1 OR { 54} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2371 and name HA )) ASSI { 56} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2303 and name HA )) 3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.082 ppm2 3.969 CV 1 OR { 56} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2415 and name HA )) ASSI { 61} (( segid " " and resid 2304 and name HB )) (( segid " " and resid 2304 and name HG12)) 4.100 2.100 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 2.019 ppm2 1.573 CV 1 OR { 61} (( segid " " and resid 2425 and name HB )) ( segid " " and resid 2474 and name HB% ) ASSI { 62} (( segid " " and resid 2425 and name HB )) (( segid " " and resid 2422 and name HA )) 3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 2.013 ppm2 4.088 CV 1 OR { 62} (( segid " " and resid 2425 and name HB )) (( segid " " and resid 2426 and name HB2 )) ASSI { 78} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name HG12)) 3.200 1.300 1.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 1.013 ppm2 1.590 CV 1 OR { 78} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2379 and name HG13)) ASSI { 85} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name H )) 4.300 2.300 1.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.76476E-03 ppm1 1.017 ppm2 7.706 CV 1 OR { 85} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2382 and name HD21)) ASSI { 101} (( segid " " and resid 2320 and name HA )) (( segid " " and resid 2321 and name H )) 3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 4.011 ppm2 8.113 CV 1 OR { 101} (( segid " " and resid 2411 and name HA )) (( segid " " and resid 2414 and name H )) ASSI { 105} (( segid " " and resid 2411 and name HA )) ( segid " " and resid 2411 and name HB% ) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 4.010 ppm2 1.381 CV 1 OR { 105} (( segid " " and resid 2320 and name HA )) ( segid " " and resid 2353 and name HB% ) ASSI { 108} ( segid " " and resid 2349 and name HB% ) ( segid " " and resid 2345 and name HG2%) 3.500 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 1.477 ppm2 0.850 CV 1 OR { 108} ( segid " " and resid 2397 and name HB% ) ( segid " " and resid 2309 and name HD2%) ASSI { 109} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2305 and name HA )) 2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.25491E-02 ppm1 1.468 ppm2 4.011 CV 1 OR { 109} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2346 and name HA )) ASSI { 111} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2452 and name HA )) 2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.68626E-02 ppm1 1.468 ppm2 4.152 CV 1 OR { 111} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2366 and name HA )) ASSI { 120} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name HB2 )) 2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.76677E-02 ppm1 2.410 ppm2 2.247 CV 1 OR { 120} (( segid " " and resid 2306 and name HG3 )) (( segid " " and resid 2306 and name HB3 )) OR { 120} (( segid " " and resid 2306 and name HG2 )) (( segid " " and resid 2306 and name HB3 )) OR { 120} (( segid " " and resid 2306 and name HG3 )) (( segid " " and resid 2306 and name HB2 )) ASSI { 121} (( segid " " and resid 2422 and name HG3 )) (( segid " " and resid 2422 and name HA )) 2.900 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 2.412 ppm2 4.114 CV 1 OR { 121} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name HA )) OR { 121} (( segid " " and resid 2422 and name HG2 )) (( segid " " and resid 2422 and name HA )) ASSI { 124} (( segid " " and resid 2469 and name HA )) (( segid " " and resid 2469 and name HB2 )) 3.100 1.200 1.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 4.573 ppm2 2.917 CV 1 OR { 124} (( segid " " and resid 2461 and name HA )) (( segid " " and resid 2461 and name HB2 )) OR { 124} (( segid " " and resid 2307 and name HA )) (( segid " " and resid 2307 and name HB2 )) ASSI { 133} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2340 and name H )) 3.600 1.600 1.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 3.042 ppm2 8.594 CV 1 OR { 133} (( segid " " and resid 2340 and name HB2 )) (( segid " " and resid 2340 and name H )) OR { 133} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2308 and name H )) ASSI { 136} (( segid " " and resid 2340 and name HB2 )) (( segid " " and resid 2340 and name HD21)) 3.900 1.900 1.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 3.048 ppm2 6.911 CV 1 OR { 136} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2340 and name HD21)) OR { 136} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2307 and name HD22)) ASSI { 145} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name HB3 )) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 4.238 ppm2 2.040 CV 1 OR { 145} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name HB2 )) OR { 145} (( segid " " and resid 2443 and name HA )) (( segid " " and resid 2443 and name HB2 )) ASSI { 146} (( segid " " and resid 2308 and name HA )) (( segid " " and resid 2308 and name HG2 )) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 4.244 ppm2 2.324 CV 1 OR { 146} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2369 and name HG3 )) ASSI { 147} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2369 and name HG2 )) 3.000 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 4.245 ppm2 2.485 CV 1 OR { 147} (( segid " " and resid 2308 and name HA )) (( segid " " and resid 2308 and name HG3 )) ASSI { 150} (( segid " " and resid 2308 and name HA )) (( segid " " and resid 2311 and name H )) 3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 4.244 ppm2 8.349 CV 1 OR { 150} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2372 and name H )) ASSI { 151} (( segid " " and resid 2409 and name HA )) (( segid " " and resid 2409 and name H )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 4.227 ppm2 8.333 CV 1 OR { 151} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2372 and name H )) ASSI { 155} (( segid " " and resid 2316 and name HG12)) ( segid " " and resid 2316 and name HD1%) 3.600 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 2.087 ppm2 0.856 CV 1 OR { 155} (( segid " " and resid 2308 and name HB3 )) ( segid " " and resid 2394 and name HG2%) ASSI { 156} (( segid " " and resid 2316 and name HG12)) (( segid " " and resid 2401 and name HA )) 3.500 1.600 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.74433E-03 ppm1 2.084 ppm2 4.073 CV 1 OR { 156} (( segid " " and resid 2398 and name HB3 )) (( segid " " and resid 2398 and name HA )) OR { 156} (( segid " " and resid 2398 and name HB2 )) (( segid " " and resid 2398 and name HA )) OR { 156} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name HA )) ASSI { 157} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name H )) 3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.58120E-03 ppm1 2.083 ppm2 8.080 CV 1 OR { 157} (( segid " " and resid 2398 and name HB2 )) (( segid " " and resid 2399 and name H )) ASSI { 159} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name HG3 )) 2.400 2.400 3.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 2.483 ppm2 2.329 CV 1 OR { 159} (( segid " " and resid 2308 and name HG3 )) (( segid " " and resid 2308 and name HG2 )) OR { 159} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name HG2 )) ASSI { 160} (( segid " " and resid 2308 and name HG2 )) (( segid " " and resid 2308 and name HB2 )) 2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 2.337 ppm2 2.166 CV 1 OR { 160} (( segid " " and resid 2317 and name HG2 )) (( segid " " and resid 2317 and name HB3 )) OR { 160} (( segid " " and resid 2317 and name HG2 )) (( segid " " and resid 2317 and name HB2 )) OR { 160} (( segid " " and resid 2343 and name HG2 )) (( segid " " and resid 2343 and name HB2 )) ASSI { 165} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2457 and name H )) 2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 4.020 ppm2 8.573 CV 1 OR { 165} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2309 and name H )) ASSI { 166} (( segid " " and resid 2456 and name HA )) (( segid " " and resid 2456 and name H )) 2.900 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 4.034 ppm2 8.202 CV 1 OR { 166} (( segid " " and resid 2438 and name HA )) (( segid " " and resid 2439 and name H )) ASSI { 167} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2392 and name H )) 3.500 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.98907E-03 ppm1 4.048 ppm2 8.107 CV 1 OR { 167} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2458 and name H )) OR { 167} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2312 and name H )) ASSI { 169} (( segid " " and resid 2456 and name HA )) (( segid " " and resid 2456 and name HB3 )) 3.200 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18456E-02 ppm1 4.033 ppm2 2.050 CV 1 OR { 169} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2309 and name HB2 )) ASSI { 171} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2457 and name HB3 )) 3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 4.039 ppm2 2.231 CV 1 OR { 171} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2391 and name HB3 )) OR { 171} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2391 and name HB2 )) OR { 171} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2457 and name HB2 )) ASSI { 172} (( segid " " and resid 2438 and name HA )) ( segid " " and resid 2396 and name HB% ) 2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 4.051 ppm2 1.509 CV 1 OR { 172} (( segid " " and resid 2438 and name HA )) (( segid " " and resid 2438 and name HB3 )) ASSI { 173} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2309 and name HB3 )) 2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 4.044 ppm2 1.560 CV 1 OR { 173} (( segid " " and resid 2309 and name HA )) ( segid " " and resid 2312 and name HB% ) ASSI { 174} (( segid " " and resid 2456 and name HA )) (( segid " " and resid 2456 and name HB2 )) 2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 4.029 ppm2 1.791 CV 1 OR { 174} (( segid " " and resid 2346 and name HA )) (( segid " " and resid 2346 and name HB2 )) ASSI { 175} (( segid " " and resid 2391 and name HA )) ( segid " " and resid 2394 and name HD1%) 3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 4.047 ppm2 0.855 CV 1 OR { 175} (( segid " " and resid 2309 and name HA )) ( segid " " and resid 2309 and name HD2%) ASSI { 185} (( segid " " and resid 2310 and name HB3 )) (( segid " " and resid 2311 and name H )) 3.400 1.400 1.400 peak 185 spectrum 1 weight 0.10000E+01 volume 0.32425E-02 ppm1 2.012 ppm2 8.339 CV 1 OR { 185} (( segid " " and resid 2310 and name HB3 )) (( segid " " and resid 2310 and name H )) ASSI { 187} (( segid " " and resid 2309 and name HB2 )) (( segid " " and resid 2309 and name HA )) 3.000 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 2.058 ppm2 4.063 CV 1 OR { 187} (( segid " " and resid 2309 and name HB2 )) (( segid " " and resid 2306 and name HA )) ASSI { 192} (( segid " " and resid 2424 and name HB3 )) ( segid " " and resid 2424 and name HD2%) 3.700 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 2.048 ppm2 1.040 CV 1 OR { 192} (( segid " " and resid 2456 and name HB3 )) ( segid " " and resid 2456 and name HD1%) ASSI { 199} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2309 and name HB3 )) 3.300 1.300 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 0.852 ppm2 1.569 CV 1 OR { 199} ( segid " " and resid 2309 and name HD1%) ( segid " " and resid 2363 and name HB% ) ASSI { 207} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2306 and name HA )) 2.900 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 0.851 ppm2 4.071 CV 1 OR { 207} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2364 and name HB2 )) ASSI { 209} (( segid " " and resid 2310 and name HA )) (( segid " " and resid 2310 and name H )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.32527E-02 ppm1 4.202 ppm2 8.339 CV 1 OR { 209} (( segid " " and resid 2310 and name HA )) (( segid " " and resid 2311 and name H )) ASSI { 210} (( segid " " and resid 2310 and name HA )) ( segid " " and resid 2313 and name HB% ) 2.700 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.47414E-02 ppm1 4.201 ppm2 1.640 CV 1 OR { 210} (( segid " " and resid 2310 and name HA )) (( segid " " and resid 2310 and name HB2 )) ASSI { 215} (( segid " " and resid 2310 and name HB2 )) (( segid " " and resid 2310 and name H )) 2.600 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 1.645 ppm2 8.341 CV 1 OR { 215} (( segid " " and resid 2310 and name HB2 )) (( segid " " and resid 2311 and name H )) ASSI { 220} (( segid " " and resid 2323 and name HG )) ( segid " " and resid 2323 and name HD2%) 3.300 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 1.953 ppm2 0.963 CV 1 OR { 220} (( segid " " and resid 2310 and name HG )) ( segid " " and resid 2310 and name HD1%) ASSI { 225} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2323 and name HA )) 3.700 1.700 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 1.014 ppm2 4.234 CV 1 OR { 225} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2363 and name HA )) ASSI { 227} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2359 and name HA )) 3.300 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 1.022 ppm2 4.015 CV 1 OR { 227} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2428 and name HA )) ASSI { 229} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2359 and name HG )) 3.500 3.500 2.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.76476E-03 ppm1 1.027 ppm2 1.639 CV 1 OR { 229} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name HB2 )) ASSI { 236} (( segid " " and resid 2311 and name HA2 )) ( segid " " and resid 2314 and name HB% ) 3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 3.989 ppm2 1.639 CV 1 OR { 236} (( segid " " and resid 2311 and name HA2 )) (( segid " " and resid 2310 and name HB2 )) ASSI { 240} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2392 and name H )) 3.000 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 4.058 ppm2 8.115 CV 1 OR { 240} (( segid " " and resid 2311 and name HA3 )) (( segid " " and resid 2312 and name H )) ASSI { 243} (( segid " " and resid 2441 and name HA )) (( segid " " and resid 2441 and name H )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.39971E-02 ppm1 4.349 ppm2 7.983 CV 1 OR { 243} (( segid " " and resid 2466 and name HA )) (( segid " " and resid 2466 and name H )) ASSI { 244} (( segid " " and resid 2348 and name HA )) (( segid " " and resid 2348 and name H )) 2.500 0.800 0.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.57611E-02 ppm1 4.358 ppm2 8.114 CV 1 OR { 244} (( segid " " and resid 2312 and name HA )) (( segid " " and resid 2312 and name H )) ASSI { 249} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2312 and name HA )) 2.800 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 1.560 ppm2 4.347 CV 1 OR { 249} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2407 and name HA )) ASSI { 250} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2312 and name HA )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 1.565 ppm2 4.317 CV 1 OR { 250} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2410 and name HA )) ASSI { 257} (( segid " " and resid 2313 and name HA )) (( segid " " and resid 2313 and name H )) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 4.087 ppm2 8.150 CV 1 OR { 257} (( segid " " and resid 2313 and name HA )) (( segid " " and resid 2316 and name H )) ASSI { 262} ( segid " " and resid 2459 and name HB% ) ( segid " " and resid 2359 and name HD1%) 3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 1.625 ppm2 1.027 CV 1 OR { 262} ( segid " " and resid 2362 and name HB% ) ( segid " " and resid 2456 and name HD2%) OR { 262} ( segid " " and resid 2459 and name HB% ) ( segid " " and resid 2456 and name HD2%) ASSI { 266} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2314 and name H )) 2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.59650E-02 ppm1 1.637 ppm2 8.210 CV 1 OR { 266} ( segid " " and resid 2458 and name HB% ) (( segid " " and resid 2459 and name H )) ASSI { 270} (( segid " " and resid 2403 and name HA )) (( segid " " and resid 2403 and name H )) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.53634E-02 ppm1 4.284 ppm2 8.694 CV 1 OR { 270} (( segid " " and resid 2402 and name HA )) (( segid " " and resid 2403 and name H )) ASSI { 271} (( segid " " and resid 2403 and name HA )) (( segid " " and resid 2403 and name H )) 3.500 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 4.258 ppm2 8.684 CV 1 OR { 271} (( segid " " and resid 2363 and name HA )) (( segid " " and resid 2363 and name H )) OR { 271} (( segid " " and resid 2402 and name HA )) (( segid " " and resid 2403 and name H )) ASSI { 273} (( segid " " and resid 2314 and name HA )) (( segid " " and resid 2314 and name H )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.32935E-02 ppm1 4.289 ppm2 8.228 CV 1 OR { 273} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2459 and name H )) ASSI { 274} (( segid " " and resid 2473 and name HA )) (( segid " " and resid 2473 and name H )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 4.261 ppm2 7.921 CV 1 OR { 274} (( segid " " and resid 2365 and name HA )) (( segid " " and resid 2365 and name H )) ASSI { 276} (( segid " " and resid 2403 and name HA )) (( segid " " and resid 2406 and name HB2 )) 3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 4.284 ppm2 3.073 CV 1 OR { 276} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2461 and name HB3 )) ASSI { 279} (( segid " " and resid 2372 and name HA )) ( segid " " and resid 2372 and name HB% ) 3.500 3.500 2.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.91767E-03 ppm1 4.285 ppm2 1.648 CV 1 OR { 279} (( segid " " and resid 2315 and name HA )) ( segid " " and resid 2315 and name HB% ) OR { 279} (( segid " " and resid 2458 and name HA )) ( segid " " and resid 2458 and name HB% ) OR { 279} (( segid " " and resid 2365 and name HA )) ( segid " " and resid 2365 and name HB% ) OR { 279} (( segid " " and resid 2314 and name HA )) ( segid " " and resid 2314 and name HB% ) ASSI { 280} (( segid " " and resid 2362 and name HA )) ( segid " " and resid 2362 and name HB% ) 2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.63627E-02 ppm1 4.316 ppm2 1.633 CV 1 OR { 280} (( segid " " and resid 2458 and name HA )) ( segid " " and resid 2458 and name HB% ) ASSI { 284} ( segid " " and resid 2459 and name HB% ) (( segid " " and resid 2359 and name HA )) 2.900 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.22840E-02 ppm1 1.625 ppm2 4.013 CV 1 OR { 284} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2359 and name HA )) OR { 284} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2456 and name HA )) ASSI { 286} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2401 and name H )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.40786E-02 ppm1 1.649 ppm2 8.361 CV 1 OR { 286} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2366 and name H )) ASSI { 289} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2436 and name H )) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.38645E-02 ppm1 1.655 ppm2 7.825 CV 1 OR { 289} ( segid " " and resid 2319 and name HB% ) (( segid " " and resid 2319 and name H )) ASSI { 294} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2315 and name HA )) 3.300 3.300 2.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 1.637 ppm2 4.291 CV 1 OR { 294} ( segid " " and resid 2458 and name HB% ) (( segid " " and resid 2458 and name HA )) OR { 294} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2365 and name HA )) OR { 294} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2314 and name HA )) OR { 294} ( segid " " and resid 2402 and name HB% ) (( segid " " and resid 2402 and name HA )) ASSI { 296} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2473 and name HA )) 3.000 3.000 3.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 1.572 ppm2 4.257 CV 1 OR { 296} ( segid " " and resid 2363 and name HB% ) (( segid " " and resid 2363 and name HA )) OR { 296} ( segid " " and resid 2403 and name HB% ) (( segid " " and resid 2403 and name HA )) ASSI { 298} ( segid " " and resid 2358 and name HB% ) (( segid " " and resid 2358 and name HA )) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.74641E-02 ppm1 1.651 ppm2 4.176 CV 1 OR { 298} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2436 and name HA )) ASSI { 299} ( segid " " and resid 2366 and name HB% ) (( segid " " and resid 2366 and name HA )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 1.586 ppm2 4.154 CV 1 OR { 299} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2413 and name HA )) ASSI { 301} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2398 and name HA )) 2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 1.558 ppm2 4.052 CV 1 OR { 301} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2309 and name HA )) ASSI { 302} ( segid " " and resid 2432 and name HB% ) (( segid " " and resid 2432 and name HA )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.45680E-02 ppm1 1.657 ppm2 4.026 CV 1 OR { 302} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2401 and name HA )) ASSI { 323} (( segid " " and resid 2352 and name HA )) ( segid " " and resid 2352 and name HG2%) 3.400 1.400 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 3.716 ppm2 1.032 CV 1 OR { 323} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name HG13)) ASSI { 324} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2352 and name HG12)) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 3.709 ppm2 0.980 CV 1 OR { 324} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name HG13)) OR { 324} (( segid " " and resid 2352 and name HA )) ( segid " " and resid 2463 and name HG1%) ASSI { 332} (( segid " " and resid 2316 and name HB )) ( segid " " and resid 2313 and name HB% ) 5.200 3.400 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 2.061 ppm2 1.650 CV 1 OR { 332} (( segid " " and resid 2316 and name HB )) ( segid " " and resid 2315 and name HB% ) OR { 332} (( segid " " and resid 2316 and name HB )) ( segid " " and resid 2401 and name HB% ) ASSI { 333} (( segid " " and resid 2316 and name HB )) (( segid " " and resid 2313 and name HA )) 3.100 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 2.054 ppm2 4.093 CV 1 OR { 333} (( segid " " and resid 2316 and name HB )) (( segid " " and resid 2317 and name HA )) ASSI { 340} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2404 and name H )) 4.900 3.000 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30590E-03 ppm1 0.856 ppm2 8.462 CV 1 OR { 340} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2402 and name H )) OR { 340} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2405 and name H )) ASSI { 342} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2401 and name HA )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 0.852 ppm2 4.074 CV 1 OR { 342} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2313 and name HA )) ASSI { 362} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2319 and name HB% ) 4.400 2.400 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 1.116 ppm2 1.671 CV 1 OR { 362} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2401 and name HB% ) ASSI { 365} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2356 and name HB )) 2.600 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.45987E-02 ppm1 1.114 ppm2 4.132 CV 1 OR { 365} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2353 and name HA )) ASSI { 369} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2357 and name H )) 2.900 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 1.114 ppm2 8.150 CV 1 OR { 369} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name H )) ASSI { 370} (( segid " " and resid 2337 and name HB2 )) (( segid " " and resid 2337 and name H )) 3.000 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 2.085 ppm2 8.382 CV 1 OR { 370} (( segid " " and resid 2337 and name HB2 )) (( segid " " and resid 2338 and name H )) ASSI { 381} (( segid " " and resid 2316 and name HG13)) (( segid " " and resid 2401 and name HA )) 3.500 1.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 1.015 ppm2 4.066 CV 1 OR { 381} (( segid " " and resid 2316 and name HG13)) (( segid " " and resid 2313 and name HA )) ASSI { 383} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name H )) 2.500 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 4.078 ppm2 8.403 CV 1 OR { 383} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name H )) ASSI { 385} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2317 and name H )) 3.200 1.300 1.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 4.095 ppm2 8.337 CV 1 OR { 385} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2454 and name H )) ASSI { 386} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2309 and name H )) 3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 4.091 ppm2 8.555 CV 1 OR { 386} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2320 and name H )) ASSI { 387} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2350 and name H )) 3.200 1.300 1.300 peak 387 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 4.078 ppm2 8.543 CV 1 OR { 387} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2320 and name H )) ASSI { 389} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2318 and name H )) 3.500 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 4.088 ppm2 8.137 CV 1 OR { 389} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2348 and name H )) OR { 389} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2348 and name H )) ASSI { 394} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2317 and name HG2 )) 3.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 4.091 ppm2 2.335 CV 1 OR { 394} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HB2 )) ASSI { 396} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name HB2 )) 3.300 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.10502E-02 ppm1 4.089 ppm2 2.165 CV 1 OR { 396} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HB3 )) OR { 396} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2317 and name HB3 )) OR { 396} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB2 )) OR { 396} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name HB3 )) OR { 396} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB3 )) ASSI { 407} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB2 )) 2.700 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.40072E-02 ppm1 4.103 ppm2 2.157 CV 1 OR { 407} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB3 )) OR { 407} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2422 and name HB3 )) ASSI { 408} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2422 and name HB2 )) 2.500 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.55469E-02 ppm1 4.098 ppm2 2.043 CV 1 OR { 408} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2309 and name HB2 )) ASSI { 410} (( segid " " and resid 2317 and name HA )) ( segid " " and resid 2316 and name HG2%) 4.000 2.000 2.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.43845E-03 ppm1 4.077 ppm2 1.081 CV 1 OR { 410} (( segid " " and resid 2368 and name HA )) ( segid " " and resid 2371 and name HG2%) ASSI { 416} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name HG3 )) 3.000 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 2.165 ppm2 2.449 CV 1 OR { 416} (( segid " " and resid 2347 and name HB3 )) (( segid " " and resid 2347 and name HG2 )) OR { 416} (( segid " " and resid 2448 and name HB2 )) (( segid " " and resid 2448 and name HG3 )) OR { 416} (( segid " " and resid 2448 and name HB3 )) (( segid " " and resid 2448 and name HG2 )) OR { 416} (( segid " " and resid 2448 and name HB3 )) (( segid " " and resid 2448 and name HG3 )) OR { 416} (( segid " " and resid 2448 and name HB2 )) (( segid " " and resid 2448 and name HG2 )) OR { 416} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name HG2 )) ASSI { 417} (( segid " " and resid 2475 and name HB3 )) (( segid " " and resid 2475 and name HA )) 3.100 1.200 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 2.179 ppm2 4.165 CV 1 OR { 417} (( segid " " and resid 2448 and name HB3 )) (( segid " " and resid 2448 and name HA )) OR { 417} (( segid " " and resid 2448 and name HB2 )) (( segid " " and resid 2448 and name HA )) ASSI { 419} (( segid " " and resid 2380 and name HG2 )) (( segid " " and resid 2380 and name HD2 )) 2.600 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.36096E-02 ppm1 2.187 ppm2 4.048 CV 1 OR { 419} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2301 and name HD3 )) ASSI { 421} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name HA )) 3.300 3.300 2.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 2.159 ppm2 4.097 CV 1 OR { 421} (( segid " " and resid 2317 and name HB3 )) (( segid " " and resid 2317 and name HA )) OR { 421} (( segid " " and resid 2451 and name HB2 )) (( segid " " and resid 2451 and name HA )) OR { 421} (( segid " " and resid 2347 and name HB3 )) (( segid " " and resid 2347 and name HA )) OR { 421} (( segid " " and resid 2451 and name HB3 )) (( segid " " and resid 2451 and name HA )) OR { 421} (( segid " " and resid 2422 and name HB3 )) (( segid " " and resid 2422 and name HA )) ASSI { 427} (( segid " " and resid 2369 and name HG3 )) (( segid " " and resid 2369 and name HB3 )) 2.400 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.62505E-02 ppm1 2.332 ppm2 2.240 CV 1 OR { 427} (( segid " " and resid 2343 and name HG2 )) (( segid " " and resid 2343 and name HB3 )) OR { 427} (( segid " " and resid 2369 and name HG3 )) (( segid " " and resid 2369 and name HB2 )) ASSI { 433} (( segid " " and resid 2318 and name HA )) (( segid " " and resid 2318 and name H )) 2.400 0.700 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.84527E-02 ppm1 4.218 ppm2 8.135 CV 1 OR { 433} (( segid " " and resid 2354 and name HA )) (( segid " " and resid 2354 and name H )) ASSI { 434} (( segid " " and resid 2319 and name HA )) (( segid " " and resid 2319 and name H )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.63117E-02 ppm1 4.228 ppm2 7.817 CV 1 OR { 434} (( segid " " and resid 2318 and name HA )) (( segid " " and resid 2319 and name H )) ASSI { 440} (( segid " " and resid 2318 and name HA )) ( segid " " and resid 2318 and name HB% ) 2.800 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 4.223 ppm2 1.604 CV 1 OR { 440} (( segid " " and resid 2354 and name HA )) ( segid " " and resid 2354 and name HB% ) OR { 440} (( segid " " and resid 2363 and name HA )) ( segid " " and resid 2363 and name HB% ) ASSI { 444} ( segid " " and resid 2355 and name HB% ) (( segid " " and resid 2355 and name H )) 3.000 3.000 3.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 1.606 ppm2 8.126 CV 1 OR { 444} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2348 and name H )) OR { 444} ( segid " " and resid 2354 and name HB% ) (( segid " " and resid 2354 and name H )) OR { 444} ( segid " " and resid 2354 and name HB% ) (( segid " " and resid 2355 and name H )) ASSI { 446} ( segid " " and resid 2403 and name HB% ) (( segid " " and resid 2403 and name H )) 3.000 1.100 1.100 peak 446 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.593 ppm2 8.695 CV 1 OR { 446} ( segid " " and resid 2363 and name HB% ) (( segid " " and resid 2363 and name H )) OR { 446} ( segid " " and resid 2402 and name HB% ) (( segid " " and resid 2403 and name H )) ASSI { 455} ( segid " " and resid 2474 and name HB% ) ( segid " " and resid 2424 and name HD2%) 4.300 2.300 1.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 1.571 ppm2 0.995 CV 1 OR { 455} ( segid " " and resid 2466 and name HB% ) ( segid " " and resid 2352 and name HD1%) ASSI { 459} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2413 and name H )) 2.800 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 1.567 ppm2 7.923 CV 1 OR { 459} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2473 and name H )) ASSI { 464} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2324 and name HB3 )) 3.000 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25696E-02 ppm1 4.132 ppm2 2.246 CV 1 OR { 464} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2324 and name HB2 )) OR { 464} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name HB3 )) ASSI { 466} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2440 and name HB )) 2.300 0.700 0.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10166E-01 ppm1 4.151 ppm2 2.240 CV 1 OR { 466} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name HB3 )) ASSI { 468} (( segid " " and resid 2322 and name HA )) (( segid " " and resid 2322 and name HB2 )) 2.900 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 4.151 ppm2 2.030 CV 1 OR { 468} (( segid " " and resid 2322 and name HA )) (( segid " " and resid 2322 and name HB3 )) OR { 468} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name HB3 )) ASSI { 474} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HA )) 3.100 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 2.055 ppm2 4.147 CV 1 OR { 474} (( segid " " and resid 2322 and name HB2 )) (( segid " " and resid 2322 and name HA )) OR { 474} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name HA )) OR { 474} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HA )) ASSI { 475} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HG2 )) 3.000 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 2.058 ppm2 1.606 CV 1 OR { 475} (( segid " " and resid 2464 and name HB2 )) (( segid " " and resid 2464 and name HG3 )) OR { 475} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HG3 )) ASSI { 476} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HG2 )) 2.900 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.20087E-02 ppm1 2.066 ppm2 1.535 CV 1 OR { 476} (( segid " " and resid 2464 and name HB2 )) (( segid " " and resid 2464 and name HG2 )) OR { 476} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HG3 )) ASSI { 477} (( segid " " and resid 2350 and name HB3 )) (( segid " " and resid 2350 and name HD3 )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.44865E-03 ppm1 2.060 ppm2 1.736 CV 1 OR { 477} (( segid " " and resid 2350 and name HB2 )) (( segid " " and resid 2350 and name HD3 )) OR { 477} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HD2 )) OR { 477} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HD3 )) OR { 477} (( segid " " and resid 2350 and name HB3 )) (( segid " " and resid 2350 and name HD2 )) OR { 477} (( segid " " and resid 2350 and name HB2 )) (( segid " " and resid 2350 and name HD2 )) OR { 477} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HD2 )) ASSI { 483} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2322 and name H )) 2.500 0.800 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 2.052 ppm2 7.617 CV 1 OR { 483} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name H )) OR { 483} (( segid " " and resid 2322 and name HB2 )) (( segid " " and resid 2322 and name H )) ASSI { 484} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name H )) 2.800 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 2.058 ppm2 8.122 CV 1 OR { 484} (( segid " " and resid 2464 and name HB2 )) (( segid " " and resid 2465 and name H )) ASSI { 488} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HA )) 2.900 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 1.990 ppm2 4.144 CV 1 OR { 488} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HA )) OR { 488} (( segid " " and resid 2454 and name HB2 )) (( segid " " and resid 2454 and name HA )) ASSI { 490} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HE2 )) 4.500 2.600 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.17334E-03 ppm1 1.988 ppm2 3.039 CV 1 OR { 490} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HE3 )) OR { 490} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HE2 )) OR { 490} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HE3 )) OR { 490} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HE2 )) ASSI { 491} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HG2 )) 3.700 3.700 2.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 1.991 ppm2 1.756 CV 1 OR { 491} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HG2 )) OR { 491} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HG3 )) OR { 491} (( segid " " and resid 2429 and name HB2 )) (( segid " " and resid 2429 and name HD2 )) OR { 491} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HG3 )) OR { 491} (( segid " " and resid 2429 and name HB2 )) (( segid " " and resid 2429 and name HD3 )) OR { 491} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HD2 )) ASSI { 494} (( segid " " and resid 2454 and name HB2 )) (( segid " " and resid 2454 and name HG3 )) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.37115E-02 ppm1 1.988 ppm2 1.552 CV 1 OR { 494} (( segid " " and resid 2454 and name HB2 )) (( segid " " and resid 2454 and name HG2 )) OR { 494} (( segid " " and resid 2429 and name HB2 )) (( segid " " and resid 2429 and name HG2 )) ASSI { 503} (( segid " " and resid 2321 and name HG3 )) (( segid " " and resid 2321 and name H )) 4.600 2.700 1.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 1.607 ppm2 8.120 CV 1 OR { 503} (( segid " " and resid 2321 and name HG2 )) (( segid " " and resid 2321 and name H )) OR { 503} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2465 and name H )) ASSI { 505} (( segid " " and resid 2375 and name HD3 )) (( segid " " and resid 2375 and name HE3 )) 4.100 4.100 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 1.785 ppm2 3.074 CV 1 OR { 505} (( segid " " and resid 2333 and name HD3 )) (( segid " " and resid 2333 and name HE3 )) OR { 505} (( segid " " and resid 2327 and name HD3 )) (( segid " " and resid 2327 and name HE3 )) OR { 505} (( segid " " and resid 2331 and name HD3 )) (( segid " " and resid 2331 and name HE3 )) OR { 505} (( segid " " and resid 2333 and name HD2 )) (( segid " " and resid 2333 and name HE2 )) OR { 505} (( segid " " and resid 2331 and name HD2 )) (( segid " " and resid 2331 and name HE2 )) OR { 505} (( segid " " and resid 2327 and name HD2 )) (( segid " " and resid 2327 and name HE2 )) OR { 505} (( segid " " and resid 2375 and name HD2 )) (( segid " " and resid 2375 and name HE2 )) OR { 505} (( segid " " and resid 2375 and name HD3 )) (( segid " " and resid 2375 and name HE2 )) OR { 505} (( segid " " and resid 2327 and name HD3 )) (( segid " " and resid 2327 and name HE2 )) OR { 505} (( segid " " and resid 2327 and name HD2 )) (( segid " " and resid 2327 and name HE3 )) OR { 505} (( segid " " and resid 2331 and name HD2 )) (( segid " " and resid 2331 and name HE3 )) OR { 505} (( segid " " and resid 2331 and name HD3 )) (( segid " " and resid 2331 and name HE2 )) OR { 505} (( segid " " and resid 2423 and name HD2 )) (( segid " " and resid 2423 and name HE3 )) OR { 505} (( segid " " and resid 2423 and name HD3 )) (( segid 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and name HE3 )) (( segid " " and resid 2321 and name HD2 )) OR { 510} (( segid " " and resid 2321 and name HE2 )) (( segid " " and resid 2321 and name HD3 )) OR { 510} (( segid " " and resid 2476 and name HE3 )) (( segid " " and resid 2476 and name HD3 )) OR { 510} (( segid " " and resid 2476 and name HE2 )) (( segid " " and resid 2476 and name HD2 )) ASSI { 513} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HA )) 3.300 1.400 1.400 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 1.539 ppm2 4.236 CV 1 OR { 513} (( segid " " and resid 2423 and name HG3 )) (( segid " " and resid 2423 and name HA )) ASSI { 515} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HA )) 3.700 1.700 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 1.523 ppm2 4.152 CV 1 OR { 515} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HA )) OR { 515} (( segid " " and resid 2322 and name 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" " and resid 2443 and name HE2 )) OR { 516} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HE2 )) OR { 516} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HE2 )) OR { 516} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HE3 )) ASSI { 518} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HG3 )) 3.200 3.200 2.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 1.540 ppm2 1.766 CV 1 OR { 518} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HD3 )) OR { 518} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HD2 )) OR { 518} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HD3 )) OR { 518} (( segid " " and resid 2322 and name HG3 )) (( segid " " and resid 2322 and name HD2 )) OR { 518} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 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HD3 )) OR { 519} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HD3 )) OR { 519} (( segid " " and resid 2375 and name HG3 )) (( segid " " and resid 2375 and name HD3 )) OR { 519} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HD3 )) OR { 519} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HD2 )) OR { 519} (( segid " " and resid 2331 and name HG2 )) (( segid " " and resid 2331 and name HB2 )) ASSI { 520} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HB2 )) 2.800 1.000 1.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 1.545 ppm2 1.985 CV 1 OR { 520} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HB2 )) OR { 520} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HB3 )) ASSI { 521} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HB3 )) 3.800 3.800 2.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 1.546 ppm2 1.906 CV 1 OR { 521} (( segid " " and resid 2375 and name HG3 )) (( segid " " and resid 2375 and name HB3 )) OR { 521} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HB2 )) OR { 521} (( segid " " and resid 2331 and name HG2 )) (( segid " " and resid 2331 and name HB3 )) OR { 521} (( segid " " and resid 2375 and name HG3 )) (( segid " " and resid 2375 and name HB2 )) OR { 521} (( segid " " and resid 2375 and name HG2 )) (( segid " " and resid 2375 and name HB3 )) OR { 521} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HB2 )) OR { 521} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HB3 )) ASSI { 522} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name H )) 2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.70763E-02 ppm1 4.214 ppm2 7.719 CV 1 OR { 522} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2477 and name H )) ASSI { 535} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2421 and name HA )) 2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.23860E-02 ppm1 2.068 ppm2 3.988 CV 1 OR { 535} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2424 and name HA )) ASSI { 541} (( segid " " and resid 2470 and name HB3 )) ( segid " " and resid 2428 and name HB% ) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.70354E-03 ppm1 2.156 ppm2 1.672 CV 1 OR { 541} (( segid " " and resid 2438 and name HB2 )) (( segid " " and resid 2438 and name HG )) ASSI { 542} (( segid " " and resid 2424 and name HB3 )) ( segid " " and resid 2474 and name HB% ) 4.700 2.800 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.23452E-03 ppm1 2.062 ppm2 1.567 CV 1 OR { 542} (( segid " " and resid 2456 and name HB3 )) ( segid " " and resid 2366 and name HB% ) OR { 542} (( segid " " and resid 2424 and name HB3 )) ( segid " " and resid 2410 and name HB% ) ASSI { 547} (( segid " " and resid 2323 and name HB3 )) ( segid " " and resid 2326 and name HD1%) 4.100 2.100 1.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 1.530 ppm2 1.037 CV 1 OR { 547} (( segid " " and resid 2323 and name HB3 )) ( segid " " and resid 2346 and name HD1%) ASSI { 554} (( segid " " and resid 2323 and name HG )) (( segid " " and resid 2323 and name HA )) 3.600 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.970 ppm2 4.205 CV 1 OR { 554} (( segid " " and resid 2310 and name HG )) (( segid " " and resid 2310 and name HA )) ASSI { 561} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2323 and name HG )) 3.000 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 0.932 ppm2 1.949 CV 1 OR { 561} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2326 and name HB3 )) ASSI { 573} ( segid " " and resid 2323 and name HD2%) ( segid " " and resid 2353 and name HB% ) 3.700 1.700 1.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 0.967 ppm2 1.387 CV 1 OR { 573} ( segid " " and resid 2323 and name HD2%) ( segid " " and resid 2411 and name HB% ) ASSI { 581} (( segid " " and resid 2343 and name HB3 )) (( segid " " and resid 2344 and name H )) 3.400 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 2.260 ppm2 8.245 CV 1 OR { 581} (( segid " " and resid 2343 and name HB3 )) (( segid " " and resid 2343 and name H )) ASSI { 586} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HB3 )) 2.800 1.000 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 2.517 ppm2 2.231 CV 1 OR { 586} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2409 and name HB2 )) OR { 586} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2409 and name HB3 )) OR { 586} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HB2 )) ASSI { 587} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2409 and name HG2 )) 1.900 0.400 0.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14438E-01 ppm1 2.509 ppm2 2.403 CV 1 OR { 587} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HG3 )) ASSI { 594} (( segid " " and resid 2337 and name HG3 )) (( segid " " and resid 2337 and name HA )) 3.400 1.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 2.364 ppm2 4.362 CV 1 OR { 594} (( segid " " and resid 2334 and name HG3 )) (( segid " " and resid 2334 and name HA )) OR { 594} (( segid " " and resid 2334 and name HG2 )) (( segid " " and resid 2334 and name HA )) OR { 594} (( segid " " and resid 2337 and name HG2 )) (( segid " " and resid 2337 and name HA )) ASSI { 602} (( segid " " and resid 2373 and name HB3 )) (( segid " " and resid 2373 and name HA )) 2.900 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 2.348 ppm2 4.357 CV 1 OR { 602} (( segid " " and resid 2325 and name HB3 )) (( segid " " and resid 2325 and name HA )) ASSI { 613} (( segid " " and resid 2373 and name HG3 )) (( segid " " and resid 2373 and name HB3 )) 3.000 1.100 1.100 peak 613 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 2.574 ppm2 2.344 CV 1 OR { 613} (( segid " " and resid 2325 and name HG3 )) (( segid " " and resid 2325 and name HB3 )) ASSI { 617} (( segid " " and resid 2430 and name HG3 )) ( segid " " and resid 2433 and name HB% ) 3.800 1.800 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 2.534 ppm2 1.599 CV 1 OR { 617} (( segid " " and resid 2430 and name HG3 )) ( segid " " and resid 2403 and name HB% ) ASSI { 619} (( segid " " and resid 2437 and name HG2 )) (( segid " " and resid 2437 and name HB3 )) 2.900 1.100 1.100 peak 619 spectrum 1 weight 0.10000E+01 volume 0.22942E-02 ppm1 2.514 ppm2 2.231 CV 1 OR { 619} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name HB2 )) OR { 619} (( segid " " and resid 2457 and name HG2 )) (( segid " " and resid 2457 and name HB2 )) OR { 619} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name HB3 )) OR { 619} (( segid " " and resid 2457 and name HG3 )) (( segid " " and resid 2457 and name HB3 )) OR { 619} (( segid " " and resid 2457 and name HG2 )) (( segid " " and resid 2457 and name HB3 )) OR { 619} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name HB3 )) OR { 619} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name HB2 )) ASSI { 620} (( segid " " and resid 2325 and name HG2 )) (( segid " " and resid 2325 and name HB3 )) 2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 2.524 ppm2 2.333 CV 1 OR { 620} (( segid " " and resid 2437 and name HG3 )) (( segid " " and resid 2437 and name HB2 )) OR { 620} (( segid " " and resid 2437 and name HG2 )) (( segid " " and resid 2437 and name HB2 )) OR { 620} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HB3 )) ASSI { 621} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name HA )) 2.900 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 2.516 ppm2 4.043 CV 1 OR { 621} (( segid " " and resid 2457 and name HG3 )) (( segid " " and resid 2457 and name HA )) OR { 621} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name HA )) ASSI { 624} (( segid " " and resid 2325 and name HG2 )) (( segid " " and resid 2325 and name HA )) 2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 2.527 ppm2 4.358 CV 1 OR { 624} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HA )) ASSI { 625} (( segid " " and resid 2437 and name HG2 )) (( segid " " and resid 2437 and name HE21)) 4.200 2.200 1.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 2.517 ppm2 6.791 CV 1 OR { 625} (( segid " " and resid 2437 and name HG3 )) (( segid " " and resid 2437 and name HE21)) OR { 625} (( segid " " and resid 2457 and name HG3 )) (( segid " " and resid 2457 and name HE21)) OR { 625} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name HE21)) OR { 625} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name HE21)) OR { 625} (( segid " " and resid 2457 and name HG2 )) (( segid " " and resid 2457 and name HE21)) ASSI { 626} (( segid " " and resid 2457 and name HG3 )) (( segid " " and resid 2457 and name HE22)) 5.300 3.500 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 2.511 ppm2 7.405 CV 1 OR { 626} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name HE22)) OR { 626} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name HE22)) OR { 626} (( segid " " and resid 2457 and name HG2 )) (( segid " " and resid 2457 and name HE22)) OR { 626} (( segid " " and resid 2437 and name HG2 )) (( segid " " and resid 2437 and name HE22)) OR { 626} (( segid " " and resid 2437 and name HG3 )) (( segid " " and resid 2437 and name HE22)) ASSI { 627} (( segid " " and resid 2325 and name HG2 )) (( segid " " and resid 2325 and name H )) 3.300 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 2.519 ppm2 7.579 CV 1 OR { 627} (( segid " " and resid 2388 and name HG3 )) (( segid " " and resid 2388 and name HE21)) ASSI { 633} (( segid " " and resid 2326 and name HA )) (( segid " " and resid 2327 and name H )) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 4.368 ppm2 8.208 CV 1 OR { 633} (( segid " " and resid 2348 and name HA )) (( segid " " and resid 2351 and name H )) ASSI { 639} (( segid " " and resid 2326 and name HB2 )) ( segid " " and resid 2326 and name HD1%) 3.400 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 1.513 ppm2 1.023 CV 1 OR { 639} (( segid " " and resid 2326 and name HB2 )) ( segid " " and resid 2346 and name HD1%) ASSI { 647} (( segid " " and resid 2326 and name HB3 )) ( segid " " and resid 2326 and name HD1%) 3.400 1.500 1.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 1.956 ppm2 1.026 CV 1 OR { 647} (( segid " " and resid 2326 and name HB3 )) ( segid " " and resid 2346 and name HD1%) ASSI { 649} (( segid " " and resid 2326 and name HG )) (( segid " " and resid 2326 and name HB2 )) 3.100 1.200 1.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.903 ppm2 1.513 CV 1 OR { 649} (( segid " " and resid 2424 and name HG )) (( segid " " and resid 2424 and name HB2 )) ASSI { 653} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2326 and name HG )) 2.900 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 1.024 ppm2 1.893 CV 1 OR { 653} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2424 and name HG )) ASSI { 674} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name HE2 )) 5.700 4.100 0.300 peak 674 spectrum 1 weight 0.10000E+01 volume 0.61179E-04 ppm1 1.911 ppm2 3.101 CV 1 OR { 674} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name HE2 )) OR { 674} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HE3 )) OR { 674} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HE3 )) OR { 674} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name HE3 )) OR { 674} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HE2 )) OR { 674} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name HE3 )) OR { 674} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HE2 )) ASSI { 682} (( segid " " and resid 2472 and name HG3 )) (( segid " " and resid 2472 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.779 ppm2 4.123 CV 1 OR { 682} (( segid " " and resid 2472 and name HG2 )) (( segid " " and resid 2472 and name HA )) OR { 682} (( segid " " and resid 2423 and name HD3 )) (( segid " " and resid 2420 and name HB2 )) ASSI { 683} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HB3 )) 3.300 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 1.761 ppm2 2.065 CV 1 OR { 683} (( segid " " and resid 2464 and name HD2 )) (( segid " " and resid 2464 and name HB2 )) OR { 683} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2321 and name HB3 )) ASSI { 684} (( segid " " and resid 2443 and name HD2 )) (( segid " " and resid 2443 and name HB2 )) 3.600 1.600 1.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 1.768 ppm2 1.993 CV 1 OR { 684} (( segid " " and resid 2443 and name HD2 )) (( segid " " and resid 2443 and name HB3 )) OR { 684} (( segid " " and resid 2443 and name HD3 )) (( segid " " and resid 2443 and name HB3 )) OR { 684} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HB2 )) OR { 684} (( segid " " and resid 2443 and name HD3 )) (( segid " " and resid 2443 and name HB2 )) ASSI { 685} (( segid " " and resid 2327 and name HD2 )) (( segid " " and resid 2327 and name HG3 )) 4.400 4.400 1.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.20393E-03 ppm1 1.769 ppm2 1.512 CV 1 OR { 685} (( segid " " and resid 2454 and name HD2 )) (( segid " " and resid 2454 and name HG3 )) OR { 685} (( segid " " and resid 2327 and name HD3 )) (( segid " " and resid 2327 and name HG2 )) OR { 685} (( segid " " and resid 2333 and name HD2 )) (( segid " " and resid 2333 and name HG2 )) OR { 685} (( segid " " and resid 2322 and name HD3 )) (( segid " " and resid 2322 and name HG2 )) OR { 685} (( segid " " and resid 2322 and name HD2 )) (( segid " " and resid 2322 and name HG3 )) OR { 685} (( 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2327 and name HD3 )) (( segid " " and resid 2327 and name HG3 )) OR { 685} (( segid " " and resid 2327 and name HD2 )) (( segid " " and resid 2327 and name HG2 )) ASSI { 700} (( segid " " and resid 2443 and name HB3 )) ( segid " " and resid 2440 and name HG2%) 5.100 3.200 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.15295E-03 ppm1 2.035 ppm2 1.065 CV 1 OR { 700} (( segid " " and resid 2350 and name HB2 )) ( segid " " and resid 2346 and name HD1%) ASSI { 701} (( segid " " and resid 2322 and name HB3 )) ( segid " " and resid 2323 and name HD2%) 5.200 3.400 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.15295E-03 ppm1 2.037 ppm2 0.941 CV 1 OR { 701} (( segid " " and resid 2322 and name HB3 )) ( segid " " and resid 2323 and name HD1%) OR { 701} (( segid " " and resid 2350 and name HB2 )) ( segid " " and resid 2323 and name HD2%) OR { 701} (( segid " " and resid 2350 and name HB3 )) ( segid " " and resid 2323 and name HD2%) ASSI { 702} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HE2 )) 4.300 2.300 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.44865E-03 ppm1 2.063 ppm2 3.041 CV 1 OR { 702} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HE3 )) OR { 702} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HE3 )) ASSI { 712} (( segid " " and resid 2328 and name HG3 )) (( segid " " and resid 2328 and name HD3 )) 2.900 1.000 1.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 2.141 ppm2 3.742 CV 1 OR { 712} (( segid " " and resid 2332 and name HG2 )) (( segid " " and resid 2332 and name HD2 )) OR { 712} (( segid " " and resid 2332 and name HG3 )) (( segid " " and resid 2332 and name HD2 )) OR { 712} (( segid " " and resid 2328 and name HG3 )) (( segid " " and resid 2328 and name HD2 )) ASSI { 737} (( segid " " and resid 2384 and name HG )) ( segid " " and resid 2384 and name HD1%) 3.400 3.400 2.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 1.760 ppm2 1.015 CV 1 OR { 737} (( segid " " and resid 2346 and name HG )) ( segid " " and resid 2346 and name HD2%) OR { 737} (( segid " " and resid 2346 and name HG )) ( segid " " and resid 2346 and name HD1%) ASSI { 738} (( segid " " and resid 2329 and name HG2 )) (( segid " " and resid 2329 and name HD2 )) 3.300 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 1.796 ppm2 3.315 CV 1 OR { 738} (( segid " " and resid 2455 and name HG3 )) (( segid " " and resid 2455 and name HD3 )) OR { 738} (( segid " " and resid 2455 and name HG3 )) (( segid " " and resid 2455 and name HD2 )) OR { 738} (( segid " " and resid 2329 and name HG3 )) (( segid " " and resid 2329 and name HD2 )) OR { 738} (( segid " " and resid 2329 and name HG2 )) (( segid " " and resid 2329 and name HD3 )) ASSI { 739} (( segid " " and resid 2368 and name HG3 )) (( segid " " and resid 2368 and name HA )) 3.900 1.900 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 1.802 ppm2 4.072 CV 1 OR { 739} (( segid " " and resid 2346 and name HG )) (( segid " " and resid 2347 and name HA )) ASSI { 740} (( segid " " and resid 2329 and name HG3 )) (( segid " " and resid 2329 and name HA )) 3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.74433E-03 ppm1 1.794 ppm2 4.361 CV 1 OR { 740} (( segid " " and resid 2329 and name HG2 )) (( segid " " and resid 2329 and name HA )) OR { 740} (( segid " " and resid 2407 and name HG )) (( segid " " and resid 2407 and name HA )) ASSI { 741} (( segid " " and resid 2346 and name HG )) (( segid " " and resid 2346 and name H )) 4.300 2.400 1.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 1.813 ppm2 8.080 CV 1 OR { 741} (( segid " " and resid 2368 and name HG3 )) (( segid " " and resid 2368 and name H )) ASSI { 744} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2462 and name HA )) 3.500 1.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 3.320 ppm2 4.272 CV 1 OR { 744} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2462 and name HA )) OR { 744} (( segid " " and resid 2368 and name HD2 )) (( segid " " and resid 2365 and name HA )) OR { 744} (( segid " " and resid 2368 and name HD3 )) (( segid " " and resid 2365 and name HA )) ASSI { 745} (( segid " " and resid 2455 and name HD2 )) (( segid " " and resid 2455 and name HG2 )) 3.500 3.500 2.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 3.311 ppm2 1.961 CV 1 OR { 745} (( segid " " and resid 2368 and name HD3 )) (( segid " " and resid 2368 and name HG2 )) OR { 745} (( segid " " and resid 2455 and name HD3 )) (( segid " " and resid 2455 and name HG2 )) OR { 745} (( segid " " and resid 2368 and name HD2 )) (( segid " " and resid 2368 and name HG2 )) OR { 745} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HB3 )) OR { 745} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HB2 )) OR { 745} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2465 and name HB3 )) OR { 745} (( segid " " and resid 2455 and name HD3 )) (( segid " " and resid 2455 and name HB2 )) ASSI { 746} (( segid " " and resid 2329 and name HD2 )) (( segid " " and resid 2329 and name HG2 )) 3.200 1.300 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 3.312 ppm2 1.792 CV 1 OR { 746} (( segid " " and resid 2368 and name HD2 )) (( segid " " and resid 2368 and name HG3 )) OR { 746} (( segid " " and resid 2455 and name HD3 )) (( segid " " and resid 2455 and name HG3 )) OR { 746} (( segid " " and resid 2455 and name HD2 )) (( segid " " and resid 2455 and name HG3 )) OR { 746} (( segid " " and resid 2368 and name HD3 )) (( segid " " and resid 2368 and name HG3 )) OR { 746} (( segid " " and resid 2329 and name HD2 )) (( segid " " and resid 2329 and name HG3 )) OR { 746} (( segid " " and resid 2329 and name HD3 )) (( segid " " and resid 2329 and name HG2 )) 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(( segid " " and resid 2333 and name HD2 )) (( segid " " and resid 2333 and name HG2 )) OR { 781} (( segid " " and resid 2375 and name HD2 )) (( segid " " and resid 2375 and name HG2 )) OR { 781} (( segid " " and resid 2443 and name HD2 )) (( segid " " and resid 2443 and name HG2 )) OR { 781} (( segid " " and resid 2375 and name HD2 )) (( segid " " and resid 2375 and name HG3 )) OR { 781} (( segid " " and resid 2375 and name HD3 )) (( segid " " and resid 2375 and name HG2 )) OR { 781} (( segid " " and resid 2333 and name HD3 )) (( segid " " and resid 2333 and name HG3 )) OR { 781} (( segid " " and resid 2375 and name HD3 )) (( segid " " and resid 2375 and name HG3 )) OR { 781} (( segid " " and resid 2333 and name HD3 )) (( segid " " and resid 2333 and name HG2 )) OR { 781} (( segid " " and resid 2333 and name HD2 )) (( segid " " and resid 2333 and name HG3 )) OR { 781} (( segid " " and resid 2443 and name HD3 )) (( segid " " and resid 2443 and name HG2 )) OR { 781} (( segid " " and resid 2331 and name HD2 )) (( segid " " and resid 2331 and name HG2 )) OR { 781} (( segid " " and resid 2331 and name HD3 )) (( segid " " and resid 2331 and name HG3 )) OR { 781} (( segid " " and resid 2472 and name HG2 )) (( segid " " and resid 2472 and name HD3 )) ASSI { 782} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HD3 )) 4.000 4.000 2.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 3.085 ppm2 1.557 CV 1 OR { 782} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HD3 )) OR { 782} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HG3 )) OR { 782} (( segid " " and resid 2423 and name HE2 )) (( segid " " and resid 2423 and name HG3 )) OR { 782} (( segid " " and resid 2423 and name HE3 )) (( segid " " and resid 2423 and name HG3 )) OR { 782} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HG2 )) OR { 782} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HG3 )) OR { 782} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HG3 )) OR { 782} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HG2 )) OR { 782} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HG2 )) OR { 782} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HG2 )) ASSI { 783} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HD3 )) 3.600 3.600 2.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 3.086 ppm2 1.786 CV 1 OR { 783} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HD3 )) OR { 783} (( segid " " and resid 2327 and name HE3 )) (( segid " " and resid 2327 and name HD3 )) OR { 783} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HD3 )) OR { 783} (( segid " " and resid 2333 and name HE2 )) (( segid " " and resid 2333 and name HD2 )) OR { 783} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HD2 )) OR { 783} (( segid " " and resid 2327 and name HE2 )) (( segid " " and resid 2327 and name HD2 )) OR { 783} (( segid " " and resid 2375 and name HE2 )) (( segid " " and resid 2375 and name HD2 )) OR { 783} (( segid " " and resid 2375 and name HE2 )) (( segid " " and resid 2375 and name HD3 )) OR { 783} (( segid " " and resid 2327 and name HE2 )) (( segid " " and resid 2327 and name HD3 )) OR { 783} (( segid " " and resid 2327 and name HE3 )) (( segid " " and resid 2327 and name HD2 )) OR { 783} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HD2 )) OR { 783} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HD3 )) OR { 783} (( segid " " and resid 2423 and name HE2 )) (( segid " " and resid 2423 and name HD3 )) OR { 783} (( segid " " and resid 2333 and name HE2 )) (( segid " " and 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resid 2328 and name HA )) 4.000 2.000 2.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 3.730 ppm2 4.511 CV 1 OR { 796} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2328 and name HA )) OR { 796} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2332 and name HA )) ASSI { 797} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2327 and name H )) 4.800 2.900 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 3.731 ppm2 8.217 CV 1 OR { 797} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name H )) OR { 797} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name H )) ASSI { 809} (( segid " " and resid 2375 and name HA )) (( segid " " and resid 2375 and name HG3 )) 3.400 1.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 4.330 ppm2 1.550 CV 1 OR { 809} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2333 and name HG2 )) OR { 809} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2333 and name HG3 )) OR { 809} (( segid " " and resid 2375 and name HA )) (( segid " " and resid 2375 and name HG2 )) ASSI { 810} (( segid " " and resid 2375 and name HA )) (( segid " " and resid 2375 and name HB3 )) 3.000 1.200 1.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 4.330 ppm2 1.918 CV 1 OR { 810} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2333 and name HB2 )) OR { 810} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2333 and name HB3 )) OR { 810} (( segid " " and resid 2375 and name HA )) (( segid " " and resid 2375 and name HB2 )) ASSI { 819} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2368 and name H )) 3.300 1.300 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 2.026 ppm2 8.083 CV 1 OR { 819} (( segid " " and resid 2398 and name HB2 )) (( segid " " and resid 2399 and name H )) ASSI { 820} (( segid " " and resid 2398 and name HB2 )) (( segid " " and resid 2398 and name H )) 3.400 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 2.040 ppm2 8.527 CV 1 OR { 820} (( segid " " and resid 2334 and name HB2 )) (( segid " " and resid 2334 and name H )) OR { 820} (( segid " " and resid 2398 and name HB3 )) (( segid " " and resid 2398 and name H )) ASSI { 821} (( segid " " and resid 2422 and name HG3 )) (( segid " " and resid 2422 and name HB2 )) 3.100 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 2.370 ppm2 2.051 CV 1 OR { 821} (( segid " " and resid 2337 and name HG2 )) (( segid " " and resid 2337 and name HB2 )) OR { 821} (( segid " " and resid 2334 and name HG2 )) (( segid " " and resid 2334 and name HB2 )) OR { 821} (( segid " " and resid 2334 and name HG3 )) (( segid " " and resid 2334 and name HB2 )) OR { 821} (( segid " " and resid 2337 and name HG3 )) (( segid " " and resid 2337 and name HB2 )) ASSI { 822} (( segid " " and resid 2409 and name HG2 )) (( segid " " and resid 2409 and name HB3 )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.58222E-02 ppm1 2.372 ppm2 2.201 CV 1 OR { 822} (( segid " " and resid 2337 and name HG3 )) (( segid " " and resid 2337 and name HB3 )) OR { 822} (( segid " " and resid 2334 and name HG3 )) (( segid " " and resid 2334 and name HB3 )) OR { 822} (( segid " " and resid 2334 and name HG2 )) (( segid " " and resid 2334 and name HB3 )) OR { 822} (( segid " " and resid 2337 and name HG2 )) (( segid " " and resid 2337 and name HB3 )) ASSI { 829} (( segid " " and resid 2385 and name HB2 )) (( segid " " and resid 2385 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 2.806 ppm2 4.652 CV 1 OR { 829} (( segid " " and resid 2336 and name HB2 )) (( segid " " and resid 2336 and name HA )) OR { 829} (( segid " " and resid 2336 and name HB3 )) (( segid " " and resid 2336 and name HA )) OR { 829} (( segid " " and resid 2385 and name HB3 )) (( segid " " and resid 2385 and name HA )) ASSI { 830} (( segid " " and resid 2385 and name HB2 )) (( segid " " and resid 2385 and name HA )) 3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 2.785 ppm2 4.656 CV 1 OR { 830} (( segid " " and resid 2336 and name HB2 )) (( segid " " and resid 2336 and name HA )) OR { 830} (( segid " " and resid 2447 and name HB3 )) (( segid " " and resid 2447 and name HA )) OR { 830} (( segid " " and resid 2336 and name HB3 )) (( segid " " and resid 2336 and name HA )) OR { 830} (( segid " " and resid 2385 and name HB3 )) (( segid " " and resid 2385 and name HA )) ASSI { 831} (( segid " " and resid 2375 and name HA )) ( segid " " and resid 2376 and name HG2%) 4.600 2.700 1.400 peak 831 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 4.344 ppm2 0.830 CV 1 OR { 831} (( segid " " and resid 2375 and name HA )) ( segid " " and resid 2370 and name HD1%) ASSI { 836} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2338 and name H )) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.60058E-02 ppm1 4.355 ppm2 8.381 CV 1 OR { 836} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2337 and name H )) ASSI { 839} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name HG3 )) 3.400 1.500 1.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 2.086 ppm2 1.799 CV 1 OR { 839} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HG3 )) ASSI { 852} (( segid " " and resid 2445 and name HA )) ( segid " " and resid 2370 and name HD2%) 4.800 2.800 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 4.447 ppm2 0.814 CV 1 OR { 852} (( segid " " and resid 2445 and name HA )) ( segid " " and resid 2376 and name HG2%) OR { 852} (( segid " " and resid 2445 and name HA )) ( segid " " and resid 2370 and name HD1%) ASSI { 853} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HB3 )) 3.300 1.400 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 4.447 ppm2 1.115 CV 1 OR { 853} (( segid " " and resid 2445 and name HA )) ( segid " " and resid 2444 and name HG1%) ASSI { 878} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2307 and name HD21)) 4.300 2.300 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.56081E-03 ppm1 3.027 ppm2 7.657 CV 1 OR { 878} (( segid " " and resid 2340 and name HB2 )) (( segid " " and resid 2340 and name HD22)) OR { 878} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2340 and name HD22)) ASSI { 880} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2340 and name H )) 3.800 1.800 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 3.072 ppm2 8.598 CV 1 OR { 880} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2308 and name H )) ASSI { 891} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2345 and name H )) 3.700 1.700 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 4.404 ppm2 8.284 CV 1 OR { 891} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2343 and name H )) ASSI { 956} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name HG3 )) 1.900 0.400 0.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.13347E-01 ppm1 2.507 ppm2 2.341 CV 1 OR { 956} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name HG2 )) ASSI { 967} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name HG2 )) 3.700 1.700 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 2.327 ppm2 2.631 CV 1 OR { 967} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2430 and name HG2 )) OR { 967} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name HG2 )) OR { 967} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name HG2 )) ASSI { 970} (( segid " " and resid 2421 and name HB3 )) ( segid " " and resid 2474 and name HB% ) 4.200 2.200 1.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 2.143 ppm2 1.567 CV 1 OR { 970} (( segid " " and resid 2344 and name HB3 )) ( segid " " and resid 2473 and name HB% ) ASSI { 979} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name HB3 )) 3.100 1.200 1.200 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 2.437 ppm2 2.162 CV 1 OR { 979} (( segid " " and resid 2421 and name HG2 )) (( segid " " and resid 2421 and name HB3 )) OR { 979} (( segid " " and resid 2421 and name HG3 )) (( segid " " and resid 2421 and name HB3 )) OR { 979} (( segid " " and resid 2344 and name HG3 )) (( segid " " and resid 2344 and name HB3 )) ASSI { 989} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2346 and name H )) 3.000 1.100 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 3.683 ppm2 8.105 CV 1 OR { 989} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2348 and name H )) ASSI { 994} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2345 and name HG12)) 3.200 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.18456E-02 ppm1 3.683 ppm2 1.004 CV 1 OR { 994} (( segid " " and resid 2345 and name HA )) ( segid " " and resid 2470 and name HD2%) ASSI { 1003} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2346 and name HA )) 4.000 2.000 2.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 1.934 ppm2 4.024 CV 1 OR { 1003} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2411 and name HA )) ASSI { 1004} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2345 and name HA )) 2.800 1.000 1.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 1.937 ppm2 3.668 CV 1 OR { 1004} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2342 and name HA )) ASSI { 1008} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2345 and name HA )) 3.000 1.100 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.19170E-02 ppm1 1.001 ppm2 3.678 CV 1 OR { 1008} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2342 and name HA )) ASSI { 1022} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2470 and name HD2%) 3.400 1.500 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 0.830 ppm2 1.004 CV 1 OR { 1022} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name HG12)) ASSI { 1034} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2346 and name H )) 3.500 1.500 1.500 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 0.830 ppm2 8.092 CV 1 OR { 1034} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2414 and name H )) ASSI { 1036} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2349 and name H )) 4.100 2.100 1.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.61179E-03 ppm1 0.830 ppm2 8.874 CV 1 OR { 1036} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2411 and name H )) ASSI { 1040} (( segid " " and resid 2359 and name HA )) ( segid " " and resid 2459 and name HB% ) 2.600 0.800 0.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.56591E-02 ppm1 3.987 ppm2 1.631 CV 1 OR { 1040} (( segid " " and resid 2359 and name HA )) (( segid " " and resid 2359 and name HB3 )) ASSI { 1044} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2346 and name HA )) 2.800 1.000 1.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.25899E-02 ppm1 1.911 ppm2 4.023 CV 1 OR { 1044} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2343 and name HA )) ASSI { 1047} (( segid " " and resid 2470 and name HB2 )) (( segid " " and resid 2470 and name H )) 2.700 0.900 0.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 1.785 ppm2 8.088 CV 1 OR { 1047} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2346 and name H )) ASSI { 1050} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2343 and name HA )) 2.600 0.800 0.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.36810E-02 ppm1 1.788 ppm2 4.025 CV 1 OR { 1050} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2346 and name HA )) ASSI { 1053} (( segid " " and resid 2470 and name HB2 )) ( segid " " and resid 2470 and name HD2%) 4.100 2.100 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 1.779 ppm2 1.006 CV 1 OR { 1053} (( segid " " and resid 2384 and name HB3 )) ( segid " " and resid 2384 and name HD1%) OR { 1053} (( segid " " and resid 2346 and name HB2 )) ( segid " " and resid 2346 and name HD2%) ASSI { 1056} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HG )) 3.200 1.300 1.300 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 1.012 ppm2 1.768 CV 1 OR { 1056} ( segid " " and resid 2346 and name HD2%) (( segid " " and resid 2346 and name HG )) OR { 1056} ( segid " " and resid 2346 and name HD2%) (( segid " " and resid 2346 and name HB2 )) ASSI { 1058} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG2 )) 3.100 1.200 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.19170E-02 ppm1 4.074 ppm2 2.453 CV 1 OR { 1058} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG3 )) OR { 1058} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HG3 )) OR { 1058} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name HG2 )) ASSI { 1063} (( segid " " and resid 2317 and name HB2 )) ( segid " " and resid 2318 and name HB% ) 4.700 2.800 1.300 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 2.164 ppm2 1.607 CV 1 OR { 1063} (( segid " " and resid 2317 and name HB2 )) ( segid " " and resid 2314 and name HB% ) OR { 1063} (( segid " " and resid 2317 and name HB3 )) ( segid " " and resid 2318 and name HB% ) ASSI { 1071} (( segid " " and resid 2362 and name HA )) (( segid " " and resid 2366 and name H )) 3.500 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 4.356 ppm2 8.370 CV 1 OR { 1071} (( segid " " and resid 2466 and name HA )) (( segid " " and resid 2468 and name H )) ASSI { 1076} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2416 and name HB2 )) 3.900 1.900 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 1.608 ppm2 2.433 CV 1 OR { 1076} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2347 and name HG3 )) ASSI { 1079} ( segid " " and resid 2397 and name HB% ) ( segid " " and resid 2360 and name HG2%) 4.100 2.100 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 1.483 ppm2 1.075 CV 1 OR { 1079} ( segid " " and resid 2349 and name HB% ) ( segid " " and resid 2470 and name HD1%) OR { 1079} ( segid " " and resid 2349 and name HB% ) ( segid " " and resid 2407 and name HD1%) ASSI { 1080} ( segid " " and resid 2397 and name HB% ) ( segid " " and resid 2438 and name HD1%) 3.500 3.500 2.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.82591E-03 ppm1 1.483 ppm2 0.952 CV 1 OR { 1080} ( segid " " and resid 2349 and name HB% ) ( segid " " and resid 2323 and name HD2%) ASSI { 1081} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2369 and name HG2 )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.76476E-03 ppm1 1.471 ppm2 2.472 CV 1 OR { 1081} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2399 and name HB2 )) ASSI { 1082} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2438 and name HB2 )) 3.900 1.900 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 1.469 ppm2 2.126 CV 1 OR { 1082} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2352 and name HB )) ASSI { 1088} ( segid " " and resid 2397 and name HB% ) (( segid " " and resid 2399 and name H )) 4.300 2.300 1.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.478 ppm2 8.105 CV 1 OR { 1088} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2348 and name H )) ASSI { 1112} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2317 and name H )) 3.700 1.700 1.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 3.712 ppm2 8.340 CV 1 OR { 1112} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2353 and name H )) ASSI { 1114} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2351 and name HA )) 3.900 1.900 1.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 3.711 ppm2 4.405 CV 1 OR { 1114} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2404 and name HB )) ASSI { 1115} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name HG12)) 3.200 1.300 1.300 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 3.708 ppm2 2.090 CV 1 OR { 1115} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2352 and name HG13)) OR { 1115} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2352 and name HB )) ASSI { 1122} (( segid " " and resid 2352 and name HB )) ( segid " " and resid 2353 and name HB% ) 5.400 3.600 0.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 2.123 ppm2 1.394 CV 1 OR { 1122} (( segid " " and resid 2352 and name HB )) ( segid " " and resid 2404 and name HG2%) ASSI { 1138} (( segid " " and resid 2352 and name HG13)) (( segid " " and resid 2351 and name HB3 )) 3.700 1.700 1.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.60160E-03 ppm1 2.061 ppm2 4.071 CV 1 OR { 1138} (( segid " " and resid 2352 and name HG13)) (( segid " " and resid 2349 and name HA )) ASSI { 1155} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2411 and name HB% ) 5.800 4.200 0.200 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.81573E-04 ppm1 0.971 ppm2 1.379 CV 1 OR { 1155} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2404 and name HG2%) ASSI { 1157} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2407 and name HG )) 3.400 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 0.974 ppm2 1.784 CV 1 OR { 1157} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2470 and name HB2 )) ASSI { 1165} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2353 and name H )) 4.200 2.200 1.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 0.970 ppm2 8.368 CV 1 OR { 1165} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2468 and name H )) ASSI { 1168} (( segid " " and resid 2353 and name HA )) (( segid " " and resid 2353 and name H )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 4.147 ppm2 8.351 CV 1 OR { 1168} (( segid " " and resid 2358 and name HA )) (( segid " " and resid 2361 and name H )) ASSI { 1174} (( segid " " and resid 2353 and name HA )) ( segid " " and resid 2352 and name HG2%) 4.200 2.200 1.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.36707E-03 ppm1 4.145 ppm2 1.050 CV 1 OR { 1174} (( segid " " and resid 2366 and name HA )) ( segid " " and resid 2456 and name HD1%) ASSI { 1185} (( segid " " and resid 2318 and name HA )) (( segid " " and resid 2317 and name H )) 4.100 2.100 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 4.219 ppm2 8.340 CV 1 OR { 1185} (( segid " " and resid 2354 and name HA )) (( segid " " and resid 2353 and name H )) ASSI { 1187} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2309 and name HD2%) 4.700 2.800 1.300 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.19373E-03 ppm1 1.606 ppm2 0.825 CV 1 OR { 1187} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2309 and name HD1%) OR { 1187} ( segid " " and resid 2348 and name HB% ) ( segid " " and resid 2345 and name HG2%) ASSI { 1192} (( segid " " and resid 2355 and name HA )) ( segid " " and resid 2355 and name HB% ) 2.500 0.800 0.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.55163E-02 ppm1 4.407 ppm2 1.626 CV 1 OR { 1192} (( segid " " and resid 2459 and name HA )) ( segid " " and resid 2459 and name HB% ) ASSI { 1193} (( segid " " and resid 2459 and name HA )) ( segid " " and resid 2463 and name HG2%) 4.100 2.100 1.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.60160E-03 ppm1 4.409 ppm2 1.172 CV 1 OR { 1193} (( segid " " and resid 2355 and name HA )) ( segid " " and resid 2463 and name HG2%) ASSI { 1201} (( segid " " and resid 2356 and name HA )) ( segid " " and resid 2463 and name HG2%) 3.300 1.400 1.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 4.016 ppm2 1.161 CV 1 OR { 1201} (( segid " " and resid 2356 and name HA )) ( segid " " and resid 2359 and name HD2%) ASSI { 1212} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2353 and name H )) 3.600 1.700 1.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.41806E-03 ppm1 1.291 ppm2 8.359 CV 1 OR { 1212} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2401 and name H )) ASSI { 1231} (( segid " " and resid 2413 and name HA )) (( segid " " and resid 2413 and name H )) 2.800 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 4.163 ppm2 7.912 CV 1 OR { 1231} (( segid " " and resid 2452 and name HA )) (( segid " " and resid 2453 and name H )) ASSI { 1232} (( segid " " and resid 2452 and name HA )) (( segid " " and resid 2455 and name H )) 3.800 1.800 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 4.157 ppm2 8.191 CV 1 OR { 1232} (( segid " " and resid 2436 and name HA )) (( segid " " and resid 2439 and name H )) ASSI { 1233} (( segid " " and resid 2353 and name HA )) (( segid " " and resid 2354 and name H )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 4.151 ppm2 8.144 CV 1 OR { 1233} (( segid " " and resid 2414 and name HA )) (( segid " " and resid 2415 and name H )) ASSI { 1235} ( segid " " and resid 2414 and name HB% ) ( segid " " and resid 2345 and name HG2%) 4.000 2.000 2.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 1.652 ppm2 0.851 CV 1 OR { 1235} ( segid " " and resid 2401 and name HB% ) ( segid " " and resid 2316 and name HD1%) ASSI { 1236} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2316 and name HG13)) 3.800 1.800 1.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 1.654 ppm2 0.993 CV 1 OR { 1236} ( segid " " and resid 2436 and name HB% ) ( segid " " and resid 2439 and name HD1%) ASSI { 1238} (( segid " " and resid 2359 and name HA )) ( segid " " and resid 2359 and name HD1%) 3.400 1.500 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 3.986 ppm2 1.023 CV 1 OR { 1238} (( segid " " and resid 2346 and name HA )) ( segid " " and resid 2346 and name HD1%) ASSI { 1247} (( segid " " and resid 2359 and name HB2 )) (( segid " " and resid 2359 and name HA )) 2.900 1.000 1.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 2.380 ppm2 4.008 CV 1 OR { 1247} (( segid " " and resid 2359 and name HB2 )) (( segid " " and resid 2356 and name HA )) ASSI { 1252} (( segid " " and resid 2359 and name HB3 )) ( segid " " and resid 2438 and name HD2%) 3.300 1.400 1.400 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.655 ppm2 0.926 CV 1 OR { 1252} (( segid " " and resid 2359 and name HB3 )) ( segid " " and resid 2400 and name HG2%) ASSI { 1269} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HA )) 3.400 1.500 1.500 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.15805E-02 ppm1 1.147 ppm2 4.010 CV 1 OR { 1269} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2356 and name HA )) ASSI { 1286} (( segid " " and resid 2360 and name HB )) ( segid " " and resid 2313 and name HB% ) 4.100 2.100 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.80555E-03 ppm1 2.219 ppm2 1.638 CV 1 OR { 1286} (( segid " " and resid 2360 and name HB )) (( segid " " and resid 2359 and name HB3 )) ASSI { 1288} ( segid " " and resid 2360 and name HG1%) ( segid " " and resid 2316 and name HD1%) 3.400 1.500 1.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 1.114 ppm2 0.854 CV 1 OR { 1288} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2309 and name HD2%) ASSI { 1296} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2309 and name HA )) 3.300 1.400 1.400 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 1.107 ppm2 4.071 CV 1 OR { 1296} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2313 and name HA )) ASSI { 1297} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2309 and name HB3 )) 3.100 1.200 1.200 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 1.108 ppm2 1.565 CV 1 OR { 1297} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2363 and name HB% ) ASSI { 1305} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name H )) 2.400 0.700 0.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.51187E-02 ppm1 1.980 ppm2 7.948 CV 1 OR { 1305} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2473 and name H )) OR { 1305} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name H )) ASSI { 1320} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name HB2 )) 4.200 2.200 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 2.972 ppm2 1.981 CV 1 OR { 1320} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name HB2 )) OR { 1320} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HB3 )) OR { 1320} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HB2 )) OR { 1320} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HB3 )) ASSI { 1321} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name HD2 )) 2.900 2.900 3.100 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 2.973 ppm2 1.755 CV 1 OR { 1321} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HD3 )) OR { 1321} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name HD3 )) OR { 1321} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HD3 )) OR { 1321} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HD2 )) OR { 1321} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HD2 )) OR { 1321} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name HD2 )) OR { 1321} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name HD3 )) ASSI { 1328} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2438 and name HD2%) 4.300 2.300 1.700 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 1.587 ppm2 0.910 CV 1 OR { 1328} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2438 and name HD1%) OR { 1328} ( segid " " and resid 2403 and name HB% ) ( segid " " and resid 2431 and name HG1%) ASSI { 1331} (( segid " " and resid 2364 and name HA )) ( segid " " and resid 2363 and name HB% ) 4.500 2.500 1.500 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 4.270 ppm2 1.576 CV 1 OR { 1331} (( segid " " and resid 2364 and name HA )) (( segid " " and resid 2309 and name HB3 )) ASSI { 1340} (( segid " " and resid 2351 and name HB3 )) (( segid " " and resid 2351 and name HB2 )) 2.700 2.700 3.300 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 4.086 ppm2 4.249 CV 1 OR { 1340} (( segid " " and resid 2426 and name HB3 )) (( segid " " and resid 2426 and name HA )) OR { 1340} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2364 and name HA )) ASSI { 1355} (( segid " " and resid 2402 and name HA )) (( segid " " and resid 2401 and name HA )) 4.100 2.100 1.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 4.278 ppm2 4.063 CV 1 OR { 1355} (( segid " " and resid 2314 and name HA )) (( segid " " and resid 2313 and name HA )) OR { 1355} (( segid " " and resid 2396 and name HA )) (( segid " " and resid 2438 and name HA )) ASSI { 1357} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2464 and name HB2 )) 3.200 1.300 1.300 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 1.653 ppm2 2.054 CV 1 OR { 1357} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2316 and name HG12)) ASSI { 1358} ( segid " " and resid 2414 and name HB% ) (( segid " " and resid 2414 and name H )) 2.900 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 1.635 ppm2 8.082 CV 1 OR { 1358} ( segid " " and resid 2458 and name HB% ) (( segid " " and resid 2458 and name H )) OR { 1358} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2315 and name H )) ASSI { 1359} ( segid " " and resid 2318 and name HB% ) (( segid " " and resid 2321 and name HB3 )) 5.300 3.600 0.700 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.14275E-03 ppm1 1.568 ppm2 2.053 CV 1 OR { 1359} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2398 and name HB2 )) OR { 1359} ( segid " " and resid 2366 and name HB% ) (( segid " " and resid 2456 and name HB3 )) OR { 1359} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2424 and name HB3 )) OR { 1359} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2398 and name HB3 )) ASSI { 1365} (( segid " " and resid 2367 and name HA )) (( segid " " and resid 2368 and name H )) 3.600 1.700 1.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 4.174 ppm2 8.084 CV 1 OR { 1365} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2458 and name H )) ASSI { 1374} (( segid " " and resid 2367 and name HB2 )) ( segid " " and resid 2370 and name HD2%) 4.800 2.900 1.200 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 2.516 ppm2 0.844 CV 1 OR { 1374} (( segid " " and resid 2367 and name HB2 )) ( segid " " and resid 2309 and name HD1%) ASSI { 1385} (( segid " " and resid 2367 and name HG2 )) (( segid " " and resid 2367 and name HA )) 3.300 1.300 1.300 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 2.463 ppm2 4.191 CV 1 OR { 1385} (( segid " " and resid 2448 and name HG2 )) (( segid " " and resid 2448 and name HA )) OR { 1385} (( segid " " and resid 2448 and name HG3 )) (( segid " " and resid 2448 and name HA )) OR { 1385} (( segid " " and resid 2367 and name HG3 )) (( segid " " and resid 2367 and name HA )) ASSI { 1392} (( segid " " and resid 2465 and name HA )) (( segid " " and resid 2465 and name HB2 )) 2.800 0.900 0.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 4.215 ppm2 1.978 CV 1 OR { 1392} (( segid " " and resid 2455 and name HA )) (( segid " " and resid 2455 and name HB2 )) OR { 1392} (( segid " " and resid 2465 and name HA )) (( segid " " and resid 2465 and name HB3 )) ASSI { 1397} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name HB2 )) 3.000 1.100 1.100 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 2.495 ppm2 2.258 CV 1 OR { 1397} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name HB3 )) OR { 1397} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name HB3 )) ASSI { 1404} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name H )) 3.400 1.400 1.400 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 4.142 ppm2 8.109 CV 1 OR { 1404} (( segid " " and resid 2370 and name HA )) (( segid " " and resid 2371 and name H )) ASSI { 1418} ( segid " " and resid 2370 and name HD1%) ( segid " " and resid 2446 and name HB% ) 3.700 1.700 1.700 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 0.838 ppm2 1.486 CV 1 OR { 1418} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2445 and name HB2 )) ASSI { 1433} (( segid " " and resid 2371 and name HA )) ( segid " " and resid 2376 and name HG2%) 4.500 2.600 1.500 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.24472E-03 ppm1 4.038 ppm2 0.823 CV 1 OR { 1433} (( segid " " and resid 2371 and name HA )) ( segid " " and resid 2370 and name HD1%) ASSI { 1434} (( segid " " and resid 2399 and name HB3 )) (( segid " " and resid 2399 and name H )) 2.800 1.000 1.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.22024E-02 ppm1 2.276 ppm2 8.108 CV 1 OR { 1434} (( segid " " and resid 2371 and name HB )) (( segid " " and resid 2371 and name H )) ASSI { 1435} (( segid " " and resid 2440 and name HB )) (( segid " " and resid 2440 and name H )) 2.300 0.700 0.700 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.67601E-02 ppm1 2.240 ppm2 7.986 CV 1 OR { 1435} (( segid " " and resid 2440 and name HB )) (( segid " " and resid 2441 and name H )) ASSI { 1444} ( segid " " and resid 2371 and name HG1%) ( segid " " and resid 2376 and name HG2%) 4.900 3.000 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.11216E-03 ppm1 1.163 ppm2 0.824 CV 1 OR { 1444} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2345 and name HG2%) OR { 1444} ( segid " " and resid 2371 and name HG1%) ( segid " " and resid 2370 and name HD1%) ASSI { 1445} ( segid " " and resid 2371 and name HG2%) ( segid " " and resid 2371 and name HG1%) 3.100 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 1.072 ppm2 1.170 CV 1 OR { 1445} ( segid " " and resid 2440 and name HG2%) ( segid " " and resid 2440 and name HG1%) ASSI { 1448} ( segid " " and resid 2440 and name HG2%) (( segid " " and resid 2437 and name HA )) 3.800 1.800 1.800 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 1.067 ppm2 4.157 CV 1 OR { 1448} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2367 and name HA )) ASSI { 1467} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HA )) 3.000 1.100 1.100 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.38339E-02 ppm1 2.546 ppm2 4.372 CV 1 OR { 1467} (( segid " " and resid 2373 and name HG3 )) (( segid " " and resid 2373 and name HA )) ASSI { 1475} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name H )) 3.700 1.700 1.700 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 1.921 ppm2 8.225 CV 1 OR { 1475} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name H )) OR { 1475} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name H )) ASSI { 1495} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2371 and name HA )) 4.000 2.000 2.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.50983E-03 ppm1 0.890 ppm2 4.031 CV 1 OR { 1495} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2374 and name HA2 )) ASSI { 1511} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2370 and name HB3 )) 4.100 2.100 1.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 0.818 ppm2 1.347 CV 1 OR { 1511} ( segid " " and resid 2376 and name HG2%) ( segid " " and resid 2302 and name HG2%) ASSI { 1512} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2445 and name HB3 )) 3.800 1.800 1.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.70354E-03 ppm1 0.819 ppm2 1.146 CV 1 OR { 1512} ( segid " " and resid 2376 and name HG2%) ( segid " " and resid 2371 and name HG1%) ASSI { 1546} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2379 and name H )) 4.000 2.000 2.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 1.004 ppm2 7.923 CV 1 OR { 1546} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2383 and name H )) ASSI { 1559} (( segid " " and resid 2380 and name HA )) ( segid " " and resid 2379 and name HG2%) 4.800 2.900 1.200 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.37728E-03 ppm1 4.402 ppm2 1.016 CV 1 OR { 1559} (( segid " " and resid 2301 and name HA )) ( segid " " and resid 2304 and name HG2%) ASSI { 1563} (( segid " " and resid 2450 and name HB3 )) ( segid " " and resid 2446 and name HB% ) 4.100 2.100 1.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 4.408 ppm2 1.475 CV 1 OR { 1563} (( segid " " and resid 2450 and name HB3 )) ( segid " " and resid 2452 and name HB% ) ASSI { 1565} (( segid " " and resid 2301 and name HA )) (( segid " " and resid 2301 and name HB2 )) 2.800 1.000 1.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.44355E-02 ppm1 4.411 ppm2 2.079 CV 1 OR { 1565} (( segid " " and resid 2380 and name HA )) (( segid " " and resid 2380 and name HB2 )) ASSI { 1567} (( segid " " and resid 2380 and name HA )) (( segid " " and resid 2380 and name HB3 )) 2.300 0.600 0.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.69436E-02 ppm1 4.408 ppm2 2.456 CV 1 OR { 1567} (( segid " " and resid 2301 and name HA )) (( segid " " and resid 2301 and name HB3 )) ASSI { 1571} (( segid " " and resid 2380 and name HA )) (( segid " " and resid 2381 and name H )) 3.500 1.500 1.500 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 4.409 ppm2 8.333 CV 1 OR { 1571} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2454 and name H )) ASSI { 1572} (( segid " " and resid 2301 and name HA )) (( segid " " and resid 2302 and name H )) 3.900 1.900 1.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 4.398 ppm2 8.533 CV 1 OR { 1572} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2447 and name H )) ASSI { 1575} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2381 and name H )) 3.100 1.200 1.200 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 2.072 ppm2 8.331 CV 1 OR { 1575} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name H )) ASSI { 1586} (( segid " " and resid 2380 and name HB3 )) (( segid " " and resid 2380 and name HA )) 2.900 1.000 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 2.454 ppm2 4.414 CV 1 OR { 1586} (( segid " " and resid 2301 and name HB3 )) (( segid " " and resid 2301 and name HA )) OR { 1586} (( segid " " and resid 2399 and name HB2 )) (( segid " " and resid 2399 and name HA )) ASSI { 1591} (( segid " " and resid 2380 and name HG2 )) (( segid " " and resid 2380 and name HG3 )) 2.200 0.600 0.600 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 2.207 ppm2 2.080 CV 1 OR { 1591} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2301 and name HG3 )) OR { 1591} (( segid " " and resid 2380 and name HG2 )) (( segid " " and resid 2380 and name HB2 )) ASSI { 1592} (( segid " " and resid 2380 and name HG3 )) (( segid " " and resid 2380 and name HG2 )) 2.000 0.500 0.500 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.73314E-02 ppm1 2.074 ppm2 2.199 CV 1 OR { 1592} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2301 and name HG2 )) ASSI { 1604} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2301 and name HB3 )) 3.700 1.700 1.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 4.045 ppm2 2.462 CV 1 OR { 1604} (( segid " " and resid 2380 and name HD2 )) (( segid " " and resid 2380 and name HB3 )) ASSI { 1608} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2380 and name HA )) 3.500 1.500 1.500 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 4.042 ppm2 4.402 CV 1 OR { 1608} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2301 and name HA )) ASSI { 1629} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2383 and name H )) 3.900 1.900 1.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 2.844 ppm2 7.929 CV 1 OR { 1629} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2379 and name H )) ASSI { 1635} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2461 and name HB2 )) 3.100 1.200 1.200 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.18252E-02 ppm1 4.315 ppm2 2.948 CV 1 OR { 1635} (( segid " " and resid 2383 and name HA )) (( segid " " and resid 2386 and name HB3 )) ASSI { 1647} (( segid " " and resid 2329 and name HG3 )) (( segid " " and resid 2329 and name HA )) 3.800 1.800 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 1.762 ppm2 4.370 CV 1 OR { 1647} (( segid " " and resid 2329 and name HG2 )) (( segid " " and resid 2329 and name HA )) OR { 1647} (( segid " " and resid 2384 and name HG )) (( segid " " and resid 2384 and name HA )) ASSI { 1674} (( segid " " and resid 2387 and name HA2 )) (( segid " " and resid 2301 and name HG2 )) 4.900 3.000 1.100 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 4.037 ppm2 2.217 CV 1 OR { 1674} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2391 and name HB3 )) OR { 1674} (( segid " " and resid 2387 and name HA2 )) (( segid " " and resid 2391 and name HB2 )) OR { 1674} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2391 and name HB2 )) ASSI { 1691} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name H )) 3.300 1.400 1.400 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 2.329 ppm2 8.359 CV 1 OR { 1691} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2430 and name H )) OR { 1691} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name H )) ASSI { 1698} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2416 and name HG3 )) 2.100 0.500 0.500 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.84125E-02 ppm1 2.636 ppm2 2.447 CV 1 OR { 1698} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2430 and name HB2 )) ASSI { 1700} (( segid " " and resid 2388 and name HG2 )) (( segid " " and resid 2388 and name HG3 )) 1.800 0.400 0.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16977E-01 ppm1 2.639 ppm2 2.535 CV 1 OR { 1700} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2430 and name HG3 )) ASSI { 1728} (( segid " " and resid 2390 and name HA )) (( segid " " and resid 2393 and name HB3 )) 3.500 1.600 1.600 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.60160E-03 ppm1 3.814 ppm2 1.474 CV 1 OR { 1728} (( segid " " and resid 2390 and name HA )) ( segid " " and resid 2305 and name HB% ) ASSI { 1731} (( segid " " and resid 2390 and name HB3 )) ( segid " " and resid 2302 and name HG2%) 4.700 2.700 1.300 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.11216E-03 ppm1 3.616 ppm2 1.335 CV 1 OR { 1731} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2393 and name HG )) OR { 1731} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2393 and name HG )) ASSI { 1738} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2392 and name H )) 4.900 3.000 1.100 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 3.617 ppm2 8.116 CV 1 OR { 1738} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2394 and name H )) OR { 1738} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2392 and name H )) ASSI { 1741} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2310 and name H )) 3.500 1.500 1.500 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 4.046 ppm2 8.357 CV 1 OR { 1741} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2395 and name H )) ASSI { 1742} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2391 and name H )) 3.100 1.200 1.200 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 4.047 ppm2 8.231 CV 1 OR { 1742} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2471 and name H )) ASSI { 1752} (( segid " " and resid 2392 and name HA2 )) ( segid " " and resid 2396 and name HB% ) 4.400 2.400 1.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.33649E-03 ppm1 3.926 ppm2 1.513 CV 1 OR { 1752} (( segid " " and resid 2392 and name HA2 )) ( segid " " and resid 2441 and name HB% ) ASSI { 1753} (( segid " " and resid 2392 and name HA3 )) ( segid " " and resid 2441 and name HB% ) 4.200 2.200 1.800 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.37728E-03 ppm1 4.021 ppm2 1.509 CV 1 OR { 1753} (( segid " " and resid 2392 and name HA3 )) ( segid " " and resid 2396 and name HB% ) ASSI { 1759} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2392 and name HA3 )) 3.600 1.600 1.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 3.835 ppm2 4.038 CV 1 OR { 1759} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2438 and name HA )) ASSI { 1763} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2394 and name HG13)) 5.000 3.100 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 3.833 ppm2 0.854 CV 1 OR { 1763} (( segid " " and resid 2393 and name HA )) ( segid " " and resid 2309 and name HD2%) ASSI { 1765} (( segid " " and resid 2393 and name HA )) ( segid " " and resid 2441 and name HB% ) 3.100 1.200 1.200 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.19067E-02 ppm1 3.833 ppm2 1.506 CV 1 OR { 1765} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2393 and name HB3 )) OR { 1765} (( segid " " and resid 2393 and name HA )) ( segid " " and resid 2396 and name HB% ) ASSI { 1767} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2394 and name HG13)) 5.700 4.000 0.300 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.14275E-03 ppm1 1.143 ppm2 0.856 CV 1 OR { 1767} (( segid " " and resid 2393 and name HB2 )) ( segid " " and resid 2309 and name HD2%) OR { 1767} (( segid " " and resid 2393 and name HB2 )) ( segid " " and resid 2394 and name HD1%) ASSI { 1772} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2393 and name HA )) 2.800 1.000 1.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 1.137 ppm2 3.829 CV 1 OR { 1772} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2390 and name HA )) ASSI { 1778} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2390 and name HA )) 3.000 1.100 1.100 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 1.503 ppm2 3.831 CV 1 OR { 1778} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2393 and name HA )) ASSI { 1782} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2394 and name HG13)) 4.100 2.100 1.900 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 1.499 ppm2 0.856 CV 1 OR { 1782} (( segid " " and resid 2393 and name HB3 )) ( segid " " and resid 2394 and name HD1%) OR { 1782} (( segid " " and resid 2393 and name HB3 )) ( segid " " and resid 2309 and name HD2%) ASSI { 1789} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2393 and name HB3 )) 3.500 1.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 1.337 ppm2 1.500 CV 1 OR { 1789} (( segid " " and resid 2393 and name HG )) ( segid " " and resid 2441 and name HB% ) ASSI { 1795} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2389 and name HZ3 )) 3.900 1.900 1.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 0.590 ppm2 7.138 CV 1 OR { 1795} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2445 and name H )) ASSI { 1797} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2442 and name H )) 4.000 2.000 2.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.65258E-03 ppm1 0.583 ppm2 7.974 CV 1 OR { 1797} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2441 and name H )) ASSI { 1801} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2441 and name HB% ) 3.300 1.300 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 0.588 ppm2 1.510 CV 1 OR { 1801} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name HB3 )) ASSI { 1817} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2390 and name HB3 )) 3.700 1.700 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 0.657 ppm2 3.628 CV 1 OR { 1817} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2390 and name HB2 )) OR { 1817} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2389 and name HB3 )) ASSI { 1829} (( segid " " and resid 2394 and name HB )) (( segid " " and resid 2393 and name HB3 )) 5.000 3.100 1.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 1.899 ppm2 1.484 CV 1 OR { 1829} (( segid " " and resid 2394 and name HB )) ( segid " " and resid 2397 and name HB% ) ASSI { 1841} ( segid " " and resid 2394 and name HG2%) ( segid " " and resid 2397 and name HB% ) 4.800 2.800 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 0.885 ppm2 1.476 CV 1 OR { 1841} ( segid " " and resid 2394 and name HG2%) ( segid " " and resid 2305 and name HB% ) ASSI { 1842} (( segid " " and resid 2394 and name HG13)) ( segid " " and resid 2305 and name HB% ) 5.000 3.100 1.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.10197E-03 ppm1 0.871 ppm2 1.473 CV 1 OR { 1842} (( segid " " and resid 2394 and name HG12)) ( segid " " and resid 2305 and name HB% ) OR { 1842} (( segid " " and resid 2394 and name HG13)) (( segid " " and resid 2393 and name HB3 )) ASSI { 1844} (( segid " " and resid 2394 and name HG13)) (( segid " " and resid 2391 and name HA )) 3.800 1.900 1.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.67300E-03 ppm1 0.868 ppm2 4.014 CV 1 OR { 1844} (( segid " " and resid 2394 and name HG13)) (( segid " " and resid 2305 and name HA )) ASSI { 1852} (( segid " " and resid 2395 and name HA )) ( segid " " and resid 2396 and name HB% ) 5.100 3.300 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 4.153 ppm2 1.483 CV 1 OR { 1852} (( segid " " and resid 2395 and name HA )) ( segid " " and resid 2397 and name HB% ) ASSI { 1865} (( segid " " and resid 2372 and name HA )) ( segid " " and resid 2371 and name HG2%) 4.000 2.000 2.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 4.284 ppm2 1.094 CV 1 OR { 1865} (( segid " " and resid 2403 and name HA )) ( segid " " and resid 2431 and name HG2%) ASSI { 1875} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name H )) 3.000 1.100 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.19578E-02 ppm1 4.072 ppm2 8.497 CV 1 OR { 1875} (( segid " " and resid 2429 and name HA )) (( segid " " and resid 2429 and name H )) ASSI { 1877} (( segid " " and resid 2470 and name HG )) (( segid " " and resid 2470 and name HA )) 3.000 1.100 1.100 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.753 ppm2 4.070 CV 1 OR { 1877} (( segid " " and resid 2309 and name HG )) (( segid " " and resid 2309 and name HA )) ASSI { 1950} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2438 and name HG )) 5.000 3.100 1.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.36707E-03 ppm1 1.070 ppm2 1.649 CV 1 OR { 1950} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2401 and name HB% ) ASSI { 1953} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2400 and name HG2%) 3.000 1.100 1.100 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.22024E-02 ppm1 1.071 ppm2 0.929 CV 1 OR { 1953} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2438 and name HD1%) ASSI { 1956} ( segid " " and resid 2431 and name HG1%) ( segid " " and resid 2432 and name HB% ) 4.500 2.600 1.500 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.33649E-03 ppm1 0.914 ppm2 1.660 CV 1 OR { 1956} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2359 and name HB3 )) ASSI { 1963} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2435 and name H )) 4.100 2.100 1.900 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 0.905 ppm2 8.150 CV 1 OR { 1963} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2435 and name H )) ASSI { 1968} (( segid " " and resid 2428 and name HA )) (( segid " " and resid 2429 and name H )) 3.000 1.100 1.100 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 4.051 ppm2 8.473 CV 1 OR { 1968} (( segid " " and resid 2401 and name HA )) (( segid " " and resid 2402 and name H )) ASSI { 1972} (( segid " " and resid 2432 and name HA )) ( segid " " and resid 2432 and name HB% ) 3.200 3.200 2.800 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 4.046 ppm2 1.660 CV 1 OR { 1972} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2428 and name HB% ) OR { 1972} (( segid " " and resid 2401 and name HA )) ( segid " " and resid 2401 and name HB% ) ASSI { 1974} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2316 and name HG13)) 4.800 2.900 1.200 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.17334E-03 ppm1 1.636 ppm2 0.984 CV 1 OR { 1974} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2316 and name HG13)) OR { 1974} ( segid " " and resid 2436 and name HB% ) ( segid " " and resid 2439 and name HD1%) ASSI { 1975} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2313 and name H )) 2.700 0.900 0.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 1.641 ppm2 8.146 CV 1 OR { 1975} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2316 and name H )) ASSI { 1978} (( segid " " and resid 2404 and name HA )) (( segid " " and resid 2404 and name HB )) 2.900 1.000 1.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 3.803 ppm2 4.404 CV 1 OR { 1978} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2435 and name HB )) ASSI { 1980} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2434 and name HB3 )) 3.700 1.700 1.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 3.799 ppm2 4.017 CV 1 OR { 1980} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2432 and name HA )) ASSI { 1982} (( segid " " and resid 2435 and name HA )) ( segid " " and resid 2436 and name HB% ) 4.600 2.600 1.400 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 3.801 ppm2 1.660 CV 1 OR { 1982} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2438 and name HG )) ASSI { 1988} (( segid " " and resid 2404 and name HA )) ( segid " " and resid 2431 and name HG1%) 4.800 2.900 1.200 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 3.802 ppm2 0.919 CV 1 OR { 1988} (( segid " " and resid 2435 and name HA )) ( segid " " and resid 2400 and name HG2%) ASSI { 1991} (( segid " " and resid 2435 and name HB )) ( segid " " and resid 2435 and name HG2%) 3.800 1.800 1.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 4.397 ppm2 1.310 CV 1 OR { 1991} (( segid " " and resid 2404 and name HB )) ( segid " " and resid 2356 and name HG2%) ASSI { 1996} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2402 and name H )) 4.600 2.600 1.400 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.35688E-03 ppm1 1.374 ppm2 8.519 CV 1 OR { 1996} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2434 and name H )) ASSI { 1998} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2401 and name HA )) 3.900 1.900 1.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 1.372 ppm2 4.022 CV 1 OR { 1998} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2356 and name HA )) ASSI { 2011} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2408 and name HA )) 3.200 1.300 1.300 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.23656E-02 ppm1 4.352 ppm2 4.052 CV 1 OR { 2011} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2428 and name HA )) ASSI { 2012} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2408 and name H )) 3.000 1.200 1.200 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 4.358 ppm2 8.557 CV 1 OR { 2012} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2408 and name H )) ASSI { 2015} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2407 and name H )) 3.000 1.100 1.100 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 4.353 ppm2 8.300 CV 1 OR { 2015} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2406 and name H )) ASSI { 2034} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2406 and name H )) 2.400 0.700 0.700 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.79537E-02 ppm1 4.538 ppm2 8.299 CV 1 OR { 2034} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2407 and name H )) ASSI { 2041} (( segid " " and resid 2461 and name HB2 )) ( segid " " and resid 2462 and name HB% ) 5.300 3.500 0.700 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.24472E-03 ppm1 2.950 ppm2 1.714 CV 1 OR { 2041} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2407 and name HB2 )) ASSI { 2042} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2461 and name HB3 )) 1.900 0.500 0.500 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.11838E-01 ppm1 2.957 ppm2 3.080 CV 1 OR { 2042} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2406 and name HB2 )) ASSI { 2043} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2458 and name HA )) 3.400 1.400 1.400 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 2.959 ppm2 4.296 CV 1 OR { 2043} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2403 and name HA )) ASSI { 2045} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2406 and name H )) 3.200 1.300 1.300 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.44355E-02 ppm1 2.971 ppm2 8.301 CV 1 OR { 2045} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2407 and name H )) ASSI { 2047} (( segid " " and resid 2406 and name HB2 )) (( segid " " and resid 2406 and name H )) 2.400 0.700 0.700 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.50881E-02 ppm1 3.080 ppm2 8.300 CV 1 OR { 2047} (( segid " " and resid 2406 and name HB2 )) (( segid " " and resid 2407 and name H )) ASSI { 2055} (( segid " " and resid 2461 and name HB3 )) ( segid " " and resid 2462 and name HB% ) 4.700 2.700 1.300 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 3.076 ppm2 1.712 CV 1 OR { 2055} (( segid " " and resid 2406 and name HB2 )) (( segid " " and resid 2407 and name HB2 )) ASSI { 2057} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2405 and name HB3 )) 2.600 0.900 0.900 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.66686E-02 ppm1 4.369 ppm2 2.987 CV 1 OR { 2057} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2408 and name HB2 )) ASSI { 2063} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2408 and name HA )) 4.100 2.100 1.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 2.296 ppm2 4.051 CV 1 OR { 2063} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2428 and name HA )) ASSI { 2071} (( segid " " and resid 2407 and name HB2 )) (( segid " " and resid 2428 and name HA )) 4.100 2.100 1.900 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 1.694 ppm2 4.045 CV 1 OR { 2071} (( segid " " and resid 2439 and name HB3 )) (( segid " " and resid 2457 and name HA )) ASSI { 2079} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HA )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 1.077 ppm2 4.071 CV 1 OR { 2079} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2428 and name HA )) ASSI { 2082} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name HG )) 3.000 1.100 1.100 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 1.078 ppm2 1.793 CV 1 OR { 2082} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HG )) OR { 2082} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HB2 )) ASSI { 2090} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2428 and name H )) 3.700 1.700 1.700 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.053 ppm2 8.268 CV 1 OR { 2090} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2410 and name H )) ASSI { 2098} (( segid " " and resid 2408 and name HB2 )) ( segid " " and resid 2353 and name HB% ) 4.800 2.900 1.200 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.15295E-03 ppm1 3.000 ppm2 1.372 CV 1 OR { 2098} (( segid " " and resid 2408 and name HB2 )) ( segid " " and resid 2411 and name HB% ) ASSI { 2102} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2319 and name HA )) 4.700 2.800 1.300 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.37728E-03 ppm1 3.010 ppm2 4.224 CV 1 OR { 2102} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2409 and name HA )) ASSI { 2109} (( segid " " and resid 2408 and name HB3 )) (( segid " " and resid 2409 and name HA )) 4.000 2.000 2.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 3.199 ppm2 4.213 CV 1 OR { 2109} (( segid " " and resid 2408 and name HB3 )) (( segid " " and resid 2319 and name HA )) ASSI { 2129} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2470 and name HD1%) 4.200 2.200 1.800 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 1.377 ppm2 1.057 CV 1 OR { 2129} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2407 and name HD2%) ASSI { 2147} (( segid " " and resid 2412 and name HB2 )) ( segid " " and resid 2326 and name HD2%) 4.400 2.400 1.600 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.19373E-03 ppm1 3.030 ppm2 0.940 CV 1 OR { 2147} (( segid " " and resid 2412 and name HB2 )) ( segid " " and resid 2323 and name HD1%) ASSI { 2182} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2342 and name HB3 )) 3.500 1.500 1.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.84634E-03 ppm1 1.186 ppm2 1.945 CV 1 OR { 2182} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2345 and name HB )) OR { 2182} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2326 and name HB3 )) ASSI { 2184} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2415 and name HG1%) 3.100 1.200 1.200 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 1.182 ppm2 1.074 CV 1 OR { 2184} ( segid " " and resid 2440 and name HG1%) ( segid " " and resid 2440 and name HG2%) ASSI { 2203} (( segid " " and resid 2416 and name HB3 )) (( segid " " and resid 2416 and name HB2 )) 2.700 2.700 3.300 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 2.074 ppm2 2.417 CV 1 OR { 2203} (( segid " " and resid 2422 and name HB2 )) (( segid " " and resid 2422 and name HG3 )) OR { 2203} (( segid " " and resid 2416 and name HB3 )) (( segid " " and resid 2416 and name HG3 )) ASSI { 2211} (( segid " " and resid 2344 and name HG3 )) (( segid " " and resid 2344 and name HG2 )) 2.000 0.500 0.500 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.82082E-02 ppm1 2.445 ppm2 2.625 CV 1 OR { 2211} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HG2 )) ASSI { 2280} (( segid " " and resid 2422 and name HA )) ( segid " " and resid 2425 and name HG2%) 5.300 3.500 0.700 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 4.104 ppm2 1.040 CV 1 OR { 2280} (( segid " " and resid 2429 and name HA )) ( segid " " and resid 2425 and name HG2%) OR { 2280} (( segid " " and resid 2429 and name HA )) ( segid " " and resid 2471 and name HG1%) ASSI { 2287} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HD3 )) 2.600 0.800 0.800 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.52104E-02 ppm1 1.678 ppm2 1.793 CV 1 OR { 2287} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HG2 )) OR { 2287} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HD2 )) OR { 2287} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HG3 )) ASSI { 2288} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HG3 )) 1.800 0.400 0.400 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.12317E-01 ppm1 1.674 ppm2 1.552 CV 1 OR { 2288} (( segid " " and resid 2443 and name HG3 )) (( segid " " and resid 2443 and name HG2 )) ASSI { 2293} (( segid " " and resid 2443 and name HD3 )) (( segid " " and resid 2443 and name HA )) 4.500 2.500 1.500 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.56081E-03 ppm1 1.794 ppm2 4.223 CV 1 OR { 2293} (( segid " " and resid 2443 and name HD2 )) (( segid " " and resid 2443 and name HA )) OR { 2293} (( segid " " and resid 2423 and name HD2 )) (( segid " " and resid 2423 and name HA )) OR { 2293} (( segid " " and resid 2423 and name HD3 )) (( segid " " and resid 2423 and name HA )) ASSI { 2296} (( segid " " and resid 2424 and name HB2 )) (( segid " " and resid 2424 and name HA )) 3.000 1.100 1.100 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 1.484 ppm2 3.983 CV 1 OR { 2296} (( segid " " and resid 2424 and name HB2 )) (( segid " " and resid 2421 and name HA )) ASSI { 2301} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2424 and name H )) 3.000 1.100 1.100 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 2.060 ppm2 8.199 CV 1 OR { 2301} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2456 and name H )) ASSI { 2303} (( segid " " and resid 2424 and name HG )) (( segid " " and resid 2424 and name HA )) 3.700 1.700 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.901 ppm2 3.980 CV 1 OR { 2303} (( segid " " and resid 2424 and name HG )) (( segid " " and resid 2421 and name HA )) ASSI { 2312} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HG )) 4.500 4.500 1.500 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.20393E-03 ppm1 0.988 ppm2 1.674 CV 1 OR { 2312} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2428 and name HB% ) OR { 2312} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name HB3 )) OR { 2312} ( segid " " and resid 2439 and name HD1%) ( segid " " and resid 2436 and name HB% ) ASSI { 2329} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2426 and name HB2 )) 4.200 2.200 1.800 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.72397E-03 ppm1 1.043 ppm2 4.102 CV 1 OR { 2329} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2422 and name HA )) OR { 2329} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HA )) ASSI { 2335} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HG2 )) 4.700 2.800 1.300 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 1.041 ppm2 1.551 CV 1 OR { 2335} ( segid " " and resid 2425 and name HG2%) ( segid " " and resid 2474 and name HB% ) ASSI { 2357} (( segid " " and resid 2425 and name HG13)) ( segid " " and resid 2425 and name HG2%) 3.800 1.800 1.800 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 1.131 ppm2 1.039 CV 1 OR { 2357} (( segid " " and resid 2425 and name HG12)) ( segid " " and resid 2425 and name HG2%) OR { 2357} (( segid " " and resid 2425 and name HG12)) ( segid " " and resid 2471 and name HG1%) ASSI { 2366} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2429 and name H )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 4.241 ppm2 8.470 CV 1 OR { 2366} (( segid " " and resid 2364 and name HA )) (( segid " " and resid 2367 and name H )) ASSI { 2370} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2431 and name HG2%) 3.900 1.900 1.900 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 4.037 ppm2 1.089 CV 1 OR { 2370} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2407 and name HD1%) ASSI { 2380} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2387 and name HA2 )) 2.900 1.100 1.100 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.32731E-02 ppm1 2.110 ppm2 4.043 CV 1 OR { 2380} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HD3 )) ASSI { 2413} (( segid " " and resid 2430 and name HG2 )) ( segid " " and resid 2403 and name HB% ) 4.100 2.100 1.900 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 2.637 ppm2 1.600 CV 1 OR { 2413} (( segid " " and resid 2430 and name HG2 )) ( segid " " and resid 2433 and name HB% ) ASSI { 2420} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2434 and name HB3 )) 3.600 1.600 1.600 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 3.599 ppm2 4.028 CV 1 OR { 2420} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2432 and name HA )) ASSI { 2428} (( segid " " and resid 2431 and name HB )) ( segid " " and resid 2432 and name HB% ) 5.400 3.700 0.600 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.17334E-03 ppm1 2.386 ppm2 1.666 CV 1 OR { 2428} (( segid " " and resid 2415 and name HB )) ( segid " " and resid 2414 and name HB% ) ASSI { 2444} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2431 and name H )) 4.200 2.200 1.800 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 0.915 ppm2 8.498 CV 1 OR { 2444} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2404 and name H )) ASSI { 2446} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2432 and name HA )) 3.300 1.300 1.300 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 0.916 ppm2 4.033 CV 1 OR { 2446} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2401 and name HA )) ASSI { 2468} (( segid " " and resid 2351 and name HB3 )) (( segid " " and resid 2351 and name H )) 3.300 1.400 1.400 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 4.087 ppm2 8.199 CV 1 OR { 2468} (( segid " " and resid 2426 and name HB2 )) (( segid " " and resid 2427 and name H )) OR { 2468} (( segid " " and resid 2426 and name HB3 )) (( segid " " and resid 2427 and name H )) ASSI { 2469} (( segid " " and resid 2404 and name HA )) (( segid " " and resid 2404 and name H )) 2.900 1.000 1.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 3.808 ppm2 8.467 CV 1 OR { 2469} (( segid " " and resid 2404 and name HA )) (( segid " " and resid 2405 and name H )) ASSI { 2470} (( segid " " and resid 2404 and name HA )) (( segid " " and resid 2407 and name H )) 3.400 1.500 1.500 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 3.804 ppm2 8.306 CV 1 OR { 2470} (( segid " " and resid 2404 and name HA )) (( segid " " and resid 2406 and name H )) ASSI { 2475} ( segid " " and resid 2435 and name HG2%) (( segid " " and resid 2359 and name HG )) 4.400 2.500 1.600 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 1.307 ppm2 1.613 CV 1 OR { 2475} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2355 and name HB% ) ASSI { 2476} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2400 and name HG2%) 4.500 2.500 1.500 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 1.308 ppm2 0.923 CV 1 OR { 2476} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2431 and name HG1%) ASSI { 2478} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2359 and name HD1%) 4.000 2.000 2.000 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 1.305 ppm2 1.026 CV 1 OR { 2478} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2352 and name HG2%) ASSI { 2483} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2440 and name H )) 2.700 0.900 0.900 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 4.151 ppm2 7.994 CV 1 OR { 2483} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2438 and name H )) ASSI { 2496} (( segid " " and resid 2438 and name HB3 )) ( segid " " and resid 2438 and name HD1%) 4.100 2.100 1.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.520 ppm2 0.930 CV 1 OR { 2496} (( segid " " and resid 2438 and name HB3 )) ( segid " " and resid 2400 and name HG2%) ASSI { 2498} (( segid " " and resid 2438 and name HB2 )) ( segid " " and resid 2400 and name HG1%) 4.200 4.200 1.800 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.17334E-03 ppm1 2.157 ppm2 1.062 CV 1 OR { 2498} (( segid " " and resid 2470 and name HB3 )) ( segid " " and resid 2470 and name HD1%) ASSI { 2500} (( segid " " and resid 2438 and name HB2 )) ( segid " " and resid 2438 and name HD1%) 3.400 1.400 1.400 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 2.157 ppm2 0.927 CV 1 OR { 2500} (( segid " " and resid 2438 and name HB2 )) ( segid " " and resid 2400 and name HG2%) ASSI { 2501} (( segid " " and resid 2470 and name HB3 )) (( segid " " and resid 2471 and name H )) 3.400 1.400 1.400 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 2.156 ppm2 8.227 CV 1 OR { 2501} (( segid " " and resid 2438 and name HB2 )) (( segid " " and resid 2439 and name H )) ASSI { 2513} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2397 and name HB% ) 3.200 1.300 1.300 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 0.948 ppm2 1.502 CV 1 OR { 2513} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2396 and name HB% ) OR { 2513} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name HB3 )) ASSI { 2532} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name HB3 )) 3.200 1.300 1.300 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 0.904 ppm2 1.505 CV 1 OR { 2532} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2397 and name HB% ) ASSI { 2546} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2442 and name H )) 3.100 1.200 1.200 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 3.970 ppm2 7.987 CV 1 OR { 2546} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2440 and name H )) ASSI { 2561} (( segid " " and resid 2439 and name HG )) ( segid " " and resid 2439 and name HD1%) 2.900 1.100 1.100 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.847 ppm2 0.989 CV 1 OR { 2561} (( segid " " and resid 2439 and name HG )) ( segid " " and resid 2359 and name HD1%) ASSI { 2568} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2459 and name H )) 4.000 2.000 2.000 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 0.921 ppm2 8.205 CV 1 OR { 2568} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2439 and name H )) ASSI { 2576} ( segid " " and resid 2439 and name HD2%) ( segid " " and resid 2456 and name HD2%) 2.800 1.000 1.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.30896E-02 ppm1 0.918 ppm2 1.006 CV 1 OR { 2576} ( segid " " and resid 2439 and name HD2%) ( segid " " and resid 2359 and name HD1%) ASSI { 2581} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2440 and name H )) 2.600 0.800 0.800 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.48536E-02 ppm1 3.691 ppm2 7.985 CV 1 OR { 2581} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2441 and name H )) ASSI { 2589} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2441 and name H )) 2.400 0.700 0.700 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.77695E-02 ppm1 1.521 ppm2 7.986 CV 1 OR { 2589} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2442 and name H )) ASSI { 2592} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2438 and name HA )) 2.800 1.000 1.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 1.513 ppm2 4.049 CV 1 OR { 2592} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2438 and name HA )) ASSI { 2596} ( segid " " and resid 2396 and name HB% ) ( segid " " and resid 2438 and name HD1%) 3.800 1.800 1.800 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.57101E-03 ppm1 1.511 ppm2 0.942 CV 1 OR { 2596} ( segid " " and resid 2441 and name HB% ) ( segid " " and resid 2438 and name HD1%) ASSI { 2607} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2363 and name HB% ) 4.400 2.500 1.600 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.20393E-03 ppm1 2.844 ppm2 1.582 CV 1 OR { 2607} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2366 and name HB% ) ASSI { 2608} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2441 and name HB% ) 5.000 3.200 1.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 2.846 ppm2 1.493 CV 1 OR { 2608} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2446 and name HB% ) ASSI { 2610} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2438 and name HD1%) 4.600 2.700 1.400 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.17334E-03 ppm1 2.842 ppm2 0.913 CV 1 OR { 2610} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2439 and name HD2%) ASSI { 2614} (( segid " " and resid 2442 and name HB3 )) (( segid " " and resid 2439 and name HB3 )) 4.000 2.000 2.000 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 3.055 ppm2 1.687 CV 1 OR { 2614} (( segid " " and resid 2442 and name HB3 )) (( segid " " and resid 2456 and name HG )) ASSI { 2615} (( segid " " and resid 2442 and name HB3 )) ( segid " " and resid 2366 and name HB% ) 4.900 3.000 1.100 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.19373E-03 ppm1 3.053 ppm2 1.589 CV 1 OR { 2615} (( segid " " and resid 2442 and name HB3 )) ( segid " " and resid 2363 and name HB% ) ASSI { 2626} (( segid " " and resid 2303 and name HA )) (( segid " " and resid 2302 and name HA )) 4.000 2.000 2.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.50983E-03 ppm1 4.007 ppm2 4.238 CV 1 OR { 2626} (( segid " " and resid 2444 and name HA )) (( segid " " and resid 2443 and name HA )) ASSI { 2631} ( segid " " and resid 2444 and name HG1%) ( segid " " and resid 2444 and name HG2%) 3.000 1.100 1.100 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 1.101 ppm2 1.282 CV 1 OR { 2631} ( segid " " and resid 2444 and name HG1%) (( segid " " and resid 2445 and name HD3 )) ASSI { 2634} ( segid " " and resid 2444 and name HG2%) (( segid " " and resid 2441 and name HA )) 3.200 1.200 1.200 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 1.272 ppm2 4.366 CV 1 OR { 2634} ( segid " " and resid 2299 and name HG2%) (( segid " " and resid 2299 and name HA )) ASSI { 2640} (( segid " " and resid 2445 and name HB2 )) ( segid " " and resid 2376 and name HG2%) 4.500 2.600 1.500 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.27531E-03 ppm1 1.496 ppm2 0.822 CV 1 OR { 2640} (( segid " " and resid 2445 and name HB2 )) ( segid " " and resid 2370 and name HD2%) OR { 2640} (( segid " " and resid 2445 and name HB2 )) ( segid " " and resid 2370 and name HD1%) ASSI { 2663} (( segid " " and resid 2445 and name HD3 )) ( segid " " and resid 2376 and name HG2%) 3.900 1.900 1.900 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.43845E-03 ppm1 1.262 ppm2 0.815 CV 1 OR { 2663} (( segid " " and resid 2445 and name HD3 )) ( segid " " and resid 2370 and name HD2%) ASSI { 2671} (( segid " " and resid 2445 and name HD2 )) (( segid " " and resid 2445 and name HG3 )) 4.100 2.200 1.900 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 0.967 ppm2 0.796 CV 1 OR { 2671} (( segid " " and resid 2345 and name HG12)) ( segid " " and resid 2345 and name HG2%) ASSI { 2680} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2389 and name HA )) 5.400 3.700 0.600 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 2.575 ppm2 4.455 CV 1 OR { 2680} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HA )) OR { 2680} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HA )) OR { 2680} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2389 and name HA )) ASSI { 2697} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2453 and name HB2 )) 3.600 1.600 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 4.812 ppm2 2.193 CV 1 OR { 2697} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2448 and name HB3 )) ASSI { 2715} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2447 and name H )) 3.600 1.600 1.600 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 4.020 ppm2 8.486 CV 1 OR { 2715} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2449 and name H )) ASSI { 2753} (( segid " " and resid 2465 and name HB3 )) (( segid " " and resid 2465 and name HD2 )) 3.900 1.900 1.900 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 1.982 ppm2 3.332 CV 1 OR { 2753} (( segid " " and resid 2465 and name HB2 )) (( segid " " and resid 2465 and name HD2 )) OR { 2753} (( segid " " and resid 2465 and name HB3 )) (( segid " " and resid 2465 and name HD3 )) OR { 2753} (( segid " " and resid 2455 and name HB2 )) (( segid " " and resid 2455 and name HD3 )) OR { 2753} (( segid " " and resid 2465 and name HB2 )) (( segid " " and resid 2465 and name HD3 )) ASSI { 2780} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name HG )) 3.000 1.200 1.200 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 1.007 ppm2 1.780 CV 1 OR { 2780} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name HB2 )) OR { 2780} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HB2 )) ASSI { 2781} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HG )) 3.500 1.600 1.600 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.73415E-03 ppm1 1.001 ppm2 1.672 CV 1 OR { 2781} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2428 and name HB% ) OR { 2781} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name HB3 )) ASSI { 2782} ( segid " " and resid 2456 and name HD2%) ( segid " " and resid 2363 and name HB% ) 3.100 1.200 1.200 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 1.014 ppm2 1.591 CV 1 OR { 2782} ( segid " " and resid 2456 and name HD2%) ( segid " " and resid 2362 and name HB% ) ASSI { 2790} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2459 and name H )) 3.300 1.300 1.300 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 4.303 ppm2 8.197 CV 1 OR { 2790} (( segid " " and resid 2315 and name HA )) (( segid " " and resid 2316 and name H )) ASSI { 2794} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2462 and name H )) 3.600 1.600 1.600 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 3.708 ppm2 7.989 CV 1 OR { 2794} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2464 and name H )) ASSI { 2797} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2459 and name HB% ) 4.900 2.900 1.100 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 3.702 ppm2 1.628 CV 1 OR { 2797} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2359 and name HG )) OR { 2797} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2436 and name HB% ) ASSI { 2798} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2463 and name HG2%) 3.500 1.500 1.500 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 3.711 ppm2 1.166 CV 1 OR { 2798} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2359 and name HD2%) ASSI { 2799} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2439 and name HD1%) 3.200 1.200 1.200 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 3.707 ppm2 1.005 CV 1 OR { 2799} (( segid " " and resid 2460 and name HA2 )) ( segid " " and resid 2359 and name HD1%) ASSI { 2801} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2436 and name HB% ) 5.000 3.100 1.000 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.23452E-03 ppm1 3.825 ppm2 1.628 CV 1 OR { 2801} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2459 and name HB% ) ASSI { 2802} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2359 and name HD2%) 5.200 3.400 0.800 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.27531E-03 ppm1 3.826 ppm2 1.168 CV 1 OR { 2802} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2463 and name HG2%) ASSI { 2803} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2439 and name HD1%) 3.300 1.300 1.300 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.74433E-03 ppm1 3.823 ppm2 1.004 CV 1 OR { 2803} (( segid " " and resid 2460 and name HA3 )) ( segid " " and resid 2359 and name HD1%) ASSI { 2809} (( segid " " and resid 2460 and name HA3 )) (( segid " " and resid 2462 and name H )) 4.200 2.200 1.800 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 3.833 ppm2 7.988 CV 1 OR { 2809} (( segid " " and resid 2460 and name HA3 )) (( segid " " and resid 2464 and name H )) ASSI { 2824} (( segid " " and resid 2463 and name HA )) ( segid " " and resid 2463 and name HG1%) 2.900 1.000 1.000 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 3.513 ppm2 0.994 CV 1 OR { 2824} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2352 and name HG12)) ASSI { 2829} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2466 and name HA )) 4.500 2.500 1.500 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 3.509 ppm2 4.378 CV 1 OR { 2829} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2435 and name HB )) ASSI { 2834} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2464 and name H )) 2.900 1.000 1.000 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 3.513 ppm2 7.984 CV 1 OR { 2834} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2466 and name H )) ASSI { 2841} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2435 and name HG2%) 3.300 1.400 1.400 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 0.995 ppm2 1.298 CV 1 OR { 2841} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2356 and name HG2%) ASSI { 2851} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2464 and name H )) 4.200 2.200 1.800 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.89731E-03 ppm1 1.172 ppm2 7.992 CV 1 OR { 2851} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2462 and name H )) ASSI { 2886} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HE3 )) 3.600 1.600 1.600 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 1.522 ppm2 3.060 CV 1 OR { 2886} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HE2 )) OR { 2886} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE2 )) OR { 2886} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE3 )) ASSI { 2890} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2464 and name HG2 )) 1.600 0.300 0.600 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.24033E-01 ppm1 1.614 ppm2 1.531 CV 1 OR { 2890} (( segid " " and resid 2476 and name HG2 )) (( segid " " and resid 2476 and name HG3 )) ASSI { 2895} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HE2 )) 3.800 1.800 1.800 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 1.733 ppm2 3.070 CV 1 OR { 2895} (( segid " " and resid 2464 and name HD2 )) (( segid " " and resid 2464 and name HE3 )) OR { 2895} (( segid " " and resid 2464 and name HD2 )) (( segid " " and resid 2464 and name HE2 )) OR { 2895} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HE3 )) OR { 2895} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2321 and name HE2 )) ASSI { 2912} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2469 and name H )) 3.100 1.200 1.200 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 4.476 ppm2 8.092 CV 1 OR { 2912} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2470 and name H )) ASSI { 2934} (( segid " " and resid 2469 and name HA )) (( segid " " and resid 2472 and name HB2 )) 3.100 1.200 1.200 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 4.579 ppm2 1.998 CV 1 OR { 2934} (( segid " " and resid 2307 and name HA )) (( segid " " and resid 2310 and name HB3 )) ASSI { 2941} (( segid " " and resid 2469 and name HB3 )) (( segid " " and resid 2469 and name H )) 2.400 0.700 0.700 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.58120E-02 ppm1 3.139 ppm2 8.092 CV 1 OR { 2941} (( segid " " and resid 2469 and name HB3 )) (( segid " " and resid 2470 and name H )) ASSI { 2952} (( segid " " and resid 2470 and name HG )) (( segid " " and resid 2471 and name H )) 4.400 2.400 1.600 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.44865E-03 ppm1 1.769 ppm2 8.251 CV 1 OR { 2952} (( segid " " and resid 2309 and name HG )) (( segid " " and resid 2364 and name H )) ASSI { 2964} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2472 and name H )) 3.300 1.400 1.400 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 3.464 ppm2 7.956 CV 1 OR { 2964} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2473 and name H )) ASSI { 2969} (( segid " " and resid 2471 and name HA )) ( segid " " and resid 2471 and name HG1%) 3.100 1.200 1.200 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 3.463 ppm2 1.018 CV 1 OR { 2969} (( segid " " and resid 2471 and name HA )) ( segid " " and resid 2425 and name HG2%) ASSI { 2970} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2470 and name HG )) 3.800 1.800 1.800 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.61179E-03 ppm1 3.461 ppm2 1.790 CV 1 OR { 2970} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2429 and name HG3 )) ASSI { 2983} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2475 and name H )) 4.600 2.600 1.400 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 1.017 ppm2 8.096 CV 1 OR { 2983} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2300 and name H )) ASSI { 2995} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2429 and name HE2 )) 4.400 2.400 1.600 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 1.021 ppm2 2.956 CV 1 OR { 2995} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2429 and name HE3 )) OR { 2995} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2300 and name HB3 )) ASSI { 2997} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2471 and name HB )) 2.600 0.800 0.800 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.44253E-02 ppm1 1.021 ppm2 2.325 CV 1 OR { 2997} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2303 and name HB )) ASSI { 3001} ( segid " " and resid 2471 and name HG1%) ( segid " " and resid 2474 and name HB% ) 4.700 2.700 1.300 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.28550E-03 ppm1 1.019 ppm2 1.586 CV 1 OR { 3001} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2304 and name HG12)) ASSI { 3003} ( segid " " and resid 2471 and name HG2%) ( segid " " and resid 2471 and name HG1%) 2.800 1.000 1.000 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 1.225 ppm2 1.019 CV 1 OR { 3003} ( segid " " and resid 2471 and name HG2%) ( segid " " and resid 2425 and name HG2%) ASSI { 3006} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HG2 )) 3.800 1.800 1.800 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.225 ppm2 1.556 CV 1 OR { 3006} ( segid " " and resid 2471 and name HG2%) ( segid " " and resid 2474 and name HB% ) ASSI { 3009} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HB2 )) 3.200 1.300 1.300 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.67300E-03 ppm1 1.225 ppm2 1.998 CV 1 OR { 3009} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2425 and name HB )) ASSI { 3019} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name H )) 2.500 0.800 0.800 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.52410E-02 ppm1 4.141 ppm2 7.956 CV 1 OR { 3019} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2473 and name H )) ASSI { 3035} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2476 and name H )) 3.000 1.100 1.100 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 4.170 ppm2 7.722 CV 1 OR { 3035} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2477 and name H )) ASSI { 3047} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2475 and name HA )) 2.800 1.000 1.000 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.44355E-02 ppm1 2.286 ppm2 4.162 CV 1 OR { 3047} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2472 and name HA )) ASSI { 3051} (( segid " " and resid 2475 and name HB3 )) (( segid " " and resid 2475 and name HG2 )) 3.000 1.100 1.100 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 2.173 ppm2 2.458 CV 1 OR { 3051} (( segid " " and resid 2421 and name HB3 )) (( segid " " and resid 2421 and name HG2 )) OR { 3051} (( segid " " and resid 2421 and name HB3 )) (( segid " " and resid 2421 and name HG3 )) ASSI { 3063} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name HE21)) 3.400 1.400 1.400 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 2.460 ppm2 6.769 CV 1 OR { 3063} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HE22)) ASSI { 3075} (( segid " " and resid 2476 and name HB3 )) (( segid " " and resid 2476 and name H )) 2.800 1.000 1.000 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.28347E-02 ppm1 1.897 ppm2 7.720 CV 1 OR { 3075} (( segid " " and resid 2476 and name HB2 )) (( segid " " and resid 2476 and name H )) OR { 3075} (( segid " " and resid 2476 and name HB2 )) (( segid " " and resid 2477 and name H )) ASSI { 3081} (( segid " " and resid 2478 and name HA )) (( segid " " and resid 2479 and name H )) 2.400 0.700 0.700 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.10319E-01 ppm1 4.274 ppm2 7.810 CV 1 OR { 3081} (( segid " " and resid 2478 and name HA )) (( segid " " and resid 2478 and name H )) ASSI { 3102} ( segid " " and resid 2478 and name HB% ) (( segid " " and resid 2479 and name H )) 2.600 0.800 0.800 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.51595E-02 ppm1 1.414 ppm2 7.809 CV 1 OR { 3102} ( segid " " and resid 2478 and name HB% ) (( segid " " and resid 2478 and name H )) ASSI { 3262} (( segid " " and resid 2434 and name HA )) ( segid " " and resid 2433 and name HB% ) 4.600 2.600 1.400 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.33649E-03 ppm1 4.325 ppm2 1.613 CV 1 OR { 3262} (( segid " " and resid 2434 and name HA )) ( segid " " and resid 2403 and name HB% ) ASSI { 3266} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2400 and name HB )) 4.200 2.200 1.800 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 3.894 ppm2 2.304 CV 1 OR { 3266} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2399 and name HB3 )) OR { 3266} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2437 and name HB2 )) ASSI { 3276} (( segid " " and resid 2434 and name HB3 )) (( segid " " and resid 2399 and name HB3 )) 3.600 1.600 1.600 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 4.010 ppm2 2.316 CV 1 OR { 3276} (( segid " " and resid 2434 and name HB3 )) (( segid " " and resid 2437 and name HB2 )) ASSI { 78} (( segid " " and resid 2304 and name H )) ( segid " " and resid 2303 and name HG1%) 4.100 2.100 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.718 ppm2 1.023 CV 1 OR { 78} (( segid " " and resid 2304 and name H )) ( segid " " and resid 2304 and name HG2%) ASSI { 109} (( segid " " and resid 2307 and name H )) ( segid " " and resid 2304 and name HG2%) 4.700 2.700 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.21030E-03 ppm1 8.265 ppm2 1.023 CV 1 OR { 109} (( segid " " and resid 2307 and name H )) ( segid " " and resid 2303 and name HG1%) ASSI { 121} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2308 and name HG2 )) 3.400 1.400 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.74413E-03 ppm1 8.593 ppm2 2.349 CV 1 OR { 121} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2328 and name HB3 )) ASSI { 125} (( segid " " and resid 2308 and name H )) ( segid " " and resid 2305 and name HB% ) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.61472E-04 ppm1 8.592 ppm2 1.473 CV 1 OR { 125} (( segid " " and resid 2329 and name H )) ( segid " " and resid 2330 and name HB% ) ASSI { 133} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2309 and name HB2 )) 3.100 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 8.558 ppm2 2.073 CV 1 OR { 133} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2308 and name HB3 )) ASSI { 139} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2309 and name H )) 4.200 2.200 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.32677E-03 ppm1 8.365 ppm2 8.584 CV 1 OR { 139} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2308 and name H )) ASSI { 151} (( segid " " and resid 2312 and name H )) (( segid " " and resid 2308 and name HA )) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 8.120 ppm2 4.231 CV 1 OR { 151} (( segid " " and resid 2312 and name H )) (( segid " " and resid 2310 and name HA )) ASSI { 168} (( segid " " and resid 2313 and name H )) ( segid " " and resid 2313 and name HB% ) 3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 8.151 ppm2 1.613 CV 1 OR { 168} (( segid " " and resid 2354 and name H )) ( segid " " and resid 2354 and name HB% ) ASSI { 172} (( segid " " and resid 2313 and name H )) (( segid " " and resid 2316 and name HG13)) 4.500 2.600 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.33648E-03 ppm1 8.154 ppm2 0.989 CV 1 OR { 172} (( segid " " and resid 2313 and name H )) ( segid " " and resid 2310 and name HD1%) ASSI { 173} (( segid " " and resid 2313 and name H )) ( segid " " and resid 2316 and name HD1%) 5.100 3.200 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 8.154 ppm2 0.852 CV 1 OR { 173} (( segid " " and resid 2313 and name H )) ( segid " " and resid 2309 and name HD2%) ASSI { 177} (( segid " " and resid 2314 and name H )) ( segid " " and resid 2314 and name HB% ) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.31707E-02 ppm1 8.232 ppm2 1.640 CV 1 OR { 177} (( segid " " and resid 2314 and name H )) ( segid " " and resid 2313 and name HB% ) ASSI { 195} (( segid " " and resid 2339 and name H )) ( segid " " and resid 2339 and name HD1%) 5.900 4.400 0.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.10353E-03 ppm1 8.090 ppm2 1.005 CV 1 OR { 195} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2316 and name HG13)) OR { 195} (( segid " " and resid 2470 and name H )) ( segid " " and resid 2470 and name HD2%) ASSI { 196} (( segid " " and resid 2339 and name H )) ( segid " " and resid 2339 and name HD1%) 4.800 2.900 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.30412E-03 ppm1 8.071 ppm2 0.981 CV 1 OR { 196} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2316 and name HG13)) ASSI { 206} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2316 and name H )) 3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14365E-02 ppm1 8.347 ppm2 8.142 CV 1 OR { 206} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2318 and name H )) OR { 206} (( segid " " and resid 2384 and name H )) (( segid " " and resid 2385 and name H )) ASSI { 211} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2406 and name HA )) 3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 8.330 ppm2 4.551 CV 1 OR { 211} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2307 and name HA )) ASSI { 213} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2310 and name HA )) 3.000 1.100 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 8.330 ppm2 4.213 CV 1 OR { 213} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2409 and name HA )) ASSI { 223} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2309 and name HB2 )) 3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.11809E-02 ppm1 8.340 ppm2 2.036 CV 1 OR { 223} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2316 and name HB )) ASSI { 229} (( segid " " and resid 2310 and name H )) ( segid " " and resid 2309 and name HD2%) 6.000 5.300 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.74413E-04 ppm1 8.347 ppm2 0.853 CV 1 OR { 229} (( segid " " and resid 2310 and name H )) ( segid " " and resid 2309 and name HD1%) OR { 229} (( segid " " and resid 2317 and name H )) ( segid " " and resid 2316 and name HD1%) ASSI { 231} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name H )) 2.900 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.19121E-02 ppm1 8.148 ppm2 8.340 CV 1 OR { 231} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2384 and name H )) ASSI { 241} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2481 and name HA )) 2.400 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.64060E-02 ppm1 7.979 ppm2 4.460 CV 1 OR { 241} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2482 and name HA )) ASSI { 276} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2475 and name HB3 )) 4.400 2.500 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.33001E-03 ppm1 7.814 ppm2 2.184 CV 1 OR { 276} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2421 and name HB3 )) ASSI { 281} (( segid " " and resid 2479 and name H )) ( segid " " and resid 2479 and name HB% ) 3.300 1.400 1.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14527E-02 ppm1 7.819 ppm2 1.316 CV 1 OR { 281} (( segid " " and resid 2478 and name H )) ( segid " " and resid 2477 and name HB% ) ASSI { 288} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2443 and name H )) 5.300 3.500 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11324E-03 ppm1 7.827 ppm2 8.166 CV 1 OR { 288} (( segid " " and resid 2479 and name H )) (( segid " " and resid 2481 and name H )) ASSI { 294} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2474 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.34813E-02 ppm1 7.692 ppm2 4.226 CV 1 OR { 294} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2476 and name HA )) ASSI { 331} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2476 and name H )) 4.700 2.700 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.22000E-03 ppm1 8.669 ppm2 7.718 CV 1 OR { 331} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2477 and name H )) ASSI { 332} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2474 and name HA )) 2.900 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 8.668 ppm2 4.246 CV 1 OR { 332} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2473 and name HA )) ASSI { 340} (( segid " " and resid 2474 and name H )) ( segid " " and resid 2474 and name HB% ) 3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15789E-02 ppm1 8.668 ppm2 1.576 CV 1 OR { 340} (( segid " " and resid 2474 and name H )) ( segid " " and resid 2473 and name HB% ) ASSI { 341} (( segid " " and resid 2474 and name H )) ( segid " " and resid 2471 and name HG1%) 5.300 3.500 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.12618E-03 ppm1 8.671 ppm2 1.008 CV 1 OR { 341} (( segid " " and resid 2474 and name H )) ( segid " " and resid 2424 and name HD2%) ASSI { 368} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2475 and name HG3 )) 4.300 2.300 1.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.27501E-03 ppm1 7.969 ppm2 2.720 CV 1 OR { 368} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2468 and name HB3 )) ASSI { 386} (( segid " " and resid 2471 and name H )) ( segid " " and resid 2474 and name HB% ) 5.100 3.200 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 8.251 ppm2 1.565 CV 1 OR { 386} (( segid " " and resid 2471 and name H )) ( segid " " and resid 2473 and name HB% ) ASSI { 389} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2472 and name H )) 4.200 2.200 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.34295E-03 ppm1 8.100 ppm2 7.957 CV 1 OR { 389} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2473 and name H )) ASSI { 390} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2471 and name H )) 3.400 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.75063E-03 ppm1 8.104 ppm2 8.250 CV 1 OR { 390} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2314 and name H )) ASSI { 391} (( segid " " and resid 2394 and name H )) (( segid " " and resid 2395 and name H )) 3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.15077E-02 ppm1 8.104 ppm2 8.379 CV 1 OR { 391} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2468 and name H )) ASSI { 447} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2464 and name H )) 2.600 0.800 0.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 8.132 ppm2 7.987 CV 1 OR { 447} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2466 and name H )) ASSI { 458} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2465 and name HG3 )) 4.400 2.500 1.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.38500E-03 ppm1 8.134 ppm2 1.731 CV 1 OR { 458} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2464 and name HD2 )) ASSI { 463} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2463 and name H )) 3.100 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.89945E-03 ppm1 8.010 ppm2 8.236 CV 1 OR { 463} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2439 and name H )) ASSI { 469} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2438 and name HB2 )) 2.900 1.000 1.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.17503E-02 ppm1 8.013 ppm2 2.151 CV 1 OR { 469} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2464 and name HB3 )) ASSI { 471} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2464 and name HD3 )) 5.500 3.800 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.15530E-03 ppm1 8.015 ppm2 1.857 CV 1 OR { 471} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2439 and name HG )) ASSI { 472} (( segid " " and resid 2464 and name H )) ( segid " " and resid 2432 and name HB% ) 5.300 3.500 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.17795E-03 ppm1 8.017 ppm2 1.665 CV 1 OR { 472} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2438 and name HG )) OR { 472} (( segid " " and resid 2438 and name H )) ( segid " " and resid 2436 and name HB% ) ASSI { 473} (( segid " " and resid 2438 and name H )) ( segid " " and resid 2439 and name HD1%) 4.700 2.700 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.23618E-03 ppm1 8.010 ppm2 0.994 CV 1 OR { 473} (( segid " " and resid 2464 and name H )) ( segid " " and resid 2463 and name HG1%) ASSI { 476} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2464 and name H )) 2.600 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 8.260 ppm2 7.984 CV 1 OR { 476} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2462 and name H )) ASSI { 478} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2461 and name HA )) 4.700 2.800 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.15206E-03 ppm1 8.255 ppm2 4.600 CV 1 OR { 478} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2469 and name HA )) ASSI { 509} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2408 and name H )) 3.100 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 8.331 ppm2 8.562 CV 1 OR { 509} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2309 and name H )) ASSI { 515} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2409 and name HB2 )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.88974E-03 ppm1 8.354 ppm2 2.201 CV 1 OR { 515} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2317 and name HB2 )) OR { 515} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2317 and name HB3 )) ASSI { 524} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2321 and name HB3 )) 4.400 2.400 1.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.32677E-03 ppm1 7.828 ppm2 2.067 CV 1 OR { 524} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2316 and name HB )) ASSI { 542} (( segid " " and resid 2394 and name H )) (( segid " " and resid 2393 and name H )) 3.000 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 8.132 ppm2 7.617 CV 1 OR { 542} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2322 and name H )) ASSI { 543} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2443 and name HA )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.90267E-03 ppm1 8.136 ppm2 4.226 CV 1 OR { 543} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2318 and name HA )) ASSI { 546} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2443 and name HB3 )) 3.000 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 8.135 ppm2 2.042 CV 1 OR { 546} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2321 and name HB3 )) OR { 546} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2443 and name HB2 )) ASSI { 553} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2321 and name HB3 )) 2.300 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.50407E-02 ppm1 7.625 ppm2 2.038 CV 1 OR { 553} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2322 and name HB2 )) ASSI { 582} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2322 and name HA )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.23586E-02 ppm1 7.586 ppm2 4.134 CV 1 OR { 582} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2324 and name HA )) ASSI { 608} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2330 and name HA )) 2.400 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.61666E-02 ppm1 8.235 ppm2 4.383 CV 1 OR { 608} (( segid " " and resid 2327 and name H )) (( segid " " and resid 2326 and name HA )) ASSI { 610} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2420 and name HB2 )) 4.000 2.000 2.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.50148E-03 ppm1 8.212 ppm2 4.101 CV 1 OR { 610} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2422 and name HA )) ASSI { 611} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2424 and name HA )) 3.000 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 8.213 ppm2 3.976 CV 1 OR { 611} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2421 and name HA )) ASSI { 620} (( segid " " and resid 2424 and name H )) ( segid " " and resid 2424 and name HD2%) 5.500 3.700 0.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.19736E-03 ppm1 8.216 ppm2 0.998 CV 1 OR { 620} (( segid " " and resid 2327 and name H )) ( segid " " and resid 2326 and name HD1%) ASSI { 623} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2424 and name HB2 )) 3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.85411E-03 ppm1 8.210 ppm2 1.516 CV 1 OR { 623} (( segid " " and resid 2327 and name H )) (( segid " " and resid 2326 and name HB2 )) ASSI { 624} (( segid " " and resid 2327 and name H )) (( segid " " and resid 2327 and name HB3 )) 4.000 2.000 2.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 8.207 ppm2 1.907 CV 1 OR { 624} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HB3 )) ASSI { 627} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2330 and name H )) 5.300 3.500 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11324E-03 ppm1 8.590 ppm2 8.348 CV 1 OR { 627} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2310 and name H )) ASSI { 631} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2308 and name HB3 )) 4.400 2.400 1.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.51765E-03 ppm1 8.590 ppm2 2.048 CV 1 OR { 631} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2328 and name HB2 )) ASSI { 635} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name HA )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.52025E-02 ppm1 8.355 ppm2 4.372 CV 1 OR { 635} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2330 and name HA )) ASSI { 636} (( segid " " and resid 2327 and name H )) (( segid " " and resid 2326 and name HB3 )) 3.200 1.200 1.200 peak 636 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 8.236 ppm2 1.920 CV 1 OR { 636} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HB3 )) ASSI { 639} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HA )) 3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15789E-02 ppm1 8.439 ppm2 4.329 CV 1 OR { 639} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HA )) ASSI { 656} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name HA )) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.88451E-02 ppm1 8.275 ppm2 4.375 CV 1 OR { 656} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2335 and name HA )) ASSI { 658} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name HG3 )) 4.700 2.700 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.273 ppm2 2.378 CV 1 OR { 658} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name HG2 )) OR { 658} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2409 and name HG2 )) ASSI { 659} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2409 and name HB2 )) 2.900 1.100 1.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 8.269 ppm2 2.217 CV 1 OR { 659} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name HB3 )) ASSI { 673} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2335 and name HA )) 2.900 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.30639E-02 ppm1 8.202 ppm2 4.371 CV 1 OR { 673} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2341 and name HA )) ASSI { 680} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2343 and name HB2 )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.28277E-02 ppm1 8.216 ppm2 2.162 CV 1 OR { 680} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2344 and name HB3 )) ASSI { 701} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2338 and name HA )) 2.400 0.700 0.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.67199E-02 ppm1 8.070 ppm2 4.444 CV 1 OR { 701} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2339 and name HA )) ASSI { 748} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2344 and name HG2 )) 4.800 2.900 1.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 8.264 ppm2 2.607 CV 1 OR { 748} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2342 and name HG2 )) ASSI { 755} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2343 and name H )) 3.300 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.85089E-03 ppm1 8.220 ppm2 8.292 CV 1 OR { 755} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2335 and name H )) OR { 755} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2345 and name H )) ASSI { 756} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2344 and name HE21)) 5.100 3.300 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.28471E-03 ppm1 8.215 ppm2 7.330 CV 1 OR { 756} (( segid " " and resid 2344 and name H )) ( segid " " and resid 2341 and name HD% ) ASSI { 758} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2345 and name HB )) 4.400 2.400 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.215 ppm2 1.944 CV 1 OR { 758} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2342 and name HB2 )) ASSI { 764} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2345 and name HA )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 8.314 ppm2 3.679 CV 1 OR { 764} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2342 and name HA )) ASSI { 779} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2346 and name HB3 )) 2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.37756E-02 ppm1 8.098 ppm2 1.933 CV 1 OR { 779} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2345 and name HB )) ASSI { 788} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2346 and name H )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.33162E-02 ppm1 8.421 ppm2 8.109 CV 1 OR { 788} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2348 and name H )) ASSI { 806} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2412 and name H )) 2.800 1.000 1.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.20933E-02 ppm1 8.892 ppm2 8.237 CV 1 OR { 806} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2410 and name H )) ASSI { 810} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2348 and name HA )) 3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.61795E-03 ppm1 8.889 ppm2 4.344 CV 1 OR { 810} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2407 and name HA )) ASSI { 819} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2407 and name HG )) 4.100 2.100 1.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.41413E-03 ppm1 8.887 ppm2 1.799 CV 1 OR { 819} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2470 and name HB2 )) ASSI { 844} (( segid " " and resid 2351 and name H )) ( segid " " and resid 2348 and name HB% ) 4.700 2.700 1.300 peak 844 spectrum 1 weight 0.10000E+01 volume 0.30412E-03 ppm1 8.205 ppm2 1.593 CV 1 OR { 844} (( segid " " and resid 2351 and name H )) ( segid " " and resid 2354 and name HB% ) ASSI { 845} (( segid " " and resid 2351 and name H )) ( segid " " and resid 2352 and name HD1%) 5.100 3.300 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 8.204 ppm2 0.974 CV 1 OR { 845} (( segid " " and resid 2351 and name H )) ( segid " " and resid 2323 and name HD2%) ASSI { 865} (( segid " " and resid 2353 and name H )) ( segid " " and resid 2352 and name HD1%) 4.000 2.000 2.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.32677E-03 ppm1 8.356 ppm2 0.978 CV 1 OR { 865} (( segid " " and resid 2353 and name H )) ( segid " " and resid 2323 and name HD2%) ASSI { 868} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2359 and name H )) 4.300 2.400 1.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.29118E-03 ppm1 9.271 ppm2 8.369 CV 1 OR { 868} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2353 and name H )) ASSI { 872} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2356 and name HB )) 3.200 1.300 1.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 9.275 ppm2 4.144 CV 1 OR { 872} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2353 and name HA )) ASSI { 882} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2464 and name HG3 )) 5.100 3.300 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 8.156 ppm2 1.631 CV 1 OR { 882} (( segid " " and resid 2357 and name H )) ( segid " " and resid 2358 and name HB% ) ASSI { 884} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2305 and name HA )) 4.300 2.300 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.24588E-03 ppm1 8.154 ppm2 4.014 CV 1 OR { 884} (( segid " " and resid 2357 and name H )) (( segid " " and resid 2356 and name HA )) OR { 884} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2303 and name HA )) ASSI { 889} (( segid " " and resid 2355 and name H )) ( segid " " and resid 2355 and name HB% ) 2.900 1.100 1.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.20641E-02 ppm1 8.098 ppm2 1.614 CV 1 OR { 889} (( segid " " and resid 2355 and name H )) ( segid " " and resid 2354 and name HB% ) ASSI { 902} (( segid " " and resid 2359 and name H )) (( segid " " and resid 2359 and name HA )) 2.900 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.21192E-02 ppm1 8.395 ppm2 4.003 CV 1 OR { 902} (( segid " " and resid 2359 and name H )) (( segid " " and resid 2356 and name HA )) ASSI { 903} (( segid " " and resid 2359 and name H )) (( segid " " and resid 2358 and name HA )) 3.400 1.400 1.400 peak 903 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 8.391 ppm2 4.155 CV 1 OR { 903} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2358 and name HA )) ASSI { 905} (( segid " " and resid 2359 and name H )) (( segid " " and resid 2359 and name HB3 )) 2.900 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.22874E-02 ppm1 8.395 ppm2 1.653 CV 1 OR { 905} (( segid " " and resid 2359 and name H )) ( segid " " and resid 2358 and name HB% ) ASSI { 909} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2359 and name H )) 2.800 1.000 1.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.20641E-02 ppm1 8.302 ppm2 8.390 CV 1 OR { 909} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2361 and name H )) ASSI { 913} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2358 and name HA )) 3.600 1.600 1.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.96087E-03 ppm1 8.300 ppm2 4.158 CV 1 OR { 913} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2356 and name HB )) ASSI { 914} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2359 and name HA )) 3.400 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 8.299 ppm2 4.015 CV 1 OR { 914} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2356 and name HA )) ASSI { 922} (( segid " " and resid 2360 and name H )) ( segid " " and resid 2435 and name HG2%) 5.800 4.200 0.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.77648E-04 ppm1 8.297 ppm2 1.303 CV 1 OR { 922} (( segid " " and resid 2360 and name H )) ( segid " " and resid 2356 and name HG2%) ASSI { 936} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2358 and name HA )) 4.200 2.200 1.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.37206E-03 ppm1 8.464 ppm2 4.164 CV 1 OR { 936} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2414 and name HA )) ASSI { 951} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2363 and name HB% ) 3.300 1.400 1.400 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 8.698 ppm2 1.601 CV 1 OR { 951} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2362 and name HB% ) ASSI { 1000} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2370 and name HD2%) 4.700 2.800 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 8.451 ppm2 0.849 CV 1 OR { 1000} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2309 and name HD1%) ASSI { 1017} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2371 and name HB )) 4.300 2.300 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.096 ppm2 2.260 CV 1 OR { 1017} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2369 and name HB3 )) ASSI { 1049} (( segid " " and resid 2371 and name H )) ( segid " " and resid 2370 and name HD1%) 5.800 4.200 0.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.71178E-04 ppm1 8.125 ppm2 0.833 CV 1 OR { 1049} (( segid " " and resid 2371 and name H )) ( segid " " and resid 2370 and name HD2%) OR { 1049} (( segid " " and resid 2414 and name H )) ( segid " " and resid 2345 and name HG2%) ASSI { 1052} (( segid " " and resid 2372 and name H )) (( segid " " and resid 2371 and name H )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.27371E-02 ppm1 8.352 ppm2 8.111 CV 1 OR { 1052} (( segid " " and resid 2372 and name H )) (( segid " " and resid 2373 and name H )) ASSI { 1054} (( segid " " and resid 2372 and name H )) (( segid " " and resid 2371 and name HA )) 3.500 1.500 1.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.95765E-03 ppm1 8.352 ppm2 4.047 CV 1 OR { 1054} (( segid " " and resid 2372 and name H )) (( segid " " and resid 2368 and name HA )) ASSI { 1064} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2371 and name HA )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.110 ppm2 4.041 CV 1 OR { 1064} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2374 and name HA2 )) ASSI { 1088} (( segid " " and resid 2375 and name H )) ( segid " " and resid 2376 and name HG2%) 4.800 2.900 1.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.25560E-03 ppm1 8.230 ppm2 0.838 CV 1 OR { 1088} (( segid " " and resid 2375 and name H )) ( segid " " and resid 2370 and name HD1%) ASSI { 1092} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2371 and name HA )) 3.500 1.600 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 7.434 ppm2 4.040 CV 1 OR { 1092} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2374 and name HA2 )) ASSI { 1110} (( segid " " and resid 2378 and name H )) (( segid " " and resid 2378 and name HA )) 3.300 1.300 1.300 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 8.316 ppm2 4.541 CV 1 OR { 1110} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2406 and name HA )) ASSI { 1118} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2422 and name HA )) 3.300 1.400 1.400 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 7.945 ppm2 4.103 CV 1 OR { 1118} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2420 and name HB2 )) ASSI { 1139} (( segid " " and resid 2381 and name H )) (( segid " " and resid 2380 and name HB2 )) 3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 8.342 ppm2 2.076 CV 1 OR { 1139} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name HB3 )) ASSI { 1155} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2388 and name H )) 4.700 2.800 1.300 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 8.820 ppm2 8.369 CV 1 OR { 1155} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2384 and name H )) ASSI { 1166} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2385 and name HB3 )) 3.200 1.300 1.300 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 8.824 ppm2 2.813 CV 1 OR { 1166} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2385 and name HB2 )) OR { 1166} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2386 and name HB2 )) ASSI { 1175} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2389 and name H )) 2.700 0.900 0.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.29021E-02 ppm1 8.384 ppm2 8.668 CV 1 OR { 1175} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2387 and name H )) ASSI { 1204} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2389 and name HB3 )) 3.100 1.200 1.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.13815E-02 ppm1 8.526 ppm2 3.625 CV 1 OR { 1204} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2390 and name HB3 )) OR { 1204} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2390 and name HB2 )) ASSI { 1235} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2394 and name H )) 2.700 0.900 0.900 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.25786E-02 ppm1 7.623 ppm2 8.115 CV 1 OR { 1235} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2392 and name H )) ASSI { 1252} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2318 and name HA )) 3.700 1.700 1.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 8.111 ppm2 4.219 CV 1 OR { 1252} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2319 and name HA )) ASSI { 1274} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2394 and name H )) 4.300 2.300 1.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.29442E-03 ppm1 7.961 ppm2 8.115 CV 1 OR { 1274} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2399 and name H )) ASSI { 1300} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2399 and name HB3 )) 4.600 2.600 1.400 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 8.661 ppm2 2.298 CV 1 OR { 1300} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2400 and name HB )) ASSI { 1303} (( segid " " and resid 2397 and name H )) ( segid " " and resid 2397 and name HB% ) 2.900 1.000 1.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 8.663 ppm2 1.491 CV 1 OR { 1303} (( segid " " and resid 2397 and name H )) ( segid " " and resid 2396 and name HB% ) ASSI { 1307} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2401 and name H )) 4.100 2.100 1.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.38825E-03 ppm1 8.510 ppm2 8.383 CV 1 OR { 1307} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2395 and name H )) ASSI { 1341} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2399 and name HB3 )) 2.800 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.23068E-02 ppm1 8.428 ppm2 2.298 CV 1 OR { 1341} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2400 and name HB )) ASSI { 1345} (( segid " " and resid 2400 and name H )) ( segid " " and resid 2397 and name HB% ) 5.400 3.700 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.12618E-03 ppm1 8.429 ppm2 1.498 CV 1 OR { 1345} (( segid " " and resid 2400 and name H )) ( segid " " and resid 2396 and name HB% ) ASSI { 1356} (( segid " " and resid 2431 and name H )) (( segid " " and resid 2430 and name H )) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 8.493 ppm2 8.361 CV 1 OR { 1356} (( segid " " and resid 2402 and name H )) (( segid " " and resid 2401 and name H )) ASSI { 1360} (( segid " " and resid 2431 and name H )) (( segid " " and resid 2428 and name HA )) 3.600 1.600 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 8.497 ppm2 4.058 CV 1 OR { 1360} (( segid " " and resid 2402 and name H )) (( segid " " and resid 2401 and name HA )) ASSI { 1361} (( segid " " and resid 2402 and name H )) ( segid " " and resid 2402 and name HB% ) 2.900 1.000 1.000 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.25430E-02 ppm1 8.491 ppm2 1.631 CV 1 OR { 1361} (( segid " " and resid 2402 and name H )) ( segid " " and resid 2401 and name HB% ) ASSI { 1362} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2402 and name H )) 2.700 0.900 0.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.33712E-02 ppm1 8.708 ppm2 8.474 CV 1 OR { 1362} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2404 and name H )) ASSI { 1367} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2400 and name HB )) 4.600 2.600 1.400 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 8.707 ppm2 2.304 CV 1 OR { 1367} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2399 and name HB3 )) ASSI { 1368} (( segid " " and resid 2403 and name H )) ( segid " " and resid 2403 and name HB% ) 3.000 1.100 1.100 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.19218E-02 ppm1 8.708 ppm2 1.607 CV 1 OR { 1368} (( segid " " and resid 2403 and name H )) ( segid " " and resid 2402 and name HB% ) ASSI { 1383} (( segid " " and resid 2404 and name H )) ( segid " " and resid 2431 and name HG1%) 5.500 3.700 0.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.13589E-03 ppm1 8.476 ppm2 0.924 CV 1 OR { 1383} (( segid " " and resid 2404 and name H )) ( segid " " and resid 2400 and name HG2%) ASSI { 1391} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2407 and name H )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 8.572 ppm2 8.312 CV 1 OR { 1391} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2409 and name H )) ASSI { 1398} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2407 and name HB2 )) 5.300 3.500 0.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.574 ppm2 1.708 CV 1 OR { 1398} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2319 and name HB% ) ASSI { 1402} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2317 and name HA )) 4.100 2.100 1.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 8.330 ppm2 4.068 CV 1 OR { 1402} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2408 and name HA )) OR { 1402} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2309 and name HA )) ASSI { 1412} (( segid " " and resid 2378 and name H )) ( segid " " and resid 2376 and name HG1%) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.58236E-04 ppm1 8.317 ppm2 0.912 CV 1 OR { 1412} (( segid " " and resid 2407 and name H )) ( segid " " and resid 2431 and name HG1%) ASSI { 1422} (( segid " " and resid 2406 and name H )) ( segid " " and resid 2403 and name HB% ) 5.100 3.300 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.310 ppm2 1.605 CV 1 OR { 1422} (( segid " " and resid 2406 and name H )) ( segid " " and resid 2402 and name HB% ) ASSI { 1438} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2410 and name HA )) 2.700 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.38177E-02 ppm1 8.265 ppm2 4.317 CV 1 OR { 1438} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2407 and name HA )) ASSI { 1466} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2409 and name HA )) 4.000 2.000 2.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.39795E-03 ppm1 8.170 ppm2 4.187 CV 1 OR { 1466} (( segid " " and resid 2415 and name H )) (( segid " " and resid 2414 and name HA )) ASSI { 1482} (( segid " " and resid 2416 and name H )) (( segid " " and resid 2416 and name HB2 )) 2.500 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.35557E-02 ppm1 7.690 ppm2 2.428 CV 1 OR { 1482} (( segid " " and resid 2416 and name H )) (( segid " " and resid 2415 and name HB )) ASSI { 1509} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2361 and name H )) 4.200 2.200 1.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.20706E-03 ppm1 8.491 ppm2 8.348 CV 1 OR { 1509} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2420 and name H )) ASSI { 1522} (( segid " " and resid 2420 and name H )) ( segid " " and resid 2414 and name HB% ) 4.400 2.400 1.600 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.32030E-03 ppm1 8.376 ppm2 1.670 CV 1 OR { 1522} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2423 and name HG2 )) ASSI { 1545} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2424 and name H )) 3.400 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.75706E-03 ppm1 7.949 ppm2 8.201 CV 1 OR { 1545} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2412 and name H )) ASSI { 1548} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2423 and name HB3 )) 2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.40054E-02 ppm1 7.951 ppm2 2.038 CV 1 OR { 1548} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2422 and name HB2 )) ASSI { 1580} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name H )) 2.600 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.31189E-02 ppm1 8.372 ppm2 8.486 CV 1 OR { 1580} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2431 and name H )) ASSI { 1581} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2428 and name H )) 4.400 2.400 1.600 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 8.371 ppm2 8.244 CV 1 OR { 1581} (( segid " " and resid 2341 and name H )) (( segid " " and resid 2343 and name H )) ASSI { 1583} (( segid " " and resid 2341 and name H )) (( segid " " and resid 2341 and name HA )) 3.100 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 8.370 ppm2 4.371 CV 1 OR { 1583} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2430 and name HA )) ASSI { 1635} (( segid " " and resid 2435 and name H )) (( segid " " and resid 2432 and name HA )) 3.600 1.600 1.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.99001E-03 ppm1 8.151 ppm2 4.020 CV 1 OR { 1635} (( segid " " and resid 2435 and name H )) (( segid " " and resid 2434 and name HB3 )) ASSI { 1659} (( segid " " and resid 2436 and name H )) ( segid " " and resid 2439 and name HD1%) 5.400 3.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.21353E-03 ppm1 7.835 ppm2 0.987 CV 1 OR { 1659} (( segid " " and resid 2436 and name H )) ( segid " " and resid 2463 and name HG1%) ASSI { 1666} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2438 and name HA )) 4.600 2.700 1.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.45618E-03 ppm1 7.746 ppm2 4.035 CV 1 OR { 1666} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2434 and name HB3 )) ASSI { 1674} (( segid " " and resid 2437 and name H )) ( segid " " and resid 2400 and name HG1%) 5.400 3.700 0.600 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.12295E-03 ppm1 7.744 ppm2 1.073 CV 1 OR { 1674} (( segid " " and resid 2437 and name H )) ( segid " " and resid 2440 and name HG2%) ASSI { 1676} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2437 and name H )) 3.100 1.200 1.200 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 8.022 ppm2 7.721 CV 1 OR { 1676} (( segid " " and resid 2305 and name H )) (( segid " " and resid 2304 and name H )) ASSI { 1677} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2437 and name HA )) 3.600 1.600 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.87681E-03 ppm1 8.018 ppm2 4.172 CV 1 OR { 1677} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2436 and name HA )) ASSI { 1678} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2434 and name HA )) 4.800 2.900 1.200 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.017 ppm2 4.301 CV 1 OR { 1678} (( segid " " and resid 2305 and name H )) (( segid " " and resid 2302 and name HB )) ASSI { 1687} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2455 and name HA )) 4.000 2.000 2.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.51118E-03 ppm1 8.219 ppm2 4.179 CV 1 OR { 1687} (( segid " " and resid 2439 and name H )) (( segid " " and resid 2436 and name HA )) ASSI { 1690} (( segid " " and resid 2439 and name H )) (( segid " " and resid 2439 and name HB2 )) 3.000 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 8.216 ppm2 2.049 CV 1 OR { 1690} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2454 and name HB3 )) ASSI { 1729} (( segid " " and resid 2442 and name H )) ( segid " " and resid 2456 and name HD1%) 5.400 3.600 0.600 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.15853E-03 ppm1 8.001 ppm2 1.059 CV 1 OR { 1729} (( segid " " and resid 2442 and name H )) ( segid " " and resid 2440 and name HG2%) ASSI { 1775} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2455 and name H )) 4.100 2.100 1.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.50148E-03 ppm1 7.899 ppm2 8.190 CV 1 OR { 1775} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2456 and name H )) ASSI { 1805} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2454 and name HB2 )) 2.600 0.900 0.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.27339E-02 ppm1 8.194 ppm2 1.986 CV 1 OR { 1805} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2455 and name HB2 )) ASSI { 1811} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2457 and name HB3 )) 5.000 3.200 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.22971E-03 ppm1 8.218 ppm2 2.235 CV 1 OR { 1811} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2457 and name HB2 )) OR { 1811} (( segid " " and resid 2459 and name H )) (( segid " " and resid 2457 and name HB3 )) ASSI { 1827} (( segid " " and resid 2457 and name H )) ( segid " " and resid 2439 and name HD2%) 6.000 5.000 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.42060E-04 ppm1 8.590 ppm2 0.935 CV 1 OR { 1827} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2323 and name HD1%) ASSI { 1828} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2407 and name HB2 )) 4.700 2.800 1.300 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 8.590 ppm2 1.718 CV 1 OR { 1828} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2456 and name HG )) ASSI { 1852} (( segid " " and resid 2459 and name H )) ( segid " " and resid 2459 and name HB% ) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.29280E-02 ppm1 8.199 ppm2 1.631 CV 1 OR { 1852} (( segid " " and resid 2459 and name H )) ( segid " " and resid 2458 and name HB% ) ASSI { 1853} (( segid " " and resid 2459 and name H )) ( segid " " and resid 2456 and name HD2%) 4.700 2.800 1.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.27824E-03 ppm1 8.201 ppm2 1.031 CV 1 OR { 1853} (( segid " " and resid 2459 and name H )) ( segid " " and resid 2359 and name HD1%) ASSI { 1866} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2359 and name HD2%) 5.600 3.900 0.400 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.10677E-03 ppm1 8.975 ppm2 1.162 CV 1 OR { 1866} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2463 and name HG2%) ASSI { 1867} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2359 and name HD1%) 4.000 2.000 2.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.54031E-03 ppm1 8.972 ppm2 1.019 CV 1 OR { 1867} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2456 and name HD2%) ASSI { 1897} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2424 and name HA )) 3.500 1.600 1.600 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 8.169 ppm2 3.954 CV 1 OR { 1897} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HD3 )) ASSI { 1900} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2426 and name HA )) 3.200 1.300 1.300 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 8.170 ppm2 4.233 CV 1 OR { 1900} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2423 and name HA )) ASSI { 1917} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2424 and name HB2 )) 4.700 2.800 1.300 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.40442E-03 ppm1 8.360 ppm2 1.573 CV 1 OR { 1917} (( segid " " and resid 2425 and name H )) ( segid " " and resid 2474 and name HB% ) ASSI { 1931} (( segid " " and resid 2445 and name H )) ( segid " " and resid 2444 and name HG1%) 5.200 3.400 0.800 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.15530E-03 ppm1 7.120 ppm2 1.118 CV 1 OR { 1931} (( segid " " and resid 2445 and name H )) (( segid " " and resid 2445 and name HB3 )) ASSI { 1932} (( segid " " and resid 2445 and name H )) (( segid " " and resid 2445 and name HD3 )) 5.200 3.400 0.800 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.10353E-03 ppm1 7.131 ppm2 1.290 CV 1 OR { 1932} (( segid " " and resid 2445 and name H )) ( segid " " and resid 2444 and name HG2%) ASSI { 1966} (( segid " " and resid 2443 and name H )) ( segid " " and resid 2456 and name HD1%) 5.700 4.100 0.300 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.87353E-04 ppm1 8.165 ppm2 1.061 CV 1 OR { 1966} (( segid " " and resid 2443 and name H )) ( segid " " and resid 2440 and name HG2%) ASSI { 1983} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2445 and name HD3 )) 4.300 2.300 1.700 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 10.364 ppm2 1.284 CV 1 OR { 1983} (( segid " " and resid 2389 and name HE1 )) ( segid " " and resid 2444 and name HG2%) ASSI { 1985} (( segid " " and resid 2389 and name HE1 )) ( segid " " and resid 2370 and name HD2%) 5.400 3.600 0.600 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.10353E-03 ppm1 10.363 ppm2 0.822 CV 1 OR { 1985} (( segid " " and resid 2389 and name HE1 )) ( segid " " and resid 2376 and name HG2%) ASSI { 2000} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2348 and name HA )) 4.400 2.400 1.600 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.79590E-03 ppm1 7.814 ppm2 4.371 CV 1 OR { 2000} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2466 and name HA )) ASSI { 2002} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2470 and name H )) 5.500 3.800 0.500 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.30412E-03 ppm1 7.813 ppm2 8.100 CV 1 OR { 2002} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2469 and name H )) ASSI { 2010} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2457 and name HG2 )) 4.800 2.900 1.200 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.13589E-03 ppm1 7.679 ppm2 2.502 CV 1 OR { 2010} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2457 and name HG3 )) OR { 2010} (( segid " " and resid 2340 and name HD22)) (( segid " " and resid 2343 and name HG3 )) ASSI { 2035} (( segid " " and resid 2437 and name HE22)) (( segid " " and resid 2437 and name HE21)) 1.800 0.400 0.400 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.18771E-01 ppm1 7.435 ppm2 6.763 CV 1 OR { 2035} (( segid " " and resid 2391 and name HE22)) (( segid " " and resid 2391 and name HE21)) ASSI { 2078} (( segid " " and resid 2406 and name HD21)) (( segid " " and resid 2406 and name HB2 )) 3.400 1.400 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 6.922 ppm2 3.070 CV 1 OR { 2078} (( segid " " and resid 2340 and name HD21)) (( segid " " and resid 2340 and name HB3 )) ASSI { 2080} (( segid " " and resid 2406 and name HD21)) (( segid " " and resid 2406 and name HA )) 4.700 2.700 1.300 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 6.921 ppm2 4.555 CV 1 OR { 2080} (( segid " " and resid 2307 and name HD22)) (( segid " " and resid 2307 and name HA )) ASSI { 2081} (( segid " " and resid 2406 and name HD21)) (( segid " " and resid 2403 and name HA )) 3.700 1.700 1.700 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 6.921 ppm2 4.290 CV 1 OR { 2081} (( segid " " and resid 2406 and name HD21)) (( segid " " and resid 2402 and name HA )) ASSI { 2085} (( segid " " and resid 2406 and name HD21)) (( segid " " and resid 2406 and name H )) 4.500 2.600 1.500 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 6.921 ppm2 8.286 CV 1 OR { 2085} (( segid " " and resid 2307 and name HD22)) (( segid " " and resid 2307 and name H )) ASSI { 2089} (( segid " " and resid 2325 and name HE21)) (( segid " " and resid 2325 and name HG2 )) 4.100 2.100 1.900 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.28795E-03 ppm1 6.885 ppm2 2.530 CV 1 OR { 2089} (( segid " " and resid 2388 and name HE22)) (( segid " " and resid 2388 and name HG3 )) ASSI { 2109} (( segid " " and resid 2416 and name HE22)) (( segid " " and resid 2416 and name HG2 )) 4.200 2.200 1.800 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.31707E-03 ppm1 6.788 ppm2 2.616 CV 1 OR { 2109} (( segid " " and resid 2430 and name HE21)) (( segid " " and resid 2430 and name HG2 )) ASSI { 2112} (( segid " " and resid 2437 and name HE21)) (( segid " " and resid 2437 and name HB2 )) 4.700 2.800 1.300 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.15206E-03 ppm1 6.775 ppm2 2.301 CV 1 OR { 2112} (( segid " " and resid 2475 and name HE21)) (( segid " " and resid 2475 and name HB2 )) ASSI { 33} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2473 and name HB% ) 4.800 2.900 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.16579E-03 ppm1 7.345 ppm2 1.573 CV 1 OR { 33} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2473 and name HB% ) OR { 33} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2474 and name HB% ) ASSI { 35} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2474 and name HB% ) 5.100 3.200 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15015E-03 ppm1 7.183 ppm2 1.575 CV 1 OR { 35} (( segid " " and resid 2418 and name HD2 )) ( segid " " and resid 2413 and name HB% ) ASSI { 41} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2445 and name HB2 )) 4.100 2.100 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.37850E-03 ppm1 7.724 ppm2 1.487 CV 1 OR { 41} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2393 and name HB3 )) ASSI { 42} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2445 and name HB2 )) 4.400 2.400 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.24086E-03 ppm1 7.054 ppm2 1.470 CV 1 OR { 42} (( segid " " and resid 2389 and name HH2 )) ( segid " " and resid 2446 and name HB% ) ASSI { 50} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2477 and name HB% ) 4.300 2.300 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.24712E-03 ppm1 7.316 ppm2 1.299 CV 1 OR { 50} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2477 and name HB% ) OR { 50} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2345 and name HG13)) ASSI { 60} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2424 and name HD2%) 4.900 3.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14702E-03 ppm1 7.317 ppm2 1.003 CV 1 OR { 60} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2345 and name HG12)) OR { 60} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2345 and name HG12)) ASSI { 82} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2445 and name HB2 )) 4.300 2.300 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.26902E-03 ppm1 7.458 ppm2 1.482 CV 1 OR { 82} (( segid " " and resid 2389 and name HZ2 )) ( segid " " and resid 2446 and name HB% ) OR { 82} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HB2 )) ASSI { 104} ( segid " " and resid 2480 and name HD% ) (( segid " " and resid 2480 and name HB2 )) 3.300 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 7.347 ppm2 3.087 CV 1 OR { 104} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2341 and name HB2 )) ASSI { 108} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2341 and name HB3 )) 3.400 1.400 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.89778E-03 ppm1 7.347 ppm2 3.318 CV 1 OR { 108} ( segid " " and resid 2480 and name HD% ) (( segid " " and resid 2480 and name HB3 )) ASSI { 6} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HD3 )) 3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15680E-02 ppm1 7.462 ppm2 1.289 CV 1 OR { 6} (( segid " " and resid 2389 and name HD1 )) ( segid " " and resid 2444 and name HG2%) ASSI { 45} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2345 and name HG13)) 3.200 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 7.183 ppm2 1.299 CV 1 OR { 45} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2477 and name HB% ) ASSI { 52} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2477 and name HB% ) 4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.36428E-03 ppm1 7.334 ppm2 1.310 CV 1 OR { 52} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2345 and name HG13)) ASSI { 54} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2345 and name HG12)) 4.600 2.600 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18214E-03 ppm1 7.320 ppm2 1.009 CV 1 OR { 54} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2424 and name HD2%) ASSI { 58} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2424 and name HD2%) 4.200 2.200 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.43555E-03 ppm1 7.343 ppm2 1.002 CV 1 OR { 58} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2345 and name HG12)) ASSI { 8} (( segid " " and resid 2469 and name HB2 )) (( segid " " and resid 2469 and name HA )) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.46733E-02 ppm1 2.942 ppm2 4.594 CV 1 OR { 8} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2461 and name HA )) ASSI { 30} (( segid " " and resid 2328 and name HG3 )) (( segid " " and resid 2328 and name HA )) 4.300 2.300 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.78720E-03 ppm1 2.109 ppm2 4.516 CV 1 OR { 30} (( segid " " and resid 2332 and name HG2 )) (( segid " " and resid 2332 and name HA )) OR { 30} (( segid " " and resid 2332 and name HG3 )) (( segid " " and resid 2332 and name HA )) ASSI { 31} (( segid " " and resid 2332 and name HB2 )) (( segid " " and resid 2332 and name HA )) 2.900 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.36362E-02 ppm1 2.030 ppm2 4.516 CV 1 OR { 31} (( segid " " and resid 2328 and name HB2 )) (( segid " " and resid 2328 and name HA )) ASSI { 88} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2300 and name HA )) 2.300 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.13595E-01 ppm1 4.043 ppm2 4.951 CV 1 OR { 88} (( segid " " and resid 2380 and name HD2 )) (( segid " " and resid 2300 and name HA )) ASSI { 122} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2301 and name HA )) 3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.18619E-02 ppm1 2.203 ppm2 4.410 CV 1 OR { 122} (( segid " " and resid 2380 and name HG2 )) (( segid " " and resid 2380 and name HA )) ASSI { 123} (( segid " " and resid 2380 and name HG3 )) (( segid " " and resid 2380 and name HA )) 3.700 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 2.076 ppm2 4.409 CV 1 OR { 123} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2380 and name HA )) OR { 123} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2301 and name HA )) ASSI { 135} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2341 and name HA )) 3.600 1.600 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.66226E-03 ppm1 2.310 ppm2 4.413 CV 1 OR { 135} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2389 and name HA )) ASSI { 150} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2337 and name HA )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39736E-02 ppm1 2.207 ppm2 4.368 CV 1 OR { 150} (( segid " " and resid 2334 and name HB3 )) (( segid " " and resid 2334 and name HA )) ASSI { 170} (( segid " " and resid 2351 and name HB3 )) (( segid " " and resid 2348 and name HA )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22492E-02 ppm1 4.089 ppm2 4.372 CV 1 OR { 170} (( segid " " and resid 2351 and name HB3 )) (( segid " " and resid 2466 and name HA )) ASSI { 185} (( segid " " and resid 2375 and name HD3 )) (( segid " " and resid 2375 and name HA )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.10496E-02 ppm1 1.776 ppm2 4.339 CV 1 OR { 185} (( segid " " and resid 2333 and name HD3 )) (( segid " " and resid 2333 and name HA )) OR { 185} (( segid " " and resid 2375 and name HD2 )) (( segid " " and resid 2375 and name HA )) OR { 185} (( segid " " and resid 2333 and name HD2 )) (( segid " " and resid 2333 and name HA )) ASSI { 210} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2372 and name HA )) 2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.34113E-02 ppm1 1.658 ppm2 4.291 CV 1 OR { 210} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2315 and name HA )) OR { 210} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2365 and name HA )) ASSI { 224} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2372 and name HA )) 3.800 3.800 2.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.56230E-03 ppm1 1.622 ppm2 4.276 CV 1 OR { 224} ( segid " " and resid 2458 and name HB% ) (( segid " " and resid 2458 and name HA )) OR { 224} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2365 and name HA )) OR { 224} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2314 and name HA )) OR { 224} ( segid " " and resid 2402 and name HB% ) (( segid " " and resid 2402 and name HA )) ASSI { 242} (( segid " " and resid 2426 and name HB3 )) (( segid " " and resid 2426 and name HA )) 3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 4.077 ppm2 4.241 CV 1 OR { 242} (( segid " " and resid 2426 and name HB2 )) (( segid " " and resid 2426 and name HA )) OR { 242} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2364 and name HA )) ASSI { 249} (( segid " " and resid 2455 and name HD3 )) (( segid " " and resid 2455 and name HA )) 4.500 2.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 3.330 ppm2 4.221 CV 1 OR { 249} (( segid " " and resid 2455 and name HD2 )) (( segid " " and resid 2455 and name HA )) OR { 249} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HA )) OR { 249} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2465 and name HA )) ASSI { 255} (( segid " " and resid 2443 and name HG3 )) (( segid " " and resid 2443 and name HA )) 3.400 1.400 1.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.99965E-03 ppm1 1.669 ppm2 4.235 CV 1 OR { 255} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HA )) ASSI { 269} (( segid " " and resid 2476 and name HD2 )) (( segid " " and resid 2473 and name HA )) 3.500 1.500 1.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 1.773 ppm2 4.233 CV 1 OR { 269} (( segid " " and resid 2476 and name HD3 )) (( segid " " and resid 2473 and name HA )) OR { 269} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2318 and name HA )) OR { 269} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2318 and name HA )) ASSI { 309} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HA )) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 1.525 ppm2 4.152 CV 1 OR { 309} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HA )) OR { 309} (( segid " " and resid 2322 and name HG3 )) (( segid " " and resid 2322 and name HA )) ASSI { 311} (( segid " " and resid 2322 and name HD3 )) (( segid " " and resid 2322 and name HA )) 3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 1.772 ppm2 4.137 CV 1 OR { 311} (( segid " " and resid 2322 and name HD2 )) (( segid " " and resid 2322 and name HA )) OR { 311} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2321 and name HA )) OR { 311} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HA )) ASSI { 313} (( segid " " and resid 2321 and name HE2 )) (( segid " " and resid 2321 and name HA )) 4.900 3.000 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.33738E-03 ppm1 3.051 ppm2 4.148 CV 1 OR { 313} (( segid " " and resid 2321 and name HE3 )) (( segid " " and resid 2321 and name HA )) OR { 313} (( segid " " and resid 2322 and name HE3 )) (( segid " " and resid 2322 and name HA )) OR { 313} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HA )) OR { 313} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HA )) ASSI { 325} ( segid " " and resid 2414 and name HB% ) (( segid " " and resid 2414 and name HA )) 2.900 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.653 ppm2 4.168 CV 1 OR { 325} ( segid " " and resid 2358 and name HB% ) (( segid " " and resid 2358 and name HA )) OR { 325} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2436 and name HA )) ASSI { 340} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2351 and name HB3 )) 4.800 2.900 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22492E-03 ppm1 1.604 ppm2 4.107 CV 1 OR { 340} ( segid " " and resid 2363 and name HB% ) (( segid " " and resid 2364 and name HB2 )) ASSI { 343} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2422 and name HA )) 4.300 2.300 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 1.049 ppm2 4.105 CV 1 OR { 343} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HA )) ASSI { 345} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name HA )) 3.400 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 2.296 ppm2 4.127 CV 1 OR { 345} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2472 and name HA )) ASSI { 346} (( segid " " and resid 2454 and name HE3 )) (( segid " " and resid 2451 and name HA )) 4.000 2.000 2.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 3.034 ppm2 4.112 CV 1 OR { 346} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HA )) OR { 346} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HA )) ASSI { 381} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2398 and name HA )) 3.100 1.200 1.200 peak 381 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 1.656 ppm2 4.083 CV 1 OR { 381} ( segid " " and resid 2432 and name HB% ) (( segid " " and resid 2429 and name HA )) ASSI { 382} ( segid " " and resid 2397 and name HB% ) (( segid " " and resid 2398 and name HA )) 4.400 2.400 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.32488E-03 ppm1 1.470 ppm2 4.080 CV 1 OR { 382} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2306 and name HA )) ASSI { 383} (( segid " " and resid 2306 and name HG3 )) (( segid " " and resid 2306 and name HA )) 3.300 1.400 1.400 peak 383 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 2.414 ppm2 4.085 CV 1 OR { 383} (( segid " " and resid 2422 and name HG3 )) (( segid " " and resid 2422 and name HA )) OR { 383} (( segid " " and resid 2422 and name HG2 )) (( segid " " and resid 2422 and name HA )) OR { 383} (( segid " " and resid 2306 and name HG2 )) (( segid " " and resid 2306 and name HA )) ASSI { 384} (( segid " " and resid 2422 and name HG3 )) (( segid " " and resid 2422 and name HA )) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 2.363 ppm2 4.100 CV 1 OR { 384} (( segid " " and resid 2422 and name HG2 )) (( segid " " and resid 2422 and name HA )) OR { 384} (( segid " " and resid 2451 and name HG3 )) (( segid " " and resid 2451 and name HA )) OR { 384} (( segid " " and resid 2451 and name HG2 )) (( segid " " and resid 2451 and name HA )) ASSI { 386} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2368 and name HA )) 3.300 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 2.031 ppm2 4.076 CV 1 OR { 386} (( segid " " and resid 2398 and name HB3 )) (( segid " " and resid 2398 and name HA )) OR { 386} (( segid " " and resid 2398 and name HB2 )) (( segid " " and resid 2398 and name HA )) ASSI { 400} (( segid " " and resid 2438 and name HB2 )) (( segid " " and resid 2438 and name HA )) 3.000 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 2.159 ppm2 4.071 CV 1 OR { 400} (( segid " " and resid 2470 and name HB3 )) (( segid " " and resid 2470 and name HA )) ASSI { 429} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2346 and name HA )) 3.800 1.800 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.49982E-03 ppm1 1.491 ppm2 4.040 CV 1 OR { 429} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2438 and name HA )) OR { 429} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2438 and name HA )) ASSI { 435} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2428 and name HA )) 3.400 1.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.89965E-03 ppm1 1.119 ppm2 4.046 CV 1 OR { 435} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2313 and name HA )) ASSI { 437} ( segid " " and resid 2428 and name HB% ) (( segid " " and resid 2428 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.20868E-02 ppm1 1.670 ppm2 4.047 CV 1 OR { 437} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2401 and name HA )) ASSI { 438} (( segid " " and resid 2431 and name HB )) (( segid " " and resid 2428 and name HA )) 2.900 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25116E-02 ppm1 2.381 ppm2 4.036 CV 1 OR { 438} (( segid " " and resid 2431 and name HB )) (( segid " " and resid 2432 and name HA )) ASSI { 455} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HA )) 3.500 1.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.94968E-03 ppm1 0.983 ppm2 4.009 CV 1 OR { 455} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2457 and name HA )) ASSI { 465} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2411 and name HA )) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.62478E-03 ppm1 1.000 ppm2 4.009 CV 1 OR { 465} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2411 and name HA )) ASSI { 564} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2345 and name HA )) 4.700 2.800 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.63727E-03 ppm1 1.008 ppm2 3.679 CV 1 OR { 564} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2345 and name HA )) ASSI { 596} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HD3 )) 3.800 1.800 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.67474E-03 ppm1 2.094 ppm2 3.336 CV 1 OR { 596} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HD2 )) OR { 596} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name HD3 )) OR { 596} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name HD2 )) ASSI { 598} (( segid " " and resid 2455 and name HG2 )) (( segid " " and resid 2455 and name HD2 )) 3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 1.974 ppm2 3.333 CV 1 OR { 598} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HD3 )) OR { 598} (( segid " " and resid 2455 and name HG2 )) (( segid " " and resid 2455 and name HD3 )) OR { 598} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HD2 )) ASSI { 618} (( segid " " and resid 2331 and name HG3 )) (( segid " " and resid 2331 and name HE2 )) 4.200 4.200 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.37486E-03 ppm1 1.551 ppm2 3.096 CV 1 OR { 618} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HE2 )) OR { 618} (( segid " " and resid 2331 and name HG2 )) (( segid " " and resid 2331 and name HE2 )) OR { 618} (( segid " " and resid 2331 and name HG3 )) (( segid " " and resid 2331 and name HE3 )) OR { 618} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HE3 )) OR { 618} (( segid " " and resid 2331 and name HG2 )) (( segid " " and resid 2331 and name HE3 )) OR { 618} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE2 )) OR { 618} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HE2 )) OR { 618} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE3 )) OR { 618} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HE3 )) OR { 618} (( segid " " and resid 2375 and name HG2 )) (( segid " " and resid 2375 and name HE3 )) ASSI { 620} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name HE2 )) 5.600 4.000 0.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.74975E-04 ppm1 1.907 ppm2 3.101 CV 1 OR { 620} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name HE2 )) OR { 620} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HE3 )) OR { 620} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HE3 )) OR { 620} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name HE3 )) OR { 620} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HE2 )) OR { 620} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name HE3 )) OR { 620} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HE2 )) OR { 620} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HE3 )) OR { 620} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2327 and name HE2 )) ASSI { 627} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HE3 )) 4.500 4.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 1.536 ppm2 3.055 CV 1 OR { 627} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HE2 )) OR { 627} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HE3 )) OR { 627} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HE3 )) OR { 627} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HE3 )) OR { 627} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HE3 )) OR { 627} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HE2 )) OR { 627} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE2 )) OR { 627} (( segid " " and resid 2464 and name HG2 )) (( segid " " and resid 2464 and name HE3 )) OR { 627} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HE2 )) OR { 627} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HE2 )) OR { 627} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HE2 )) OR { 627} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HE3 )) ASSI { 632} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HE2 )) 5.500 3.700 0.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.99965E-04 ppm1 2.055 ppm2 3.048 CV 1 OR { 632} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2321 and name HE3 )) OR { 632} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name HE3 )) OR { 632} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name HE2 )) OR { 632} (( segid " " and resid 2423 and name HB2 )) (( segid " " and resid 2423 and name HE2 )) OR { 632} (( segid " " and resid 2423 and name HB3 )) (( segid " " and resid 2423 and name HE2 )) OR { 632} (( segid " " and resid 2322 and name HB2 )) (( segid " " and resid 2322 and name HE2 )) OR { 632} (( segid " " and resid 2423 and name HB2 )) (( segid " " and resid 2423 and name HE3 )) OR { 632} (( segid " " and resid 2423 and name HB3 )) (( segid " " and resid 2423 and name HE3 )) OR { 632} (( segid " " and resid 2322 and name HB2 )) (( segid " " and resid 2322 and name HE3 )) ASSI { 633} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HE2 )) 4.700 2.800 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.14994E-03 ppm1 1.998 ppm2 3.053 CV 1 OR { 633} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HE3 )) OR { 633} (( segid " " and resid 2443 and name HB2 )) (( segid " " and resid 2443 and name HE3 )) OR { 633} (( segid " " and resid 2443 and name HB2 )) (( segid " " and resid 2443 and name HE2 )) OR { 633} (( segid " " and resid 2443 and name HB3 )) (( segid " " and resid 2443 and name HE3 )) OR { 633} (( segid " " and resid 2443 and name HB3 )) (( segid " " and resid 2443 and name HE2 )) OR { 633} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HE2 )) OR { 633} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HE3 )) ASSI { 637} (( segid " " and resid 2476 and name HD3 )) (( segid " " and resid 2476 and name HE2 )) 3.100 3.100 2.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 1.757 ppm2 3.017 CV 1 OR { 637} (( segid " " and resid 2476 and name HD2 )) (( segid " " and resid 2476 and name HE3 )) OR { 637} (( segid " " and resid 2454 and name HD2 )) (( segid " " and resid 2454 and name HE2 )) OR { 637} (( segid " " and resid 2322 and name HD3 )) (( segid " " and resid 2322 and name HE3 )) OR { 637} (( segid " " and resid 2454 and name HD3 )) (( segid " " and resid 2454 and name HE2 )) OR { 637} (( segid " " and resid 2322 and name HD2 )) (( segid " " and resid 2322 and name HE2 )) OR { 637} (( segid " " and resid 2322 and name HD2 )) (( segid " " and resid 2322 and name HE3 )) OR { 637} (( segid " " and resid 2322 and name HD3 )) (( segid " " and resid 2322 and name HE2 )) OR { 637} (( segid " " and resid 2454 and name HD3 )) (( segid " " and resid 2454 and name HE3 )) OR { 637} (( segid " " and resid 2476 and name HD3 )) (( segid " " and resid 2476 and name HE3 )) ASSI { 672} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2412 and name HB3 )) 4.300 2.300 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.73723E-03 ppm1 0.933 ppm2 2.832 CV 1 OR { 672} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2412 and name HB3 )) ASSI { 699} (( segid " " and resid 2449 and name HB3 )) (( segid " " and resid 2449 and name HB2 )) 2.000 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.12158E-01 ppm1 2.842 ppm2 2.640 CV 1 OR { 699} (( segid " " and resid 2296 and name HB3 )) (( segid " " and resid 2296 and name HB2 )) ASSI { 706} ( segid " " and resid 2403 and name HB% ) (( segid " " and resid 2430 and name HG2 )) 4.800 2.900 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.28740E-03 ppm1 1.592 ppm2 2.645 CV 1 OR { 706} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2416 and name HG2 )) ASSI { 708} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name HG2 )) 3.400 1.500 1.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 2.314 ppm2 2.615 CV 1 OR { 708} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name HG2 )) OR { 708} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name HG2 )) ASSI { 723} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2457 and name HG2 )) 4.400 2.400 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 4.292 ppm2 2.529 CV 1 OR { 723} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2457 and name HG3 )) OR { 723} (( segid " " and resid 2396 and name HA )) (( segid " " and resid 2437 and name HG2 )) ASSI { 730} (( segid " " and resid 2325 and name HB3 )) (( segid " " and resid 2325 and name HG2 )) 2.600 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 2.356 ppm2 2.511 CV 1 OR { 730} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name HG3 )) OR { 730} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name HG3 )) ASSI { 731} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name HG3 )) 2.600 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.53856E-02 ppm1 2.300 ppm2 2.491 CV 1 OR { 731} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name HG3 )) OR { 731} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2475 and name HG2 )) ASSI { 732} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2388 and name HG3 )) 3.000 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.20618E-02 ppm1 2.319 ppm2 2.521 CV 1 OR { 732} (( segid " " and resid 2437 and name HB2 )) (( segid " " and resid 2437 and name HG2 )) OR { 732} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2388 and name HG3 )) OR { 732} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2430 and name HG3 )) ASSI { 740} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name HG3 )) 2.500 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.49732E-02 ppm1 2.170 ppm2 2.452 CV 1 OR { 740} (( segid " " and resid 2308 and name HB2 )) (( segid " " and resid 2308 and name HG3 )) OR { 740} (( segid " " and resid 2347 and name HB3 )) (( segid " " and resid 2347 and name HG2 )) OR { 740} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name HG2 )) ASSI { 741} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG2 )) 2.900 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.24241E-02 ppm1 4.079 ppm2 2.452 CV 1 OR { 741} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG3 )) OR { 741} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name HG2 )) ASSI { 750} (( segid " " and resid 2380 and name HG2 )) (( segid " " and resid 2380 and name HB3 )) 3.000 1.100 1.100 peak 750 spectrum 1 weight 0.10000E+01 volume 0.44359E-02 ppm1 2.195 ppm2 2.461 CV 1 OR { 750} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2301 and name HB3 )) ASSI { 758} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2380 and name HB3 )) 2.000 0.500 0.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.87842E-02 ppm1 2.072 ppm2 2.451 CV 1 OR { 758} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HB3 )) ASSI { 762} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG2 )) 3.500 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 4.100 ppm2 2.430 CV 1 OR { 762} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2347 and name HG3 )) OR { 762} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2306 and name HG3 )) OR { 762} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2306 and name HG2 )) OR { 762} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2347 and name HG2 )) ASSI { 766} (( segid " " and resid 2421 and name HB2 )) (( segid " " and resid 2421 and name HG2 )) 3.000 1.100 1.100 peak 766 spectrum 1 weight 0.10000E+01 volume 0.22367E-02 ppm1 2.130 ppm2 2.436 CV 1 OR { 766} (( segid " " and resid 2421 and name HB2 )) (( segid " " and resid 2421 and name HG3 )) OR { 766} (( segid " " and resid 2344 and name HB3 )) (( segid " " and resid 2344 and name HG3 )) ASSI { 773} (( segid " " and resid 2380 and name HG3 )) (( segid " " and resid 2380 and name HB3 )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.39111E-02 ppm1 2.087 ppm2 2.433 CV 1 OR { 773} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2301 and name HB3 )) ASSI { 794} (( segid " " and resid 2325 and name HB2 )) (( segid " " and resid 2325 and name HB3 )) 2.000 0.500 0.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.81218E-02 ppm1 2.123 ppm2 2.348 CV 1 OR { 794} (( segid " " and resid 2344 and name HB3 )) (( segid " " and resid 2344 and name HB2 )) ASSI { 798} (( segid " " and resid 2308 and name HB2 )) (( segid " " and resid 2308 and name HG2 )) 2.900 1.000 1.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 2.179 ppm2 2.351 CV 1 OR { 798} (( segid " " and resid 2343 and name HB2 )) (( segid " " and resid 2343 and name HG2 )) ASSI { 799} (( segid " " and resid 2317 and name HB3 )) (( segid " " and resid 2317 and name HG2 )) 3.200 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.17369E-02 ppm1 2.160 ppm2 2.352 CV 1 OR { 799} (( segid " " and resid 2451 and name HB3 )) (( segid " " and resid 2451 and name HG2 )) OR { 799} (( segid " " and resid 2451 and name HB2 )) (( segid " " and resid 2451 and name HG3 )) OR { 799} (( segid " " and resid 2451 and name HB2 )) (( segid " " and resid 2451 and name HG2 )) OR { 799} (( segid " " and resid 2451 and name HB3 )) (( segid " " and resid 2451 and name HG3 )) ASSI { 800} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2317 and name HG2 )) 3.600 1.600 1.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.68726E-03 ppm1 4.095 ppm2 2.348 CV 1 OR { 800} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HG3 )) OR { 800} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HG2 )) ASSI { 802} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2337 and name HG3 )) 2.200 0.600 0.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.15207E-01 ppm1 2.207 ppm2 2.367 CV 1 OR { 802} (( segid " " and resid 2334 and name HB3 )) (( segid " " and resid 2334 and name HG3 )) OR { 802} (( segid " " and resid 2334 and name HB3 )) (( segid " " and resid 2334 and name HG2 )) OR { 802} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2337 and name HG2 )) ASSI { 816} ( segid " " and resid 2403 and name HB% ) (( segid " " and resid 2430 and name HB3 )) 3.800 1.800 1.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.49982E-03 ppm1 1.594 ppm2 2.326 CV 1 OR { 816} ( segid " " and resid 2433 and name HB% ) (( segid " " and resid 2430 and name HB3 )) ASSI { 818} (( segid " " and resid 2388 and name HG2 )) (( segid " " and resid 2388 and name HB2 )) 2.900 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 2.644 ppm2 2.323 CV 1 OR { 818} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2430 and name HB3 )) OR { 818} (( segid " " and resid 2388 and name HG2 )) (( segid " " and resid 2388 and name HB3 )) ASSI { 837} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2371 and name HB )) 2.800 0.900 0.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.26365E-02 ppm1 1.095 ppm2 2.283 CV 1 OR { 837} ( segid " " and resid 2444 and name HG1%) (( segid " " and resid 2444 and name HB )) ASSI { 846} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2369 and name HB3 )) 3.900 1.900 1.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.36237E-03 ppm1 1.656 ppm2 2.243 CV 1 OR { 846} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2369 and name HB3 )) OR { 846} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2369 and name HB2 )) ASSI { 847} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2369 and name HB3 )) 4.400 2.400 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.32488E-03 ppm1 1.469 ppm2 2.246 CV 1 OR { 847} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2369 and name HB2 )) OR { 847} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2306 and name HB2 )) ASSI { 851} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HB3 )) 3.100 1.200 1.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.19743E-02 ppm1 2.501 ppm2 2.243 CV 1 OR { 851} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name HB2 )) OR { 851} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name HB3 )) OR { 851} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HB2 )) ASSI { 857} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name HB2 )) 2.600 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.49982E-02 ppm1 2.408 ppm2 2.241 CV 1 OR { 857} (( segid " " and resid 2306 and name HG2 )) (( segid " " and resid 2306 and name HB2 )) OR { 857} (( segid " " and resid 2306 and name HG3 )) (( segid " " and resid 2306 and name HB3 )) OR { 857} (( segid " " and resid 2306 and name HG2 )) (( segid " " and resid 2306 and name HB3 )) OR { 857} (( segid " " and resid 2306 and name HG3 )) (( segid " " and resid 2306 and name HB2 )) ASSI { 871} ( segid " " and resid 2440 and name HG2%) (( segid " " and resid 2440 and name HB )) 2.700 0.900 0.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.32113E-02 ppm1 1.068 ppm2 2.239 CV 1 OR { 871} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2371 and name HB )) ASSI { 885} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HG2 )) 2.400 0.700 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.40860E-02 ppm1 2.073 ppm2 2.207 CV 1 OR { 885} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2380 and name HG2 )) ASSI { 894} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2308 and name HB2 )) 4.500 2.500 1.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 1.470 ppm2 2.187 CV 1 OR { 894} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2451 and name HB2 )) ASSI { 900} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2317 and name HB2 )) 5.200 3.400 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.23742E-03 ppm1 1.617 ppm2 2.178 CV 1 OR { 900} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2373 and name HB2 )) OR { 900} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2317 and name HB3 )) ASSI { 901} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2344 and name HB3 )) 4.100 2.100 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.44984E-03 ppm1 1.571 ppm2 2.166 CV 1 OR { 901} ( segid " " and resid 2318 and name HB% ) (( segid " " and resid 2317 and name HB3 )) ASSI { 902} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HB3 )) 3.200 1.300 1.300 peak 902 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 4.104 ppm2 2.168 CV 1 OR { 902} (( segid " " and resid 2317 and name HA )) (( segid " " and resid 2317 and name HB3 )) OR { 902} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB2 )) OR { 902} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2451 and name HB3 )) OR { 902} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2422 and name HB3 )) ASSI { 947} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2337 and name HB2 )) 1.700 0.400 0.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.23241E-01 ppm1 2.207 ppm2 2.061 CV 1 OR { 947} (( segid " " and resid 2334 and name HB3 )) (( segid " " and resid 2334 and name HB2 )) ASSI { 950} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2316 and name HG12)) 3.800 1.800 1.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 1.658 ppm2 2.076 CV 1 OR { 950} ( segid " " and resid 2315 and name HB% ) (( segid " " and resid 2316 and name HG12)) ASSI { 951} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name HB3 )) 3.100 1.200 1.200 peak 951 spectrum 1 weight 0.10000E+01 volume 0.18493E-02 ppm1 4.075 ppm2 2.053 CV 1 OR { 951} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name HB2 )) OR { 951} (( segid " " and resid 2368 and name HA )) (( segid " " and resid 2368 and name HB3 )) ASSI { 960} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2424 and name HB3 )) 3.300 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.89965E-03 ppm1 1.001 ppm2 2.069 CV 1 OR { 960} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HB3 )) ASSI { 998} (( segid " " and resid 2332 and name HG2 )) (( segid " " and resid 2332 and name HB2 )) 2.600 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.52606E-02 ppm1 2.143 ppm2 2.030 CV 1 OR { 998} (( segid " " and resid 2332 and name HG3 )) (( segid " " and resid 2332 and name HB2 )) OR { 998} (( segid " " and resid 2328 and name HG3 )) (( segid " " and resid 2328 and name HB2 )) ASSI { 1002} (( segid " " and resid 2321 and name HE2 )) (( segid " " and resid 2321 and name HB3 )) 4.900 3.000 1.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.18743E-03 ppm1 3.047 ppm2 2.018 CV 1 OR { 1002} (( segid " " and resid 2321 and name HE3 )) (( segid " " and resid 2321 and name HB3 )) OR { 1002} (( segid " " and resid 2322 and name HE3 )) (( segid " " and resid 2322 and name HB3 )) OR { 1002} (( segid " " and resid 2423 and name HE2 )) (( segid " " and resid 2423 and name HB2 )) OR { 1002} (( segid " " and resid 2423 and name HE2 )) (( segid " " and resid 2423 and name HB3 )) OR { 1002} (( segid " " and resid 2322 and name HE2 )) (( segid " " and resid 2322 and name HB2 )) OR { 1002} (( segid " " and resid 2423 and name HE3 )) (( segid " " and resid 2423 and name HB2 )) OR { 1002} (( segid " " and resid 2423 and name HE3 )) (( segid " " and resid 2423 and name HB3 )) OR { 1002} (( segid " " and resid 2443 and name HE3 )) (( segid " " and resid 2443 and name HB3 )) OR { 1002} (( segid " " and resid 2443 and name HE2 )) (( segid " " and resid 2443 and name HB3 )) OR { 1002} (( segid " " and resid 2322 and name HE3 )) (( segid " " and resid 2322 and name HB2 )) ASSI { 1008} (( segid " " and resid 2318 and name HA )) (( segid " " and resid 2321 and name HB3 )) 2.700 0.900 0.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31864E-02 ppm1 4.226 ppm2 2.030 CV 1 OR { 1008} (( segid " " and resid 2319 and name HA )) (( segid " " and resid 2322 and name HB2 )) ASSI { 1032} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HB2 )) 3.200 1.300 1.300 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 1.544 ppm2 1.992 CV 1 OR { 1032} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HB2 )) OR { 1032} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HB2 )) OR { 1032} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HB3 )) ASSI { 1035} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name HB2 )) 2.600 0.800 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.42610E-02 ppm1 4.145 ppm2 1.992 CV 1 OR { 1035} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HB2 )) OR { 1035} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HB3 )) ASSI { 1070} ( segid " " and resid 2358 and name HB% ) (( segid " " and resid 2361 and name HB2 )) 4.700 2.800 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.34987E-03 ppm1 1.645 ppm2 1.965 CV 1 OR { 1070} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2361 and name HB2 )) OR { 1070} ( segid " " and resid 2358 and name HB% ) (( segid " " and resid 2361 and name HB3 )) ASSI { 1093} (( segid " " and resid 2375 and name HE2 )) (( segid " " and resid 2375 and name HB3 )) 5.100 5.100 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.13745E-03 ppm1 3.104 ppm2 1.910 CV 1 OR { 1093} (( segid " " and resid 2375 and name HE2 )) (( segid " " and resid 2375 and name HB2 )) OR { 1093} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HB3 )) OR { 1093} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HB2 )) OR { 1093} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HB2 )) OR { 1093} (( segid " " and resid 2333 and name HE2 )) (( segid " " and resid 2333 and name HB3 )) OR { 1093} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HB3 )) OR { 1093} (( segid " " and resid 2333 and name HE2 )) (( segid " " and resid 2333 and name HB2 )) OR { 1093} (( segid " " and resid 2327 and name HE2 )) (( segid " " and resid 2327 and name HB3 )) ASSI { 1118} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HD2 )) 4.100 2.100 1.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.36237E-03 ppm1 1.919 ppm2 1.797 CV 1 OR { 1118} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HD3 )) OR { 1118} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HD3 )) OR { 1118} (( segid " " and resid 2375 and name HB2 )) (( segid " " and resid 2375 and name HD3 )) OR { 1118} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HD3 )) OR { 1118} (( segid " " and resid 2333 and name HB2 )) (( segid " " and resid 2333 and name HD2 )) OR { 1118} (( segid " " and resid 2333 and name HB3 )) (( segid " " and resid 2333 and name HD2 )) OR { 1118} (( segid " " and resid 2375 and name HB3 )) (( segid " " and resid 2375 and name HD3 )) ASSI { 1119} (( segid " " and resid 2443 and name HG3 )) (( segid " " and resid 2443 and name HD3 )) 2.400 0.700 0.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.65102E-02 ppm1 1.675 ppm2 1.799 CV 1 OR { 1119} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HD3 )) OR { 1119} (( segid " " and resid 2443 and name HG3 )) (( segid " " and resid 2443 and name HD2 )) OR { 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1120} (( segid " " and resid 2333 and name HG2 )) (( segid " " and resid 2333 and name HD3 )) OR { 1120} (( segid " " and resid 2333 and name HG3 )) (( segid " " and resid 2333 and name HD2 )) ASSI { 1133} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HG3 )) 2.100 0.500 0.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.70475E-02 ppm1 1.969 ppm2 1.801 CV 1 OR { 1133} (( segid " " and resid 2455 and name HG2 )) (( segid " " and resid 2455 and name HG3 )) ASSI { 1155} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HG3 )) 3.700 3.700 2.300 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 1.528 ppm2 1.773 CV 1 OR { 1155} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HD3 )) OR { 1155} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HD2 )) OR { 1155} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HD3 )) OR { 1155} (( segid " " and resid 2322 and name HG3 )) (( segid " " and resid 2322 and name HD2 )) OR { 1155} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HD2 )) OR { 1155} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HD3 )) OR { 1155} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HD2 )) OR { 1155} (( segid " " and resid 2322 and name HG2 )) (( segid " " and resid 2322 and name HD2 )) OR { 1155} (( segid " " and resid 2322 and name HG3 )) (( segid " " and resid 2322 and name HD3 )) OR { 1155} (( segid " " and resid 2443 and name HG2 )) (( segid " " and resid 2443 and name HD3 )) OR { 1155} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HG2 )) ASSI { 1156} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name HD2 )) 3.200 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 2.973 ppm2 1.750 CV 1 OR { 1156} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HD3 )) OR { 1156} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name HD3 )) OR { 1156} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HD2 )) OR { 1156} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HD2 )) OR { 1156} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name HD2 )) OR { 1156} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name HD3 )) ASSI { 1158} (( segid " " and resid 2473 and name HA )) (( segid " " and resid 2476 and name HD2 )) 3.500 1.600 1.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 4.234 ppm2 1.772 CV 1 OR { 1158} (( segid " " and resid 2473 and name HA )) (( segid " " and resid 2476 and name HD3 )) OR { 1158} (( segid " " and resid 2318 and name HA )) (( segid " " and resid 2321 and name HD2 )) ASSI { 1159} (( segid " " and resid 2423 and name HB2 )) (( segid " " and resid 2423 and name HD2 )) 4.300 4.300 1.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.26241E-03 ppm1 2.053 ppm2 1.767 CV 1 OR { 1159} (( segid " " and resid 2423 and name HB3 )) (( segid " " and resid 2423 and name HD3 )) OR { 1159} (( segid " " and resid 2350 and name HB3 )) (( segid " " and resid 2350 and name HD3 )) OR { 1159} (( segid " " and resid 2350 and name HB2 )) (( segid " " and resid 2350 and name HD3 )) OR { 1159} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HD3 )) OR { 1159} (( segid " " and resid 2350 and name HB3 )) (( segid " " and resid 2350 and name HD2 )) OR { 1159} (( segid " " and resid 2423 and name HB3 )) (( segid " " and resid 2423 and name HD2 )) OR { 1159} (( segid " " and resid 2423 and name HB2 )) (( segid " " and resid 2423 and name HD3 )) OR { 1159} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name HD2 )) OR { 1159} (( segid " " and resid 2350 and name HB2 )) (( segid " " and resid 2350 and name HD2 )) OR { 1159} (( segid " " and resid 2454 and name HB3 )) (( segid " " and resid 2454 and name HD2 )) ASSI { 1160} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HG2 )) 3.900 3.900 2.100 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.42485E-03 ppm1 1.998 ppm2 1.773 CV 1 OR { 1160} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HG2 )) OR { 1160} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2472 and name HG3 )) OR { 1160} (( segid " " and resid 2429 and name HB2 )) (( segid " " and resid 2429 and name HD2 )) OR { 1160} (( segid " " and resid 2443 and name HB2 )) (( segid " " and resid 2443 and name HD2 )) OR { 1160} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2472 and name HG3 )) OR { 1160} (( segid " " and resid 2443 and name HB3 )) (( segid " " and resid 2443 and name HD3 )) OR { 1160} (( segid " " and resid 2429 and name HB2 )) (( segid " " and resid 2429 and name HD3 )) OR { 1160} (( segid " " and resid 2443 and name HB2 )) (( segid " " and resid 2443 and name HD3 )) ASSI { 1162} (( segid " " and resid 2321 and name HG2 )) (( segid " " and resid 2321 and name HD2 )) 2.600 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.44609E-02 ppm1 1.614 ppm2 1.764 CV 1 OR { 1162} (( segid " " and resid 2321 and name HG3 )) (( segid " " and resid 2321 and name HD3 )) OR { 1162} (( segid " " and resid 2321 and name HG2 )) (( segid " " and resid 2321 and name HD3 )) OR { 1162} (( segid " " and resid 2476 and name HG2 )) (( segid " " and resid 2476 and name HD2 )) OR { 1162} (( segid " " and resid 2321 and name HG3 )) (( segid " " and resid 2321 and name HD2 )) OR { 1162} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2464 and name HD2 )) ASSI { 1164} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HG3 )) 3.700 1.800 1.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.53731E-03 ppm1 4.145 ppm2 1.774 CV 1 OR { 1164} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HG2 )) OR { 1164} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name HD2 )) ASSI { 1168} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2476 and name HD2 )) 5.100 3.300 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.16244E-03 ppm1 1.571 ppm2 1.774 CV 1 OR { 1168} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2476 and name HD3 )) OR { 1168} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2423 and name HD2 )) ASSI { 1173} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HG )) 3.200 1.300 1.300 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.13245E-02 ppm1 1.032 ppm2 1.759 CV 1 OR { 1173} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2346 and name HG )) ASSI { 1181} ( segid " " and resid 2346 and name HD2%) (( segid " " and resid 2346 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.67474E-03 ppm1 1.005 ppm2 1.769 CV 1 OR { 1181} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HB2 )) ASSI { 1186} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2346 and name HB2 )) 3.200 1.300 1.300 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.032 ppm2 1.785 CV 1 OR { 1186} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HB3 )) ASSI { 1193} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HB2 )) 3.700 1.700 1.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 3.726 ppm2 1.781 CV 1 OR { 1193} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name HB2 )) ASSI { 1203} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HG )) 3.000 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.20493E-02 ppm1 0.930 ppm2 1.725 CV 1 OR { 1203} ( segid " " and resid 2339 and name HD2%) (( segid " " and resid 2339 and name HG )) ASSI { 1211} (( segid " " and resid 2456 and name HA )) (( segid " " and resid 2456 and name HG )) 3.400 1.400 1.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 4.050 ppm2 1.682 CV 1 OR { 1211} (( segid " " and resid 2438 and name HA )) (( segid " " and resid 2438 and name HG )) ASSI { 1214} (( segid " " and resid 2423 and name HG3 )) (( segid " " and resid 2423 and name HG2 )) 1.800 0.400 0.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.15170E-01 ppm1 1.547 ppm2 1.691 CV 1 OR { 1214} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HD2 )) ASSI { 1250} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2428 and name HB% ) 3.500 1.500 1.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.78720E-03 ppm1 1.003 ppm2 1.668 CV 1 OR { 1250} ( segid " " and resid 2424 and name HD2%) ( segid " " and resid 2414 and name HB% ) ASSI { 1260} (( segid " " and resid 2361 and name HD3 )) ( segid " " and resid 2313 and name HB% ) 4.000 2.000 2.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.42485E-03 ppm1 1.758 ppm2 1.646 CV 1 OR { 1260} (( segid " " and resid 2361 and name HD2 )) ( segid " " and resid 2313 and name HB% ) OR { 1260} (( segid " " and resid 2361 and name HD2 )) ( segid " " and resid 2358 and name HB% ) ASSI { 1262} ( segid " " and resid 2400 and name HG2%) ( segid " " and resid 2401 and name HB% ) 5.100 3.300 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.17494E-03 ppm1 0.929 ppm2 1.642 CV 1 OR { 1262} ( segid " " and resid 2431 and name HG1%) ( segid " " and resid 2432 and name HB% ) ASSI { 1268} (( segid " " and resid 2313 and name HA )) ( segid " " and resid 2313 and name HB% ) 3.600 3.600 2.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.61228E-03 ppm1 4.053 ppm2 1.654 CV 1 OR { 1268} (( segid " " and resid 2432 and name HA )) ( segid " " and resid 2432 and name HB% ) OR { 1268} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2428 and name HB% ) OR { 1268} (( segid " " and resid 2401 and name HA )) ( segid " " and resid 2401 and name HB% ) ASSI { 1271} ( segid " " and resid 2404 and name HG2%) ( segid " " and resid 2401 and name HB% ) 5.000 3.100 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 1.372 ppm2 1.656 CV 1 OR { 1271} ( segid " " and resid 2404 and name HG2%) ( segid " " and resid 2432 and name HB% ) ASSI { 1276} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HG2 )) 2.400 0.700 0.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.78097E-02 ppm1 1.769 ppm2 1.611 CV 1 OR { 1276} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2321 and name HG3 )) OR { 1276} (( segid " " and resid 2321 and name HD3 )) (( segid " " and resid 2321 and name HG2 )) OR { 1276} (( segid " " and resid 2476 and name HD2 )) (( segid " " and resid 2476 and name HG2 )) OR { 1276} (( segid " " and resid 2321 and name HD2 )) (( segid " " and resid 2321 and name HG3 )) ASSI { 1295} (( segid " " and resid 2433 and name HA )) ( segid " " and resid 2433 and name HB% ) 2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.60978E-02 ppm1 4.321 ppm2 1.627 CV 1 OR { 1295} (( segid " " and resid 2458 and name HA )) ( segid " " and resid 2458 and name HB% ) ASSI { 1298} (( segid " " and resid 2399 and name HG3 )) ( segid " " and resid 2403 and name HB% ) 4.100 2.100 1.900 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.59978E-03 ppm1 2.883 ppm2 1.618 CV 1 OR { 1298} (( segid " " and resid 2399 and name HG3 )) ( segid " " and resid 2402 and name HB% ) ASSI { 1299} (( segid " " and resid 2317 and name HB3 )) ( segid " " and resid 2318 and name HB% ) 5.300 3.500 0.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.24991E-03 ppm1 2.214 ppm2 1.604 CV 1 OR { 1299} (( segid " " and resid 2317 and name HB3 )) ( segid " " and resid 2314 and name HB% ) ASSI { 1301} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2313 and name HB% ) 3.700 1.700 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.68726E-03 ppm1 1.115 ppm2 1.608 CV 1 OR { 1301} ( segid " " and resid 2431 and name HG2%) ( segid " " and resid 2403 and name HB% ) ASSI { 1305} (( segid " " and resid 2363 and name HA )) ( segid " " and resid 2363 and name HB% ) 3.200 3.200 2.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 4.264 ppm2 1.604 CV 1 OR { 1305} (( segid " " and resid 2403 and name HA )) ( segid " " and resid 2403 and name HB% ) OR { 1305} (( segid " " and resid 2314 and name HA )) ( segid " " and resid 2314 and name HB% ) OR { 1305} (( segid " " and resid 2402 and name HA )) ( segid " " and resid 2402 and name HB% ) ASSI { 1313} (( segid " " and resid 2359 and name HA )) ( segid " " and resid 2459 and name HB% ) 2.800 1.000 1.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.30739E-02 ppm1 3.991 ppm2 1.623 CV 1 OR { 1313} (( segid " " and resid 2359 and name HA )) ( segid " " and resid 2362 and name HB% ) ASSI { 1350} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2466 and name HB% ) 5.200 3.400 0.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.27490E-03 ppm1 1.049 ppm2 1.588 CV 1 OR { 1350} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2355 and name HB% ) ASSI { 1354} (( segid " " and resid 2430 and name HG2 )) ( segid " " and resid 2403 and name HB% ) 4.700 2.800 1.300 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.44984E-03 ppm1 2.635 ppm2 1.593 CV 1 OR { 1354} (( segid " " and resid 2416 and name HG2 )) ( segid " " and resid 2413 and name HB% ) OR { 1354} (( segid " " and resid 2430 and name HG2 )) ( segid " " and resid 2433 and name HB% ) ASSI { 1356} (( segid " " and resid 2321 and name HB3 )) ( segid " " and resid 2318 and name HB% ) 5.200 3.300 0.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.19993E-03 ppm1 2.053 ppm2 1.595 CV 1 OR { 1356} (( segid " " and resid 2321 and name HB3 )) ( segid " " and resid 2320 and name HB% ) ASSI { 1357} (( segid " " and resid 2321 and name HD2 )) ( segid " " and resid 2318 and name HB% ) 4.900 3.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.19993E-03 ppm1 1.789 ppm2 1.591 CV 1 OR { 1357} (( segid " " and resid 2423 and name HD2 )) ( segid " " and resid 2413 and name HB% ) OR { 1357} (( segid " " and resid 2321 and name HD3 )) ( segid " " and resid 2318 and name HB% ) ASSI { 1362} (( segid " " and resid 2423 and name HE2 )) ( segid " " and resid 2413 and name HB% ) 3.700 1.700 1.700 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.47483E-03 ppm1 3.082 ppm2 1.582 CV 1 OR { 1362} (( segid " " and resid 2423 and name HE3 )) ( segid " " and resid 2413 and name HB% ) OR { 1362} (( segid " " and resid 2423 and name HE3 )) ( segid " " and resid 2410 and name HB% ) ASSI { 1367} (( segid " " and resid 2472 and name HB3 )) ( segid " " and resid 2473 and name HB% ) 4.400 2.400 1.600 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.57479E-03 ppm1 1.987 ppm2 1.585 CV 1 OR { 1367} (( segid " " and resid 2321 and name HB2 )) ( segid " " and resid 2318 and name HB% ) ASSI { 1377} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HD3 )) 3.200 1.300 1.300 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 3.081 ppm2 1.545 CV 1 OR { 1377} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HD3 )) OR { 1377} (( segid " " and resid 2423 and name HE3 )) (( segid " " and resid 2423 and name HG3 )) OR { 1377} (( segid " " and resid 2464 and name HE2 )) (( segid " " and resid 2464 and name HG2 )) OR { 1377} (( segid " " and resid 2464 and name HE3 )) (( segid " " and resid 2464 and name HG2 )) ASSI { 1378} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HD3 )) 4.500 4.500 1.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 3.039 ppm2 1.534 CV 1 OR { 1378} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HD3 )) OR { 1378} (( segid " " and resid 2454 and name HE3 )) (( segid " " and resid 2454 and name HG3 )) OR { 1378} (( segid " " and resid 2443 and name HE3 )) (( segid " " and resid 2443 and name HG2 )) OR { 1378} (( segid " " and resid 2476 and name HE3 )) (( segid " " and resid 2476 and name HG3 )) OR { 1378} (( segid " " and resid 2454 and name HE3 )) (( segid " " and resid 2454 and name HG2 )) OR { 1378} (( segid " " and resid 2476 and name HE2 )) (( segid " " and resid 2476 and name HG3 )) OR { 1378} (( segid " " and resid 2443 and name HE2 )) (( segid " " and resid 2443 and name HG2 )) OR { 1378} (( segid " " and resid 2454 and name HE2 )) (( segid " " and resid 2454 and name HG3 )) OR { 1378} (( segid " " and resid 2454 and name HE2 )) (( segid " " and resid 2454 and name HG2 )) OR { 1378} (( segid " " and resid 2322 and name HE3 )) (( segid " " and resid 2322 and name HG2 )) ASSI { 1384} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HG3 )) 3.700 1.700 1.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 3.104 ppm2 1.545 CV 1 OR { 1384} (( segid " " and resid 2333 and name HE2 )) (( segid " " and resid 2333 and name HG3 )) OR { 1384} (( segid " " and resid 2331 and name HE2 )) (( segid " " and resid 2331 and name HG2 )) OR { 1384} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HG3 )) OR { 1384} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HG3 )) OR { 1384} (( segid " " and resid 2331 and name HE3 )) (( segid " " and resid 2331 and name HG2 )) OR { 1384} (( segid " " and resid 2333 and name HE2 )) (( segid " " and resid 2333 and name HG2 )) OR { 1384} (( segid " " and resid 2333 and name HE3 )) (( segid " " and resid 2333 and name HG2 )) OR { 1384} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HG2 )) OR { 1384} (( segid " " and resid 2375 and name HE3 )) (( segid " " and resid 2375 and name HG3 )) ASSI { 1393} (( segid " " and resid 2309 and name HA )) (( segid " " and resid 2309 and name HB3 )) 3.200 1.300 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 4.044 ppm2 1.546 CV 1 OR { 1393} (( segid " " and resid 2438 and name HA )) (( segid " " and resid 2438 and name HB3 )) ASSI { 1404} (( segid " " and resid 2423 and name HB2 )) ( segid " " and resid 2410 and name HB% ) 4.500 2.600 1.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.29990E-03 ppm1 2.023 ppm2 1.562 CV 1 OR { 1404} (( segid " " and resid 2321 and name HB3 )) ( segid " " and resid 2320 and name HB% ) ASSI { 1411} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2326 and name HB2 )) 3.500 1.500 1.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.78720E-03 ppm1 1.025 ppm2 1.512 CV 1 OR { 1411} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2424 and name HB2 )) ASSI { 1432} (( segid " " and resid 2438 and name HG )) ( segid " " and resid 2397 and name HB% ) 4.600 2.600 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.48733E-03 ppm1 1.673 ppm2 1.499 CV 1 OR { 1432} (( segid " " and resid 2438 and name HG )) ( segid " " and resid 2396 and name HB% ) ASSI { 1433} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2397 and name HB% ) 3.200 1.300 1.300 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 0.949 ppm2 1.500 CV 1 OR { 1433} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2396 and name HB% ) ASSI { 1435} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2396 and name HB% ) 4.800 2.900 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.32488E-03 ppm1 1.069 ppm2 1.494 CV 1 OR { 1435} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2397 and name HB% ) ASSI { 1438} (( segid " " and resid 2393 and name HA )) ( segid " " and resid 2441 and name HB% ) 3.000 1.100 1.100 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.19118E-02 ppm1 3.837 ppm2 1.507 CV 1 OR { 1438} (( segid " " and resid 2393 and name HA )) ( segid " " and resid 2396 and name HB% ) ASSI { 1452} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2349 and name HB% ) 3.500 1.500 1.500 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 1.084 ppm2 1.478 CV 1 OR { 1452} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2349 and name HB% ) ASSI { 1458} (( segid " " and resid 2346 and name HA )) ( segid " " and resid 2349 and name HB% ) 4.000 2.000 2.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.36237E-03 ppm1 4.030 ppm2 1.481 CV 1 OR { 1458} (( segid " " and resid 2438 and name HA )) ( segid " " and resid 2396 and name HB% ) ASSI { 1473} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2478 and name HB% ) 4.200 2.200 1.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.71225E-03 ppm1 1.294 ppm2 1.413 CV 1 OR { 1473} ( segid " " and resid 2479 and name HB% ) ( segid " " and resid 2478 and name HB% ) ASSI { 1476} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2411 and name HB% ) 4.200 2.200 1.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.38736E-03 ppm1 1.086 ppm2 1.383 CV 1 OR { 1476} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2411 and name HB% ) ASSI { 1488} ( segid " " and resid 2326 and name HD1%) ( segid " " and resid 2411 and name HB% ) 4.400 2.400 1.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 1.004 ppm2 1.371 CV 1 OR { 1488} ( segid " " and resid 2424 and name HD2%) ( segid " " and resid 2411 and name HB% ) ASSI { 1503} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2345 and name HG13)) 2.100 0.500 0.500 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 1.001 ppm2 1.288 CV 1 OR { 1503} (( segid " " and resid 2445 and name HD2 )) (( segid " " and resid 2445 and name HD3 )) ASSI { 1567} (( segid " " and resid 2371 and name HB )) ( segid " " and resid 2371 and name HG1%) 3.100 1.200 1.200 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.15244E-02 ppm1 2.243 ppm2 1.177 CV 1 OR { 1567} (( segid " " and resid 2440 and name HB )) ( segid " " and resid 2440 and name HG1%) ASSI { 1607} ( segid " " and resid 2403 and name HB% ) ( segid " " and resid 2431 and name HG2%) 3.700 1.700 1.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.68726E-03 ppm1 1.591 ppm2 1.116 CV 1 OR { 1607} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2360 and name HG2%) ASSI { 1610} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2400 and name HG1%) 3.600 1.600 1.600 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.71225E-03 ppm1 0.902 ppm2 1.090 CV 1 OR { 1610} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2360 and name HG2%) ASSI { 1678} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2456 and name HD2%) 4.600 2.600 1.400 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.29990E-03 ppm1 1.586 ppm2 1.024 CV 1 OR { 1678} ( segid " " and resid 2366 and name HB% ) ( segid " " and resid 2456 and name HD2%) OR { 1678} ( segid " " and resid 2348 and name HB% ) ( segid " " and resid 2470 and name HD2%) ASSI { 1698} (( segid " " and resid 2346 and name HA )) ( segid " " and resid 2346 and name HD2%) 4.400 2.400 1.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.34987E-03 ppm1 3.992 ppm2 1.027 CV 1 OR { 1698} (( segid " " and resid 2359 and name HA )) ( segid " " and resid 2359 and name HD1%) OR { 1698} (( segid " " and resid 2424 and name HA )) ( segid " " and resid 2424 and name HD2%) ASSI { 1706} (( segid " " and resid 2346 and name HB2 )) ( segid " " and resid 2346 and name HD1%) 3.500 1.500 1.500 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 1.761 ppm2 1.032 CV 1 OR { 1706} (( segid " " and resid 2384 and name HB2 )) ( segid " " and resid 2384 and name HD1%) ASSI { 1727} (( segid " " and resid 2304 and name HB )) ( segid " " and resid 2304 and name HG2%) 3.000 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 2.017 ppm2 1.026 CV 1 OR { 1727} (( segid " " and resid 2425 and name HB )) ( segid " " and resid 2425 and name HG2%) ASSI { 1746} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2470 and name HD2%) 2.900 1.100 1.100 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.18868E-02 ppm1 1.068 ppm2 1.006 CV 1 OR { 1746} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2470 and name HD2%) ASSI { 1751} ( segid " " and resid 2424 and name HD1%) ( segid " " and resid 2470 and name HD2%) 2.700 0.900 0.900 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.36987E-02 ppm1 0.900 ppm2 1.002 CV 1 OR { 1751} ( segid " " and resid 2424 and name HD1%) ( segid " " and resid 2424 and name HD2%) ASSI { 1753} (( segid " " and resid 2439 and name HB2 )) ( segid " " and resid 2439 and name HD1%) 3.300 1.300 1.300 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.81218E-03 ppm1 2.059 ppm2 0.999 CV 1 OR { 1753} (( segid " " and resid 2456 and name HB3 )) ( segid " " and resid 2456 and name HD2%) ASSI { 1759} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2470 and name HD2%) 4.200 2.200 1.800 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.32488E-03 ppm1 1.380 ppm2 1.004 CV 1 OR { 1759} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2326 and name HD1%) ASSI { 1760} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2470 and name HD2%) 3.500 1.500 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 0.831 ppm2 1.009 CV 1 OR { 1760} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2424 and name HD2%) ASSI { 1835} (( segid " " and resid 2475 and name HG2 )) ( segid " " and resid 2425 and name HD1%) 3.000 1.100 1.100 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.18368E-02 ppm1 2.440 ppm2 0.957 CV 1 OR { 1835} (( segid " " and resid 2421 and name HG2 )) ( segid " " and resid 2425 and name HD1%) ASSI { 1837} (( segid " " and resid 2379 and name HG12)) ( segid " " and resid 2379 and name HD1%) 3.400 1.500 1.500 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.94968E-03 ppm1 1.222 ppm2 0.947 CV 1 OR { 1837} (( segid " " and resid 2295 and name HG13)) ( segid " " and resid 2295 and name HD1%) ASSI { 1845} ( segid " " and resid 2439 and name HD1%) ( segid " " and resid 2439 and name HD2%) 2.600 0.800 0.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.37362E-02 ppm1 0.984 ppm2 0.917 CV 1 OR { 1845} ( segid " " and resid 2456 and name HD2%) ( segid " " and resid 2439 and name HD2%) ASSI { 1854} (( segid " " and resid 2411 and name HA )) ( segid " " and resid 2424 and name HD1%) 3.900 1.900 1.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.38736E-03 ppm1 4.009 ppm2 0.913 CV 1 OR { 1854} (( segid " " and resid 2320 and name HA )) ( segid " " and resid 2323 and name HD1%) ASSI { 1855} ( segid " " and resid 2346 and name HD1%) ( segid " " and resid 2326 and name HD2%) 4.000 2.000 2.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.99965E-03 ppm1 1.051 ppm2 0.928 CV 1 OR { 1855} ( segid " " and resid 2346 and name HD1%) ( segid " " and resid 2323 and name HD1%) ASSI { 1890} ( segid " " and resid 2414 and name HB% ) ( segid " " and resid 2424 and name HD1%) 3.700 1.700 1.700 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 1.672 ppm2 0.895 CV 1 OR { 1890} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2424 and name HD1%) ASSI { 1982} ( segid " " and resid 2424 and name HD2%) ( segid " " and resid 2345 and name HD1%) 3.300 1.400 1.400 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.98713E-03 ppm1 1.002 ppm2 0.670 CV 1 OR { 1982} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2345 and name HD1%)
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