NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
17240 | 2bun | 6692 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 360} (( segid A and resid 15 and name HB1 )) (( segid A and resid 68 and name HD2 )) 2.500 0.800 0.800 peak 360 spectrum 1 weight 0.11000E+01 volume 0.62352E-02 ppm1 2.640 ppm2 7.405 CV 1 OR { 360} (( segid B and resid 15 and name HB1 )) (( segid B and resid 68 and name HD2 )) ASSI { 361} (( segid A and resid 15 and name HB2 )) (( segid A and resid 68 and name HD2 )) 2.500 0.800 0.800 peak 361 spectrum 1 weight 0.11000E+01 volume 0.56036E-02 ppm1 2.718 ppm2 7.403 CV 1 OR { 361} (( segid B and resid 15 and name HB2 )) (( segid B and resid 68 and name HD2 )) ASSI { 362} (( segid A and resid 16 and name HA )) ( segid A and resid 16 and name HD1%) 1.900 0.400 0.400 peak 362 spectrum 1 weight 0.11000E+01 volume 0.15589E-01 ppm1 4.798 ppm2 0.739 CV 1 OR { 362} (( segid B and resid 16 and name HA )) ( segid B and resid 16 and name HD1%) ASSI { 363} (( segid A and resid 16 and name HA )) (( segid A and resid 17 and name HN )) 2.100 0.500 0.500 peak 363 spectrum 1 weight 0.11000E+01 volume 0.10443E-01 ppm1 4.793 ppm2 9.093 CV 1 OR { 363} (( segid B and resid 16 and name HA )) (( segid B and resid 17 and name HN )) ASSI { 365} (( segid B and resid 16 and name HA )) (( segid B and resid 68 and name HA )) 1.900 0.400 0.400 peak 365 spectrum 1 weight 0.11000E+01 volume 0.87951E-02 ppm1 4.799 ppm2 5.132 CV 1 OR { 365} (( segid A and resid 16 and name HA )) (( segid A and resid 68 and name HA )) ASSI { 366} (( segid B and resid 16 and name HB2 )) (( segid B and resid 16 and name HA )) 2.600 0.900 0.900 peak 366 spectrum 1 weight 0.11000E+01 volume 0.35744E-02 ppm1 1.842 ppm2 4.778 CV 1 OR { 366} (( segid A and resid 16 and name HB2 )) (( segid A and resid 16 and name HA )) ASSI { 367} (( segid A and resid 16 and name HG )) (( segid A and resid 16 and name HA )) 2.900 1.100 1.100 peak 367 spectrum 1 weight 0.11000E+01 volume 0.35418E-02 ppm1 1.561 ppm2 4.781 CV 1 OR { 367} (( segid B and resid 16 and name HG )) (( segid B and resid 16 and name HA )) ASSI { 370} ( segid A and resid 16 and name HD1%) (( segid A and resid 68 and name HA )) 2.500 0.800 0.800 peak 370 spectrum 1 weight 0.11000E+01 volume 0.38502E-02 ppm1 0.763 ppm2 5.129 CV 1 OR { 370} ( segid B and resid 16 and name HD1%) (( segid B and resid 68 and name HA )) ASSI { 371} ( segid B and resid 16 and name HD1%) (( segid B and resid 68 and name HD2 )) 3.000 1.100 1.100 peak 371 spectrum 1 weight 0.11000E+01 volume 0.19749E-02 ppm1 0.759 ppm2 7.405 CV 1 OR { 371} ( segid A and resid 16 and name HD1%) (( segid A and resid 68 and name HD2 )) ASSI { 372} (( segid A and resid 17 and name HA )) (( segid A and resid 16 and name HA )) 2.900 1.100 1.100 peak 372 spectrum 1 weight 0.11000E+01 volume 0.22514E-02 ppm1 5.261 ppm2 4.778 CV 1 OR { 372} (( segid B and resid 17 and name HA )) (( segid B and resid 16 and name HA )) ASSI { 373} (( segid B and resid 17 and name HA )) (( segid B and resid 17 and name HN )) 2.400 0.700 0.700 peak 373 spectrum 1 weight 0.11000E+01 volume 0.29345E-02 ppm1 5.249 ppm2 9.097 CV 1 OR { 373} (( segid A and resid 17 and name HA )) (( segid A and resid 17 and name HN )) ASSI { 375} (( segid B and resid 17 and name HA )) (( segid B and resid 95 and name HA )) 1.600 0.300 0.600 peak 375 spectrum 1 weight 0.11000E+01 volume 0.25527E-01 ppm1 5.266 ppm2 4.952 CV 1 OR { 375} (( segid A and resid 17 and name HA )) (( segid A and resid 95 and name HA )) ASSI { 380} (( segid A and resid 17 and name HN )) (( segid A and resid 68 and name HA )) 3.300 1.400 1.400 peak 380 spectrum 1 weight 0.11000E+01 volume 0.13877E-02 ppm1 9.115 ppm2 5.130 CV 1 OR { 380} (( segid B and resid 17 and name HN )) (( segid B and resid 68 and name HA )) ASSI { 381} ( segid A and resid 17 and name HG1%) (( segid A and resid 17 and name HA )) 2.500 0.800 0.800 peak 381 spectrum 1 weight 0.11000E+01 volume 0.50937E-02 ppm1 0.880 ppm2 5.237 CV 1 OR { 381} ( segid B and resid 17 and name HG1%) (( segid B and resid 17 and name HA )) ASSI { 383} ( segid A and resid 17 and name HG2%) (( segid A and resid 17 and name HA )) 2.000 0.500 0.500 peak 383 spectrum 1 weight 0.11000E+01 volume 0.14167E-01 ppm1 0.957 ppm2 5.238 CV 1 OR { 383} ( segid B and resid 17 and name HG2%) (( segid B and resid 17 and name HA )) ASSI { 385} (( segid A and resid 18 and name HA )) (( segid A and resid 19 and name HN )) 2.500 0.800 0.800 peak 385 spectrum 1 weight 0.11000E+01 volume 0.32883E-02 ppm1 5.713 ppm2 9.387 CV 1 OR { 385} (( segid B and resid 18 and name HA )) (( segid B and resid 19 and name HN )) ASSI { 386} (( segid B and resid 18 and name HA )) (( segid B and resid 66 and name HA )) 2.100 0.600 0.600 peak 386 spectrum 1 weight 0.11000E+01 volume 0.81143E-02 ppm1 5.709 ppm2 5.862 CV 1 OR { 386} (( segid A and resid 18 and name HA )) (( segid A and resid 66 and name HA )) ASSI { 387} (( segid A and resid 18 and name HA )) (( segid A and resid 67 and name HN )) 3.500 1.500 1.500 peak 387 spectrum 1 weight 0.11000E+01 volume 0.16497E-02 ppm1 5.708 ppm2 8.563 CV 1 OR { 387} (( segid B and resid 18 and name HA )) (( segid B and resid 67 and name HN )) ASSI { 390} (( segid A and resid 19 and name HA )) (( segid A and resid 93 and name HA )) 1.800 0.400 0.400 peak 390 spectrum 1 weight 0.11000E+01 volume 0.23032E-01 ppm1 5.266 ppm2 5.183 CV 1 OR { 390} (( segid B and resid 19 and name HA )) (( segid B and resid 93 and name HA )) ASSI { 392} (( segid A and resid 19 and name HB1 )) (( segid A and resid 19 and name HA )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.11000E+01 volume 0.23985E-02 ppm1 2.653 ppm2 5.260 CV 1 OR { 392} (( segid B and resid 19 and name HB1 )) (( segid B and resid 19 and name HA )) ASSI { 394} (( segid A and resid 19 and name HB2 )) (( segid A and resid 18 and name HA )) 4.000 2.000 2.000 peak 394 spectrum 1 weight 0.11000E+01 volume 0.90016E-03 ppm1 2.938 ppm2 5.685 CV 1 OR { 394} (( segid B and resid 19 and name HB2 )) (( segid B and resid 18 and name HA )) ASSI { 395} (( segid B and resid 19 and name HB2 )) (( segid B and resid 19 and name HA )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.11000E+01 volume 0.78086E-02 ppm1 2.939 ppm2 5.260 CV 1 OR { 395} (( segid A and resid 19 and name HB2 )) (( segid A and resid 19 and name HA )) ASSI { 397} (( segid B and resid 19 and name HN )) (( segid B and resid 65 and name HN )) 2.900 1.100 1.100 peak 397 spectrum 1 weight 0.11000E+01 volume 0.14494E-02 ppm1 9.411 ppm2 9.561 CV 1 OR { 397} (( segid A and resid 19 and name HN )) (( segid A and resid 65 and name HN )) ASSI { 398} (( segid B and resid 20 and name HA )) (( segid B and resid 21 and name HN )) 2.300 0.700 0.700 peak 398 spectrum 1 weight 0.11000E+01 volume 0.54234E-02 ppm1 5.924 ppm2 8.749 CV 1 OR { 398} (( segid A and resid 20 and name HA )) (( segid A and resid 21 and name HN )) ASSI { 399} (( segid A and resid 20 and name HA )) (( segid A and resid 64 and name HA )) 2.100 0.600 0.600 peak 399 spectrum 1 weight 0.11000E+01 volume 0.82471E-02 ppm1 5.911 ppm2 5.406 CV 1 OR { 399} (( segid B and resid 20 and name HA )) (( segid B and resid 64 and name HA )) ASSI { 400} (( segid A and resid 20 and name HA )) (( segid A and resid 65 and name HN )) 3.200 1.300 1.300 peak 400 spectrum 1 weight 0.11000E+01 volume 0.18872E-02 ppm1 5.898 ppm2 9.564 CV 1 OR { 400} (( segid B and resid 20 and name HA )) (( segid B and resid 65 and name HN )) ASSI { 401} (( segid A and resid 21 and name HA )) ( segid A and resid 21 and name HD% ) 3.100 1.200 1.200 peak 401 spectrum 1 weight 0.11000E+01 volume 0.28114E-02 ppm1 5.498 ppm2 6.724 CV 1 OR { 401} (( segid B and resid 21 and name HA )) ( segid B and resid 21 and name HD% ) ASSI { 402} (( segid B and resid 21 and name HA )) (( segid B and resid 22 and name HN )) 2.500 0.800 0.800 peak 402 spectrum 1 weight 0.11000E+01 volume 0.41663E-02 ppm1 5.481 ppm2 8.677 CV 1 OR { 402} (( segid A and resid 21 and name HA )) (( segid A and resid 22 and name HN )) ASSI { 403} (( segid B and resid 21 and name HB1 )) (( segid B and resid 21 and name HA )) 2.500 0.800 0.800 peak 403 spectrum 1 weight 0.11000E+01 volume 0.36438E-02 ppm1 2.481 ppm2 5.463 CV 1 OR { 403} (( segid A and resid 21 and name HB1 )) (( segid A and resid 21 and name HA )) ASSI { 404} (( segid A and resid 21 and name HB1 )) ( segid A and resid 21 and name HD% ) 2.300 0.700 0.700 peak 404 spectrum 1 weight 0.11000E+01 volume 0.65768E-02 ppm1 2.482 ppm2 6.724 CV 1 OR { 404} (( segid B and resid 21 and name HB1 )) ( segid B and resid 21 and name HD% ) ASSI { 405} (( segid A and resid 21 and name HB1 )) (( segid A and resid 22 and name HN )) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.11000E+01 volume 0.13219E-02 ppm1 2.484 ppm2 8.675 CV 1 OR { 405} (( segid B and resid 21 and name HB1 )) (( segid B and resid 22 and name HN )) ASSI { 406} (( segid B and resid 21 and name HB1 )) (( segid B and resid 64 and name HA )) 2.700 2.700 3.300 peak 406 spectrum 1 weight 0.11000E+01 volume 0.59453E-02 ppm1 2.465 ppm2 5.413 CV 1 OR { 406} (( segid A and resid 21 and name HB1 )) (( segid A and resid 64 and name HA )) ASSI { 407} (( segid A and resid 21 and name HB2 )) (( segid A and resid 21 and name HA )) 2.500 0.800 0.800 peak 407 spectrum 1 weight 0.11000E+01 volume 0.44408E-02 ppm1 3.073 ppm2 5.463 CV 1 OR { 407} (( segid B and resid 21 and name HB2 )) (( segid B and resid 21 and name HA )) ASSI { 408} (( segid B and resid 21 and name HB2 )) ( segid B and resid 21 and name HD% ) 2.300 0.700 0.700 peak 408 spectrum 1 weight 0.11000E+01 volume 0.63955E-02 ppm1 3.064 ppm2 6.722 CV 1 OR { 408} (( segid A and resid 21 and name HB2 )) ( segid A and resid 21 and name HD% ) ASSI { 409} (( segid B and resid 21 and name HB2 )) (( segid B and resid 22 and name HN )) 2.900 1.100 1.100 peak 409 spectrum 1 weight 0.11000E+01 volume 0.17553E-02 ppm1 3.066 ppm2 8.674 CV 1 OR { 409} (( segid A and resid 21 and name HB2 )) (( segid A and resid 22 and name HN )) ASSI { 410} (( segid A and resid 21 and name HB2 )) (( segid A and resid 64 and name HA )) 2.700 2.700 3.300 peak 410 spectrum 1 weight 0.11000E+01 volume 0.91380E-02 ppm1 3.027 ppm2 5.406 CV 1 OR { 410} (( segid B and resid 21 and name HB2 )) (( segid B and resid 64 and name HA )) ASSI { 415} ( segid B and resid 21 and name HD% ) (( segid B and resid 22 and name HA )) 3.000 1.100 1.100 peak 415 spectrum 1 weight 0.11000E+01 volume 0.15599E-02 ppm1 6.755 ppm2 5.708 CV 1 OR { 415} ( segid A and resid 21 and name HD% ) (( segid A and resid 22 and name HA )) ASSI { 416} ( segid B and resid 21 and name HD% ) ( segid B and resid 88 and name HG2%) 2.300 0.700 0.700 peak 416 spectrum 1 weight 0.11000E+01 volume 0.84446E-02 ppm1 6.745 ppm2 0.210 CV 1 OR { 416} ( segid A and resid 21 and name HD% ) ( segid A and resid 88 and name HG2%) ASSI { 419} ( segid A and resid 21 and name HE% ) (( segid A and resid 85 and name HE1 )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.11000E+01 volume 0.35165E-02 ppm1 6.696 ppm2 7.173 CV 1 OR { 419} ( segid B and resid 21 and name HE% ) (( segid B and resid 85 and name HE1 )) ASSI { 421} (( segid A and resid 22 and name HA )) (( segid A and resid 62 and name HA )) 2.400 0.700 0.700 peak 421 spectrum 1 weight 0.11000E+01 volume 0.58062E-02 ppm1 5.731 ppm2 5.285 CV 1 OR { 421} (( segid B and resid 22 and name HA )) (( segid B and resid 62 and name HA )) ASSI { 422} (( segid B and resid 22 and name HB2 )) (( segid B and resid 22 and name HA )) 3.400 1.400 1.400 peak 422 spectrum 1 weight 0.11000E+01 volume 0.74401E-03 ppm1 1.830 ppm2 5.708 CV 1 OR { 422} (( segid A and resid 22 and name HB2 )) (( segid A and resid 22 and name HA )) ASSI { 425} (( segid B and resid 23 and name HB1 )) (( segid B and resid 23 and name HA )) 2.100 0.600 0.600 peak 425 spectrum 1 weight 0.11000E+01 volume 0.12746E-01 ppm1 3.699 ppm2 5.103 CV 1 OR { 425} (( segid A and resid 23 and name HB1 )) (( segid A and resid 23 and name HA )) ASSI { 426} (( segid A and resid 23 and name HB2 )) (( segid A and resid 23 and name HA )) 2.300 0.700 0.700 peak 426 spectrum 1 weight 0.11000E+01 volume 0.72672E-02 ppm1 3.817 ppm2 5.102 CV 1 OR { 426} (( segid B and resid 23 and name HB2 )) (( segid B and resid 23 and name HA )) ASSI { 428} (( segid B and resid 23 and name HN )) (( segid B and resid 23 and name HA )) 2.900 1.000 1.000 peak 428 spectrum 1 weight 0.11000E+01 volume 0.18827E-02 ppm1 9.675 ppm2 5.099 CV 1 OR { 428} (( segid A and resid 23 and name HN )) (( segid A and resid 23 and name HA )) ASSI { 430} (( segid A and resid 23 and name HN )) (( segid A and resid 62 and name HA )) 3.300 1.400 1.400 peak 430 spectrum 1 weight 0.11000E+01 volume 0.10984E-02 ppm1 9.672 ppm2 5.283 CV 1 OR { 430} (( segid B and resid 23 and name HN )) (( segid B and resid 62 and name HA )) ASSI { 431} (( segid B and resid 24 and name HA )) (( segid B and resid 60 and name HA )) 2.300 0.700 0.700 peak 431 spectrum 1 weight 0.11000E+01 volume 0.64661E-02 ppm1 5.122 ppm2 4.816 CV 1 OR { 431} (( segid A and resid 24 and name HA )) (( segid A and resid 60 and name HA )) ASSI { 432} (( segid A and resid 24 and name HG )) (( segid A and resid 24 and name HA )) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.11000E+01 volume 0.33487E-02 ppm1 1.750 ppm2 5.103 CV 1 OR { 432} (( segid B and resid 24 and name HG )) (( segid B and resid 24 and name HA )) ASSI { 434} (( segid B and resid 25 and name HA )) ( segid B and resid 61 and name HD% ) 3.100 1.200 1.200 peak 434 spectrum 1 weight 0.11000E+01 volume 0.13161E-02 ppm1 4.666 ppm2 7.704 CV 1 OR { 434} (( segid A and resid 25 and name HA )) ( segid A and resid 61 and name HD% ) ASSI { 435} (( segid B and resid 25 and name HA )) ( segid B and resid 61 and name HE% ) 2.800 1.000 1.000 peak 435 spectrum 1 weight 0.11000E+01 volume 0.27793E-02 ppm1 4.661 ppm2 7.265 CV 1 OR { 435} (( segid A and resid 25 and name HA )) ( segid A and resid 61 and name HE% ) ASSI { 437} ( segid A and resid 25 and name HB% ) ( segid A and resid 56 and name HE% ) 2.200 0.600 0.600 peak 437 spectrum 1 weight 0.11000E+01 volume 0.10171E-01 ppm1 1.300 ppm2 6.392 CV 1 OR { 437} ( segid B and resid 25 and name HB% ) ( segid B and resid 56 and name HE% ) ASSI { 438} ( segid B and resid 25 and name HB% ) (( segid B and resid 61 and name HZ )) 3.000 1.100 1.100 peak 438 spectrum 1 weight 0.11000E+01 volume 0.25449E-02 ppm1 1.273 ppm2 6.924 CV 1 OR { 438} ( segid A and resid 25 and name HB% ) (( segid A and resid 61 and name HZ )) ASSI { 439} ( segid A and resid 25 and name HB% ) ( segid A and resid 61 and name HD% ) 2.900 1.000 1.000 peak 439 spectrum 1 weight 0.11000E+01 volume 0.25131E-02 ppm1 1.279 ppm2 7.703 CV 1 OR { 439} ( segid B and resid 25 and name HB% ) ( segid B and resid 61 and name HD% ) ASSI { 440} ( segid A and resid 25 and name HB% ) ( segid A and resid 61 and name HE% ) 2.700 0.900 0.900 peak 440 spectrum 1 weight 0.11000E+01 volume 0.41418E-02 ppm1 1.285 ppm2 7.267 CV 1 OR { 440} ( segid B and resid 25 and name HB% ) ( segid B and resid 61 and name HE% ) ASSI { 442} (( segid B and resid 30 and name HB )) (( segid B and resid 30 and name HA )) 1.900 0.500 0.500 peak 442 spectrum 1 weight 0.11000E+01 volume 0.26032E-01 ppm1 4.763 ppm2 4.840 CV 1 OR { 442} (( segid A and resid 30 and name HB )) (( segid A and resid 30 and name HA )) ASSI { 443} ( segid B and resid 30 and name HG2%) (( segid B and resid 30 and name HA )) 2.100 0.500 0.500 peak 443 spectrum 1 weight 0.11000E+01 volume 0.16985E-01 ppm1 1.465 ppm2 4.841 CV 1 OR { 443} ( segid A and resid 30 and name HG2%) (( segid A and resid 30 and name HA )) ASSI { 444} ( segid B and resid 30 and name HG2%) (( segid B and resid 30 and name HB )) 1.900 0.500 0.500 peak 444 spectrum 1 weight 0.11000E+01 volume 0.25578E-01 ppm1 1.462 ppm2 4.744 CV 1 OR { 444} ( segid A and resid 30 and name HG2%) (( segid A and resid 30 and name HB )) ASSI { 445} (( segid B and resid 34 and name HA )) (( segid B and resid 34 and name HN )) 2.800 0.900 0.900 peak 445 spectrum 1 weight 0.11000E+01 volume 0.26526E-02 ppm1 4.042 ppm2 7.647 CV 1 OR { 445} (( segid A and resid 34 and name HA )) (( segid A and resid 34 and name HN )) ASSI { 446} (( segid B and resid 34 and name HA )) ( segid B and resid 37 and name HD1%) 2.500 0.800 0.800 peak 446 spectrum 1 weight 0.11000E+01 volume 0.48515E-02 ppm1 4.029 ppm2 0.442 CV 1 OR { 446} (( segid A and resid 34 and name HA )) ( segid A and resid 37 and name HD1%) ASSI { 448} ( segid B and resid 34 and name HD1%) (( segid B and resid 61 and name HZ )) 2.600 0.800 0.800 peak 448 spectrum 1 weight 0.11000E+01 volume 0.49082E-02 ppm1 0.746 ppm2 6.924 CV 1 OR { 448} ( segid A and resid 34 and name HD1%) (( segid A and resid 61 and name HZ )) ASSI { 449} ( segid B and resid 34 and name HD1%) ( segid B and resid 61 and name HE% ) 2.600 0.800 0.800 peak 449 spectrum 1 weight 0.11000E+01 volume 0.43181E-02 ppm1 0.744 ppm2 7.266 CV 1 OR { 449} ( segid A and resid 34 and name HD1%) ( segid A and resid 61 and name HE% ) ASSI { 450} (( segid A and resid 35 and name HA )) (( segid A and resid 35 and name HN )) 3.100 1.200 1.200 peak 450 spectrum 1 weight 0.11000E+01 volume 0.13492E-02 ppm1 4.018 ppm2 8.568 CV 1 OR { 450} (( segid B and resid 35 and name HA )) (( segid B and resid 35 and name HN )) ASSI { 452} (( segid A and resid 37 and name HG11)) ( segid A and resid 37 and name HD1%) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.51521E-02 ppm1 0.212 ppm2 0.439 CV 1 OR { 452} (( segid B and resid 37 and name HG11)) ( segid B and resid 37 and name HD1%) ASSI { 453} (( segid B and resid 37 and name HG11)) (( segid B and resid 501 and name H9 )) 3.200 1.300 1.300 peak 453 spectrum 1 weight 0.11000E+01 volume 0.15177E-02 ppm1 0.212 ppm2 7.966 CV 1 OR { 453} (( segid A and resid 37 and name HG11)) (( segid A and resid 501 and name H9 )) ASSI { 454} (( segid A and resid 37 and name HG12)) (( segid A and resid 37 and name HG11)) 2.100 0.500 0.500 peak 454 spectrum 1 weight 0.11000E+01 volume 0.60126E-02 ppm1 2.009 ppm2 0.191 CV 1 OR { 454} (( segid B and resid 37 and name HG12)) (( segid B and resid 37 and name HG11)) ASSI { 455} (( segid B and resid 37 and name HG12)) ( segid B and resid 37 and name HD1%) 2.400 0.700 0.700 peak 455 spectrum 1 weight 0.11000E+01 volume 0.64816E-02 ppm1 2.004 ppm2 0.442 CV 1 OR { 455} (( segid A and resid 37 and name HG12)) ( segid A and resid 37 and name HD1%) ASSI { 458} ( segid B and resid 37 and name HD1%) (( segid B and resid 61 and name HZ )) 2.700 2.700 3.300 peak 458 spectrum 1 weight 0.11000E+01 volume 0.35549E-02 ppm1 0.468 ppm2 6.925 CV 1 OR { 458} ( segid A and resid 37 and name HD1%) (( segid A and resid 61 and name HZ )) ASSI { 459} ( segid B and resid 37 and name HD1%) ( segid B and resid 61 and name HE% ) 2.900 2.900 3.100 peak 459 spectrum 1 weight 0.11000E+01 volume 0.23702E-02 ppm1 0.464 ppm2 7.266 CV 1 OR { 459} ( segid A and resid 37 and name HD1%) ( segid A and resid 61 and name HE% ) ASSI { 460} ( segid B and resid 37 and name HD1%) (( segid B and resid 501 and name H9 )) 3.000 3.000 3.000 peak 460 spectrum 1 weight 0.11000E+01 volume 0.18423E-02 ppm1 0.476 ppm2 7.967 CV 1 OR { 460} ( segid A and resid 37 and name HD1%) (( segid A and resid 501 and name H9 )) ASSI { 461} ( segid B and resid 37 and name HD1%) ( segid B and resid 501 and name HM7%) 3.100 1.200 1.200 peak 461 spectrum 1 weight 0.11000E+01 volume 0.24244E-02 ppm1 0.457 ppm2 1.219 CV 1 OR { 461} ( segid A and resid 37 and name HD1%) ( segid A and resid 501 and name HM7%) ASSI { 465} ( segid A and resid 37 and name HG2%) (( segid A and resid 37 and name HG11)) 3.300 1.400 1.400 peak 465 spectrum 1 weight 0.11000E+01 volume 0.22604E-02 ppm1 -0.655 ppm2 0.179 CV 1 OR { 465} ( segid B and resid 37 and name HG2%) (( segid B and resid 37 and name HG11)) ASSI { 466} ( segid B and resid 37 and name HG2%) ( segid B and resid 37 and name HD1%) 2.200 0.600 0.600 peak 466 spectrum 1 weight 0.11000E+01 volume 0.10093E-01 ppm1 -0.654 ppm2 0.446 CV 1 OR { 466} ( segid A and resid 37 and name HG2%) ( segid A and resid 37 and name HD1%) ASSI { 467} ( segid A and resid 37 and name HG2%) (( segid A and resid 38 and name HA )) 3.300 1.300 1.300 peak 467 spectrum 1 weight 0.11000E+01 volume 0.12434E-02 ppm1 -0.655 ppm2 3.535 CV 1 OR { 467} ( segid B and resid 37 and name HG2%) (( segid B and resid 38 and name HA )) ASSI { 468} ( segid B and resid 37 and name HG2%) (( segid B and resid 38 and name HN )) 3.000 1.100 1.100 peak 468 spectrum 1 weight 0.11000E+01 volume 0.19468E-02 ppm1 -0.651 ppm2 8.439 CV 1 OR { 468} ( segid A and resid 37 and name HG2%) (( segid A and resid 38 and name HN )) ASSI { 469} ( segid B and resid 37 and name HG2%) (( segid B and resid 501 and name H9 )) 3.000 3.000 3.000 peak 469 spectrum 1 weight 0.11000E+01 volume 0.24626E-02 ppm1 -0.648 ppm2 7.968 CV 1 OR { 469} ( segid A and resid 37 and name HG2%) (( segid A and resid 501 and name H9 )) ASSI { 470} (( segid B and resid 38 and name HA )) (( segid B and resid 38 and name HN )) 3.100 1.200 1.200 peak 470 spectrum 1 weight 0.11000E+01 volume 0.12121E-02 ppm1 3.580 ppm2 8.437 CV 1 OR { 470} (( segid A and resid 38 and name HA )) (( segid A and resid 38 and name HN )) ASSI { 471} (( segid B and resid 38 and name HB )) (( segid B and resid 38 and name HN )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.11000E+01 volume 0.32991E-02 ppm1 2.398 ppm2 8.433 CV 1 OR { 471} (( segid A and resid 38 and name HB )) (( segid A and resid 38 and name HN )) ASSI { 472} ( segid B and resid 38 and name HG1%) (( segid B and resid 37 and name HN )) 3.200 1.300 1.300 peak 472 spectrum 1 weight 0.11000E+01 volume 0.30431E-02 ppm1 1.201 ppm2 7.889 CV 1 OR { 472} ( segid A and resid 38 and name HG1%) (( segid A and resid 37 and name HN )) ASSI { 474} (( segid B and resid 44 and name HA )) (( segid B and resid 44 and name HD2 )) 3.500 1.600 1.600 peak 474 spectrum 1 weight 0.11000E+01 volume 0.68053E-03 ppm1 4.205 ppm2 7.150 CV 1 OR { 474} (( segid A and resid 44 and name HA )) (( segid A and resid 44 and name HD2 )) ASSI { 475} (( segid B and resid 44 and name HB1 )) (( segid B and resid 44 and name HD2 )) 2.900 1.100 1.100 peak 475 spectrum 1 weight 0.11000E+01 volume 0.21954E-02 ppm1 3.210 ppm2 7.150 CV 1 OR { 475} (( segid A and resid 44 and name HB1 )) (( segid A and resid 44 and name HD2 )) ASSI { 476} (( segid B and resid 44 and name HB2 )) (( segid B and resid 44 and name HD2 )) 3.000 1.100 1.100 peak 476 spectrum 1 weight 0.11000E+01 volume 0.23990E-02 ppm1 3.354 ppm2 7.145 CV 1 OR { 476} (( segid A and resid 44 and name HB2 )) (( segid A and resid 44 and name HD2 )) ASSI { 477} ( segid B and resid 48 and name HB% ) (( segid B and resid 44 and name HD2 )) 2.600 0.900 0.900 peak 477 spectrum 1 weight 0.11000E+01 volume 0.42304E-02 ppm1 1.135 ppm2 7.156 CV 1 OR { 477} ( segid A and resid 48 and name HB% ) (( segid A and resid 44 and name HD2 )) ASSI { 478} (( segid B and resid 50 and name HA )) (( segid B and resid 51 and name HN )) 2.300 0.600 0.600 peak 478 spectrum 1 weight 0.11000E+01 volume 0.76471E-02 ppm1 5.601 ppm2 8.763 CV 1 OR { 478} (( segid A and resid 50 and name HA )) (( segid A and resid 51 and name HN )) ASSI { 479} ( segid B and resid 50 and name HD1%) (( segid B and resid 50 and name HA )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.11000E+01 volume 0.79402E-02 ppm1 0.922 ppm2 5.576 CV 1 OR { 479} ( segid A and resid 50 and name HD1%) (( segid A and resid 50 and name HA )) ASSI { 480} (( segid A and resid 50 and name HB1 )) (( segid A and resid 50 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.11000E+01 volume 0.23271E-02 ppm1 1.595 ppm2 5.576 CV 1 OR { 480} (( segid B and resid 50 and name HB2 )) (( segid B and resid 50 and name HA )) OR { 480} (( segid A and resid 50 and name HB2 )) (( segid A and resid 50 and name HA )) OR { 480} (( segid B and resid 50 and name HB1 )) (( segid B and resid 50 and name HA )) ASSI { 483} ( segid A and resid 51 and name HG2%) (( segid A and resid 51 and name HA )) 1.900 0.500 0.500 peak 483 spectrum 1 weight 0.11000E+01 volume 0.25478E-01 ppm1 1.184 ppm2 4.819 CV 1 OR { 483} ( segid B and resid 51 and name HG2%) (( segid B and resid 51 and name HA )) ASSI { 485} (( segid B and resid 52 and name HA2 )) (( segid B and resid 53 and name HN )) 3.300 1.400 1.400 peak 485 spectrum 1 weight 0.11000E+01 volume 0.93557E-03 ppm1 5.400 ppm2 7.946 CV 1 OR { 485} (( segid A and resid 52 and name HA2 )) (( segid A and resid 53 and name HN )) OR { 485} (( segid B and resid 52 and name HA1 )) (( segid B and resid 53 and name HN )) ASSI { 486} (( segid B and resid 53 and name HN )) (( segid B and resid 64 and name HE3 )) 3.100 1.200 1.200 peak 486 spectrum 1 weight 0.11000E+01 volume 0.14095E-02 ppm1 7.963 ppm2 7.799 CV 1 OR { 486} (( segid A and resid 53 and name HN )) (( segid A and resid 64 and name HE3 )) ASSI { 487} ( segid A and resid 53 and name HB% ) (( segid A and resid 53 and name HA )) 2.400 0.700 0.700 peak 487 spectrum 1 weight 0.11000E+01 volume 0.67551E-02 ppm1 0.609 ppm2 4.168 CV 1 OR { 487} ( segid B and resid 53 and name HB% ) (( segid B and resid 53 and name HA )) ASSI { 488} ( segid A and resid 53 and name HB% ) ( segid A and resid 55 and name HD% ) 3.200 1.300 1.300 peak 488 spectrum 1 weight 0.11000E+01 volume 0.16482E-02 ppm1 0.587 ppm2 7.344 CV 1 OR { 488} ( segid B and resid 53 and name HB% ) ( segid B and resid 55 and name HD% ) ASSI { 489} ( segid B and resid 53 and name HB% ) ( segid B and resid 62 and name HD% ) 3.000 3.000 3.000 peak 489 spectrum 1 weight 0.11000E+01 volume 0.20445E-02 ppm1 0.588 ppm2 6.960 CV 1 OR { 489} ( segid A and resid 53 and name HB% ) ( segid A and resid 62 and name HD% ) ASSI { 490} ( segid B and resid 53 and name HB% ) (( segid B and resid 64 and name HE3 )) 3.000 1.100 1.100 peak 490 spectrum 1 weight 0.11000E+01 volume 0.20600E-02 ppm1 0.604 ppm2 7.798 CV 1 OR { 490} ( segid A and resid 53 and name HB% ) (( segid A and resid 64 and name HE3 )) ASSI { 491} ( segid B and resid 53 and name HB% ) (( segid B and resid 101 and name HZ )) 3.400 1.400 1.400 peak 491 spectrum 1 weight 0.11000E+01 volume 0.12352E-02 ppm1 0.600 ppm2 6.596 CV 1 OR { 491} ( segid A and resid 53 and name HB% ) (( segid A and resid 101 and name HZ )) ASSI { 492} ( segid B and resid 53 and name HB% ) ( segid B and resid 101 and name HD% ) 3.100 1.200 1.200 peak 492 spectrum 1 weight 0.11000E+01 volume 0.17379E-02 ppm1 0.611 ppm2 7.246 CV 1 OR { 492} ( segid A and resid 53 and name HB% ) ( segid A and resid 101 and name HD% ) ASSI { 493} ( segid B and resid 53 and name HB% ) ( segid B and resid 101 and name HE% ) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.53317E-02 ppm1 0.620 ppm2 6.848 CV 1 OR { 493} ( segid A and resid 53 and name HB% ) ( segid A and resid 101 and name HE% ) ASSI { 494} (( segid B and resid 54 and name HA )) (( segid B and resid 55 and name HN )) 2.500 0.800 0.800 peak 494 spectrum 1 weight 0.11000E+01 volume 0.42677E-02 ppm1 5.286 ppm2 10.036 CV 1 OR { 494} (( segid A and resid 54 and name HA )) (( segid A and resid 55 and name HN )) ASSI { 495} (( segid A and resid 54 and name HA )) ( segid A and resid 55 and name HD% ) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.11000E+01 volume 0.26919E-02 ppm1 5.280 ppm2 7.338 CV 1 OR { 495} (( segid B and resid 54 and name HA )) ( segid B and resid 55 and name HD% ) ASSI { 496} (( segid A and resid 55 and name HA )) (( segid A and resid 55 and name HN )) 2.900 1.100 1.100 peak 496 spectrum 1 weight 0.11000E+01 volume 0.17766E-02 ppm1 5.747 ppm2 10.030 CV 1 OR { 496} (( segid B and resid 55 and name HA )) (( segid B and resid 55 and name HN )) ASSI { 497} (( segid B and resid 55 and name HA )) ( segid B and resid 55 and name HD% ) 3.200 1.300 1.300 peak 497 spectrum 1 weight 0.11000E+01 volume 0.13622E-02 ppm1 5.735 ppm2 7.351 CV 1 OR { 497} (( segid A and resid 55 and name HA )) ( segid A and resid 55 and name HD% ) ASSI { 501} (( segid A and resid 55 and name HN )) (( segid A and resid 62 and name HN )) 3.500 3.500 2.500 peak 501 spectrum 1 weight 0.11000E+01 volume 0.63991E-03 ppm1 10.057 ppm2 8.950 CV 1 OR { 501} (( segid B and resid 55 and name HN )) (( segid B and resid 62 and name HN )) ASSI { 503} (( segid B and resid 55 and name HB1 )) (( segid B and resid 55 and name HA )) 2.700 2.700 3.300 peak 503 spectrum 1 weight 0.11000E+01 volume 0.30219E-02 ppm1 3.091 ppm2 5.718 CV 1 OR { 503} (( segid A and resid 55 and name HB1 )) (( segid A and resid 55 and name HA )) OR { 503} (( segid B and resid 55 and name HB2 )) (( segid B and resid 55 and name HA )) ASSI { 504} (( segid B and resid 55 and name HB2 )) (( segid B and resid 55 and name HN )) 3.600 3.600 2.400 peak 504 spectrum 1 weight 0.11000E+01 volume 0.55370E-03 ppm1 3.086 ppm2 10.022 CV 1 OR { 504} (( segid A and resid 55 and name HB2 )) (( segid A and resid 55 and name HN )) OR { 504} (( segid B and resid 55 and name HB1 )) (( segid B and resid 55 and name HN )) ASSI { 505} (( segid B and resid 55 and name HB1 )) ( segid B and resid 55 and name HD% ) 2.700 2.700 3.300 peak 505 spectrum 1 weight 0.11000E+01 volume 0.30866E-02 ppm1 3.095 ppm2 7.343 CV 1 OR { 505} (( segid A and resid 55 and name HB1 )) ( segid A and resid 55 and name HD% ) OR { 505} (( segid B and resid 55 and name HB2 )) ( segid B and resid 55 and name HD% ) OR { 505} (( segid A and resid 55 and name HB2 )) ( segid A and resid 55 and name HD% ) ASSI { 508} ( segid B and resid 55 and name HD% ) (( segid B and resid 55 and name HN )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.11000E+01 volume 0.16450E-02 ppm1 7.363 ppm2 10.028 CV 1 OR { 508} ( segid A and resid 55 and name HD% ) (( segid A and resid 55 and name HN )) ASSI { 510} ( segid A and resid 55 and name HD% ) (( segid A and resid 64 and name HZ3 )) 3.300 1.400 1.400 peak 510 spectrum 1 weight 0.11000E+01 volume 0.16976E-02 ppm1 7.368 ppm2 7.087 CV 1 OR { 510} ( segid B and resid 55 and name HD% ) (( segid B and resid 64 and name HZ3 )) ASSI { 511} ( segid A and resid 55 and name HE% ) (( segid A and resid 55 and name HZ )) 2.300 0.600 0.600 peak 511 spectrum 1 weight 0.11000E+01 volume 0.94509E-02 ppm1 7.190 ppm2 6.858 CV 1 OR { 511} ( segid B and resid 55 and name HE% ) (( segid B and resid 55 and name HZ )) ASSI { 512} ( segid A and resid 55 and name HE% ) ( segid A and resid 55 and name HD% ) 1.800 0.400 0.400 peak 512 spectrum 1 weight 0.11000E+01 volume 0.31396E-01 ppm1 7.214 ppm2 7.344 CV 1 OR { 512} ( segid B and resid 55 and name HE% ) ( segid B and resid 55 and name HD% ) ASSI { 513} ( segid B and resid 55 and name HE% ) (( segid B and resid 64 and name HZ3 )) 2.100 0.600 0.600 peak 513 spectrum 1 weight 0.11000E+01 volume 0.13114E-01 ppm1 7.202 ppm2 7.087 CV 1 OR { 513} ( segid A and resid 55 and name HE% ) (( segid A and resid 64 and name HZ3 )) ASSI { 514} (( segid B and resid 56 and name HA )) ( segid B and resid 56 and name HD% ) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.11000E+01 volume 0.31337E-02 ppm1 5.551 ppm2 6.537 CV 1 OR { 514} (( segid A and resid 56 and name HA )) ( segid A and resid 56 and name HD% ) ASSI { 515} (( segid A and resid 56 and name HA )) (( segid A and resid 61 and name HA )) 2.500 0.800 0.800 peak 515 spectrum 1 weight 0.11000E+01 volume 0.41704E-02 ppm1 5.551 ppm2 5.987 CV 1 OR { 515} (( segid B and resid 56 and name HA )) (( segid B and resid 61 and name HA )) ASSI { 516} (( segid A and resid 56 and name HA )) ( segid A and resid 61 and name HD% ) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.11000E+01 volume 0.29724E-02 ppm1 5.538 ppm2 7.704 CV 1 OR { 516} (( segid B and resid 56 and name HA )) ( segid B and resid 61 and name HD% ) ASSI { 517} (( segid B and resid 56 and name HB1 )) ( segid B and resid 56 and name HD% ) 2.500 0.800 0.800 peak 517 spectrum 1 weight 0.11000E+01 volume 0.53289E-02 ppm1 2.846 ppm2 6.537 CV 1 OR { 517} (( segid A and resid 56 and name HB1 )) ( segid A and resid 56 and name HD% ) ASSI { 518} (( segid B and resid 56 and name HB1 )) ( segid B and resid 56 and name HE% ) 3.900 1.900 1.900 peak 518 spectrum 1 weight 0.11000E+01 volume 0.10955E-02 ppm1 2.850 ppm2 6.391 CV 1 OR { 518} (( segid A and resid 56 and name HB1 )) ( segid A and resid 56 and name HE% ) ASSI { 519} (( segid B and resid 56 and name HB1 )) ( segid B and resid 61 and name HD% ) 3.300 1.400 1.400 peak 519 spectrum 1 weight 0.11000E+01 volume 0.28255E-02 ppm1 2.846 ppm2 7.706 CV 1 OR { 519} (( segid A and resid 56 and name HB1 )) ( segid A and resid 61 and name HD% ) ASSI { 520} (( segid B and resid 56 and name HB1 )) ( segid B and resid 61 and name HE% ) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.11000E+01 volume 0.26707E-02 ppm1 2.851 ppm2 7.268 CV 1 OR { 520} (( segid A and resid 56 and name HB1 )) ( segid A and resid 61 and name HE% ) ASSI { 521} (( segid A and resid 56 and name HB2 )) (( segid A and resid 56 and name HA )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.11000E+01 volume 0.25781E-02 ppm1 2.954 ppm2 5.530 CV 1 OR { 521} (( segid B and resid 56 and name HB2 )) (( segid B and resid 56 and name HA )) ASSI { 522} (( segid A and resid 56 and name HB2 )) ( segid A and resid 56 and name HD% ) 2.400 0.700 0.700 peak 522 spectrum 1 weight 0.11000E+01 volume 0.59728E-02 ppm1 2.951 ppm2 6.538 CV 1 OR { 522} (( segid B and resid 56 and name HB2 )) ( segid B and resid 56 and name HD% ) ASSI { 523} (( segid A and resid 56 and name HB2 )) ( segid A and resid 56 and name HE% ) 4.000 2.000 2.000 peak 523 spectrum 1 weight 0.11000E+01 volume 0.99432E-03 ppm1 2.960 ppm2 6.392 CV 1 OR { 523} (( segid B and resid 56 and name HB2 )) ( segid B and resid 56 and name HE% ) ASSI { 524} (( segid A and resid 56 and name HB2 )) ( segid A and resid 61 and name HE% ) 2.900 1.100 1.100 peak 524 spectrum 1 weight 0.11000E+01 volume 0.19983E-02 ppm1 2.943 ppm2 7.269 CV 1 OR { 524} (( segid B and resid 56 and name HB2 )) ( segid B and resid 61 and name HE% ) ASSI { 526} ( segid A and resid 56 and name HD% ) ( segid A and resid 56 and name HE% ) 1.800 0.400 0.400 peak 526 spectrum 1 weight 0.11000E+01 volume 0.33364E-01 ppm1 6.558 ppm2 6.392 CV 1 OR { 526} ( segid B and resid 56 and name HD% ) ( segid B and resid 56 and name HE% ) ASSI { 528} ( segid B and resid 56 and name HD% ) ( segid B and resid 61 and name HD% ) 2.900 1.000 1.000 peak 528 spectrum 1 weight 0.11000E+01 volume 0.21758E-02 ppm1 6.559 ppm2 7.702 CV 1 OR { 528} ( segid A and resid 56 and name HD% ) ( segid A and resid 61 and name HD% ) ASSI { 529} ( segid A and resid 56 and name HD% ) ( segid A and resid 61 and name HE% ) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.11000E+01 volume 0.24032E-02 ppm1 6.561 ppm2 7.269 CV 1 OR { 529} ( segid B and resid 56 and name HD% ) ( segid B and resid 61 and name HE% ) ASSI { 532} ( segid A and resid 56 and name HE% ) ( segid A and resid 61 and name HE% ) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.11000E+01 volume 0.57011E-03 ppm1 6.409 ppm2 7.267 CV 1 OR { 532} ( segid B and resid 56 and name HE% ) ( segid B and resid 61 and name HE% ) ASSI { 533} (( segid A and resid 59 and name HA1 )) ( segid A and resid 56 and name HE% ) 3.300 1.400 1.400 peak 533 spectrum 1 weight 0.11000E+01 volume 0.17984E-02 ppm1 3.520 ppm2 6.392 CV 1 OR { 533} (( segid B and resid 59 and name HA1 )) ( segid B and resid 56 and name HE% ) ASSI { 535} (( segid B and resid 60 and name HA )) (( segid B and resid 61 and name HN )) 2.400 0.700 0.700 peak 535 spectrum 1 weight 0.11000E+01 volume 0.59066E-02 ppm1 4.841 ppm2 8.729 CV 1 OR { 535} (( segid A and resid 60 and name HA )) (( segid A and resid 61 and name HN )) ASSI { 539} (( segid B and resid 61 and name HA )) (( segid B and resid 62 and name HN )) 2.400 2.400 3.600 peak 539 spectrum 1 weight 0.11000E+01 volume 0.52754E-02 ppm1 6.006 ppm2 8.954 CV 1 OR { 539} (( segid A and resid 61 and name HA )) (( segid A and resid 62 and name HN )) ASSI { 541} (( segid B and resid 61 and name HN )) (( segid B and resid 24 and name HA )) 3.100 1.200 1.200 peak 541 spectrum 1 weight 0.11000E+01 volume 0.13689E-02 ppm1 8.745 ppm2 5.101 CV 1 OR { 541} (( segid A and resid 61 and name HN )) (( segid A and resid 24 and name HA )) ASSI { 543} (( segid B and resid 61 and name HN )) (( segid B and resid 61 and name HA )) 3.200 1.300 1.300 peak 543 spectrum 1 weight 0.11000E+01 volume 0.99025E-03 ppm1 8.749 ppm2 5.992 CV 1 OR { 543} (( segid A and resid 61 and name HN )) (( segid A and resid 61 and name HA )) ASSI { 545} (( segid B and resid 61 and name HZ )) ( segid B and resid 21 and name HE% ) 3.200 3.200 2.800 peak 545 spectrum 1 weight 0.11000E+01 volume 0.14443E-02 ppm1 6.965 ppm2 6.682 CV 1 OR { 545} (( segid A and resid 61 and name HZ )) ( segid A and resid 21 and name HE% ) ASSI { 548} (( segid A and resid 61 and name HZ )) ( segid A and resid 56 and name HD% ) 3.000 1.100 1.100 peak 548 spectrum 1 weight 0.11000E+01 volume 0.24256E-02 ppm1 6.945 ppm2 6.543 CV 1 OR { 548} (( segid B and resid 61 and name HZ )) ( segid B and resid 56 and name HD% ) ASSI { 549} (( segid B and resid 61 and name HZ )) ( segid B and resid 61 and name HD% ) 3.500 1.600 1.600 peak 549 spectrum 1 weight 0.11000E+01 volume 0.15892E-02 ppm1 6.942 ppm2 7.699 CV 1 OR { 549} (( segid A and resid 61 and name HZ )) ( segid A and resid 61 and name HD% ) ASSI { 550} (( segid A and resid 61 and name HZ )) ( segid A and resid 61 and name HE% ) 2.000 0.500 0.500 peak 550 spectrum 1 weight 0.11000E+01 volume 0.18199E-01 ppm1 6.942 ppm2 7.267 CV 1 OR { 550} (( segid B and resid 61 and name HZ )) ( segid B and resid 61 and name HE% ) ASSI { 551} (( segid A and resid 61 and name HB2 )) (( segid A and resid 61 and name HA )) 2.700 0.900 0.900 peak 551 spectrum 1 weight 0.11000E+01 volume 0.29366E-02 ppm1 2.909 ppm2 5.986 CV 1 OR { 551} (( segid B and resid 61 and name HB1 )) (( segid B and resid 61 and name HA )) OR { 551} (( segid A and resid 61 and name HB1 )) (( segid A and resid 61 and name HA )) OR { 551} (( segid B and resid 61 and name HB2 )) (( segid B and resid 61 and name HA )) ASSI { 552} (( segid B and resid 61 and name HB1 )) (( segid B and resid 61 and name HN )) 2.900 1.100 1.100 peak 552 spectrum 1 weight 0.11000E+01 volume 0.19589E-02 ppm1 2.900 ppm2 8.732 CV 1 OR { 552} (( segid A and resid 61 and name HB2 )) (( segid A and resid 61 and name HN )) OR { 552} (( segid B and resid 61 and name HB2 )) (( segid B and resid 61 and name HN )) OR { 552} (( segid A and resid 61 and name HB1 )) (( segid A and resid 61 and name HN )) ASSI { 553} (( segid B and resid 61 and name HB1 )) ( segid B and resid 61 and name HD% ) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.11000E+01 volume 0.66563E-02 ppm1 2.914 ppm2 7.705 CV 1 OR { 553} (( segid A and resid 61 and name HB2 )) ( segid A and resid 61 and name HD% ) OR { 553} (( segid B and resid 61 and name HB2 )) ( segid B and resid 61 and name HD% ) OR { 553} (( segid A and resid 61 and name HB1 )) ( segid A and resid 61 and name HD% ) ASSI { 557} ( segid A and resid 61 and name HD% ) (( segid A and resid 61 and name HA )) 2.300 0.700 0.700 peak 557 spectrum 1 weight 0.11000E+01 volume 0.61341E-02 ppm1 7.725 ppm2 5.987 CV 1 OR { 557} ( segid B and resid 61 and name HD% ) (( segid B and resid 61 and name HA )) ASSI { 558} ( segid B and resid 61 and name HD% ) (( segid B and resid 61 and name HN )) 3.700 1.700 1.700 peak 558 spectrum 1 weight 0.11000E+01 volume 0.83883E-03 ppm1 7.723 ppm2 8.728 CV 1 OR { 558} ( segid A and resid 61 and name HD% ) (( segid A and resid 61 and name HN )) ASSI { 561} ( segid A and resid 61 and name HD% ) (( segid A and resid 62 and name HN )) 3.300 3.300 2.700 peak 561 spectrum 1 weight 0.11000E+01 volume 0.11842E-02 ppm1 7.727 ppm2 8.956 CV 1 OR { 561} ( segid B and resid 61 and name HD% ) (( segid B and resid 62 and name HN )) ASSI { 566} ( segid B and resid 61 and name HE% ) ( segid B and resid 61 and name HD% ) 2.000 0.500 0.500 peak 566 spectrum 1 weight 0.11000E+01 volume 0.15508E-01 ppm1 7.287 ppm2 7.705 CV 1 OR { 566} ( segid A and resid 61 and name HE% ) ( segid A and resid 61 and name HD% ) ASSI { 567} ( segid B and resid 61 and name HE% ) (( segid B and resid 85 and name HD2 )) 2.700 2.700 3.300 peak 567 spectrum 1 weight 0.11000E+01 volume 0.53468E-02 ppm1 7.277 ppm2 7.526 CV 1 OR { 567} ( segid A and resid 61 and name HE% ) (( segid A and resid 85 and name HD2 )) ASSI { 570} (( segid A and resid 62 and name HA )) (( segid A and resid 62 and name HN )) 2.800 2.800 3.200 peak 570 spectrum 1 weight 0.11000E+01 volume 0.24184E-02 ppm1 5.305 ppm2 8.954 CV 1 OR { 570} (( segid B and resid 62 and name HA )) (( segid B and resid 62 and name HN )) ASSI { 571} (( segid B and resid 62 and name HA )) ( segid B and resid 62 and name HD% ) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 5.304 ppm2 6.958 CV 1 OR { 571} (( segid A and resid 62 and name HA )) ( segid A and resid 62 and name HD% ) ASSI { 572} (( segid A and resid 62 and name HA )) (( segid A and resid 63 and name HN )) 2.600 2.600 3.400 peak 572 spectrum 1 weight 0.11000E+01 volume 0.31967E-02 ppm1 5.305 ppm2 8.494 CV 1 OR { 572} (( segid B and resid 62 and name HA )) (( segid B and resid 63 and name HN )) ASSI { 577} (( segid A and resid 62 and name HZ )) ( segid A and resid 62 and name HE% ) 1.800 0.400 0.400 peak 577 spectrum 1 weight 0.11000E+01 volume 0.41248E-01 ppm1 7.141 ppm2 7.063 CV 1 OR { 577} (( segid B and resid 62 and name HZ )) ( segid B and resid 62 and name HE% ) ASSI { 578} (( segid A and resid 62 and name HB1 )) (( segid A and resid 22 and name HA )) 3.600 1.600 1.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.12674E-02 ppm1 2.973 ppm2 5.710 CV 1 OR { 578} (( segid B and resid 62 and name HB2 )) (( segid B and resid 22 and name HA )) OR { 578} (( segid A and resid 62 and name HB2 )) (( segid A and resid 22 and name HA )) ASSI { 579} (( segid B and resid 62 and name HB1 )) ( segid B and resid 55 and name HD% ) 3.100 1.200 1.200 peak 579 spectrum 1 weight 0.11000E+01 volume 0.22057E-02 ppm1 2.978 ppm2 7.343 CV 1 OR { 579} (( segid B and resid 62 and name HB2 )) ( segid B and resid 55 and name HD% ) OR { 579} (( segid A and resid 62 and name HB1 )) ( segid A and resid 55 and name HD% ) ASSI { 580} (( segid A and resid 62 and name HB1 )) (( segid A and resid 62 and name HA )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.11000E+01 volume 0.59893E-02 ppm1 2.963 ppm2 5.283 CV 1 OR { 580} (( segid B and resid 62 and name HB2 )) (( segid B and resid 62 and name HA )) OR { 580} (( segid A and resid 62 and name HB2 )) (( segid A and resid 62 and name HA )) OR { 580} (( segid B and resid 62 and name HB1 )) (( segid B and resid 62 and name HA )) ASSI { 581} (( segid B and resid 62 and name HB2 )) ( segid B and resid 62 and name HD% ) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.11000E+01 volume 0.81568E-02 ppm1 2.974 ppm2 6.960 CV 1 OR { 581} (( segid A and resid 62 and name HB1 )) ( segid A and resid 62 and name HD% ) OR { 581} (( segid A and resid 62 and name HB2 )) ( segid A and resid 62 and name HD% ) OR { 581} (( segid B and resid 62 and name HB1 )) ( segid B and resid 62 and name HD% ) ASSI { 582} (( segid B and resid 62 and name HB2 )) ( segid B and resid 62 and name HE% ) 3.900 1.900 1.900 peak 582 spectrum 1 weight 0.11000E+01 volume 0.11177E-02 ppm1 2.971 ppm2 7.056 CV 1 OR { 582} (( segid A and resid 62 and name HB1 )) ( segid A and resid 62 and name HE% ) OR { 582} (( segid A and resid 62 and name HB2 )) ( segid A and resid 62 and name HE% ) OR { 582} (( segid B and resid 62 and name HB1 )) ( segid B and resid 62 and name HE% ) ASSI { 583} ( segid B and resid 62 and name HD% ) ( segid B and resid 55 and name HD% ) 2.800 1.000 1.000 peak 583 spectrum 1 weight 0.11000E+01 volume 0.23362E-02 ppm1 6.985 ppm2 7.344 CV 1 OR { 583} ( segid A and resid 62 and name HD% ) ( segid A and resid 55 and name HD% ) ASSI { 585} ( segid B and resid 62 and name HD% ) ( segid B and resid 62 and name HE% ) 1.800 0.400 0.400 peak 585 spectrum 1 weight 0.11000E+01 volume 0.37403E-01 ppm1 6.981 ppm2 7.056 CV 1 OR { 585} ( segid A and resid 62 and name HD% ) ( segid A and resid 62 and name HE% ) ASSI { 591} (( segid B and resid 64 and name HA )) ( segid B and resid 21 and name HE% ) 3.300 1.300 1.300 peak 591 spectrum 1 weight 0.11000E+01 volume 0.19734E-02 ppm1 5.424 ppm2 6.687 CV 1 OR { 591} (( segid A and resid 64 and name HA )) ( segid A and resid 21 and name HE% ) ASSI { 592} (( segid B and resid 64 and name HA )) (( segid B and resid 64 and name HD1 )) 4.000 2.000 2.000 peak 592 spectrum 1 weight 0.11000E+01 volume 0.49967E-03 ppm1 5.412 ppm2 6.857 CV 1 OR { 592} (( segid A and resid 64 and name HA )) (( segid A and resid 64 and name HD1 )) ASSI { 593} (( segid B and resid 64 and name HA )) (( segid B and resid 64 and name HE3 )) 3.500 1.500 1.500 peak 593 spectrum 1 weight 0.11000E+01 volume 0.15522E-02 ppm1 5.429 ppm2 7.799 CV 1 OR { 593} (( segid A and resid 64 and name HA )) (( segid A and resid 64 and name HE3 )) ASSI { 594} (( segid A and resid 64 and name HA )) (( segid A and resid 65 and name HN )) 2.200 0.600 0.600 peak 594 spectrum 1 weight 0.11000E+01 volume 0.53268E-02 ppm1 5.422 ppm2 9.560 CV 1 OR { 594} (( segid B and resid 64 and name HA )) (( segid B and resid 65 and name HN )) ASSI { 595} (( segid B and resid 64 and name HD1 )) (( segid B and resid 64 and name HZ2 )) 2.700 2.700 3.300 peak 595 spectrum 1 weight 0.11000E+01 volume 0.96291E-02 ppm1 6.855 ppm2 7.140 CV 1 OR { 595} (( segid A and resid 64 and name HD1 )) (( segid A and resid 64 and name HZ2 )) ASSI { 599} (( segid A and resid 64 and name HN )) (( segid A and resid 63 and name HA )) 2.700 2.700 3.300 peak 599 spectrum 1 weight 0.11000E+01 volume 0.28210E-02 ppm1 8.697 ppm2 5.525 CV 1 OR { 599} (( segid B and resid 64 and name HN )) (( segid B and resid 63 and name HA )) ASSI { 600} (( segid A and resid 64 and name HN )) (( segid A and resid 64 and name HE3 )) 3.300 3.300 2.700 peak 600 spectrum 1 weight 0.11000E+01 volume 0.94395E-03 ppm1 8.695 ppm2 7.795 CV 1 OR { 600} (( segid B and resid 64 and name HN )) (( segid B and resid 64 and name HE3 )) ASSI { 602} (( segid B and resid 64 and name HZ2 )) (( segid B and resid 64 and name HH2 )) 2.200 0.600 0.600 peak 602 spectrum 1 weight 0.11000E+01 volume 0.12461E-01 ppm1 7.158 ppm2 7.489 CV 1 OR { 602} (( segid A and resid 64 and name HZ2 )) (( segid A and resid 64 and name HH2 )) ASSI { 603} (( segid A and resid 64 and name HZ2 )) (( segid A and resid 101 and name HZ )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.11000E+01 volume 0.41940E-02 ppm1 7.134 ppm2 6.595 CV 1 OR { 603} (( segid B and resid 64 and name HZ2 )) (( segid B and resid 101 and name HZ )) ASSI { 604} (( segid A and resid 64 and name HZ2 )) ( segid A and resid 101 and name HD% ) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.11000E+01 volume 0.72397E-02 ppm1 7.137 ppm2 7.250 CV 1 OR { 604} (( segid B and resid 64 and name HZ2 )) ( segid B and resid 101 and name HD% ) ASSI { 605} (( segid B and resid 64 and name HZ3 )) (( segid B and resid 64 and name HE3 )) 2.300 0.600 0.600 peak 605 spectrum 1 weight 0.11000E+01 volume 0.90608E-02 ppm1 7.109 ppm2 7.798 CV 1 OR { 605} (( segid A and resid 64 and name HZ3 )) (( segid A and resid 64 and name HE3 )) ASSI { 606} (( segid A and resid 64 and name HZ3 )) (( segid A and resid 64 and name HH2 )) 2.800 1.000 1.000 peak 606 spectrum 1 weight 0.11000E+01 volume 0.22846E-02 ppm1 7.111 ppm2 7.490 CV 1 OR { 606} (( segid B and resid 64 and name HZ3 )) (( segid B and resid 64 and name HH2 )) ASSI { 607} (( segid A and resid 64 and name HB2 )) (( segid A and resid 64 and name HE3 )) 3.100 1.200 1.200 peak 607 spectrum 1 weight 0.11000E+01 volume 0.13597E-02 ppm1 3.037 ppm2 7.800 CV 1 OR { 607} (( segid B and resid 64 and name HB1 )) (( segid B and resid 64 and name HE3 )) OR { 607} (( segid A and resid 64 and name HB1 )) (( segid A and resid 64 and name HE3 )) ASSI { 609} (( segid B and resid 65 and name HA )) (( segid B and resid 66 and name HN )) 2.500 0.800 0.800 peak 609 spectrum 1 weight 0.11000E+01 volume 0.42716E-02 ppm1 5.327 ppm2 8.887 CV 1 OR { 609} (( segid A and resid 65 and name HA )) (( segid A and resid 66 and name HN )) ASSI { 610} (( segid A and resid 65 and name HB1 )) (( segid A and resid 65 and name HA )) 2.400 0.700 0.700 peak 610 spectrum 1 weight 0.11000E+01 volume 0.50881E-02 ppm1 1.634 ppm2 5.309 CV 1 OR { 610} (( segid B and resid 65 and name HB1 )) (( segid B and resid 65 and name HA )) ASSI { 611} (( segid A and resid 65 and name HB2 )) (( segid A and resid 65 and name HA )) 2.600 0.800 0.800 peak 611 spectrum 1 weight 0.11000E+01 volume 0.35875E-02 ppm1 1.763 ppm2 5.309 CV 1 OR { 611} (( segid B and resid 65 and name HB2 )) (( segid B and resid 65 and name HA )) ASSI { 612} (( segid A and resid 65 and name HG )) (( segid A and resid 65 and name HA )) 2.700 0.900 0.900 peak 612 spectrum 1 weight 0.11000E+01 volume 0.46946E-02 ppm1 1.799 ppm2 5.307 CV 1 OR { 612} (( segid B and resid 65 and name HG )) (( segid B and resid 65 and name HA )) ASSI { 615} (( segid A and resid 65 and name HN )) (( segid A and resid 65 and name HA )) 3.100 1.200 1.200 peak 615 spectrum 1 weight 0.11000E+01 volume 0.10452E-02 ppm1 9.596 ppm2 5.312 CV 1 OR { 615} (( segid B and resid 65 and name HN )) (( segid B and resid 65 and name HA )) ASSI { 616} ( segid A and resid 65 and name HD2%) (( segid A and resid 65 and name HA )) 2.900 1.100 1.100 peak 616 spectrum 1 weight 0.11000E+01 volume 0.49476E-02 ppm1 1.001 ppm2 5.313 CV 1 OR { 616} ( segid B and resid 65 and name HD2%) (( segid B and resid 65 and name HA )) ASSI { 618} (( segid A and resid 66 and name HA )) (( segid A and resid 67 and name HN )) 2.300 0.600 0.600 peak 618 spectrum 1 weight 0.11000E+01 volume 0.55786E-02 ppm1 5.880 ppm2 8.562 CV 1 OR { 618} (( segid B and resid 66 and name HA )) (( segid B and resid 67 and name HN )) ASSI { 619} (( segid A and resid 66 and name HB1 )) (( segid A and resid 66 and name HA )) 2.500 0.800 0.800 peak 619 spectrum 1 weight 0.11000E+01 volume 0.27449E-02 ppm1 2.021 ppm2 5.861 CV 1 OR { 619} (( segid B and resid 66 and name HB1 )) (( segid B and resid 66 and name HA )) ASSI { 620} (( segid B and resid 66 and name HB2 )) (( segid B and resid 66 and name HA )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.11000E+01 volume 0.71092E-02 ppm1 2.459 ppm2 5.867 CV 1 OR { 620} (( segid A and resid 66 and name HB2 )) (( segid A and resid 66 and name HA )) ASSI { 622} (( segid A and resid 66 and name HN )) (( segid A and resid 66 and name HA )) 2.900 1.000 1.000 peak 622 spectrum 1 weight 0.11000E+01 volume 0.16632E-02 ppm1 8.894 ppm2 5.867 CV 1 OR { 622} (( segid B and resid 66 and name HN )) (( segid B and resid 66 and name HA )) ASSI { 626} (( segid A and resid 68 and name HA )) (( segid A and resid 68 and name HD2 )) 2.400 0.700 0.700 peak 626 spectrum 1 weight 0.11000E+01 volume 0.69417E-02 ppm1 5.156 ppm2 7.404 CV 1 OR { 626} (( segid B and resid 68 and name HA )) (( segid B and resid 68 and name HD2 )) ASSI { 627} (( segid A and resid 68 and name HB1 )) (( segid A and resid 68 and name HA )) 2.300 0.700 0.700 peak 627 spectrum 1 weight 0.11000E+01 volume 0.79983E-02 ppm1 3.195 ppm2 5.130 CV 1 OR { 627} (( segid B and resid 68 and name HB1 )) (( segid B and resid 68 and name HA )) ASSI { 628} (( segid A and resid 68 and name HB1 )) (( segid A and resid 68 and name HD2 )) 2.600 0.800 0.800 peak 628 spectrum 1 weight 0.11000E+01 volume 0.11575E-01 ppm1 3.195 ppm2 7.402 CV 1 OR { 628} (( segid B and resid 68 and name HB1 )) (( segid B and resid 68 and name HD2 )) ASSI { 631} (( segid A and resid 68 and name HD2 )) (( segid A and resid 68 and name HE1 )) 3.400 1.500 1.500 peak 631 spectrum 1 weight 0.11000E+01 volume 0.16396E-02 ppm1 7.421 ppm2 7.984 CV 1 OR { 631} (( segid B and resid 68 and name HD2 )) (( segid B and resid 68 and name HE1 )) ASSI { 633} (( segid A and resid 69 and name HD1 )) (( segid A and resid 16 and name HA )) 3.000 1.100 1.100 peak 633 spectrum 1 weight 0.11000E+01 volume 0.11609E-02 ppm1 2.826 ppm2 4.780 CV 1 OR { 633} (( segid B and resid 69 and name HD1 )) (( segid B and resid 16 and name HA )) ASSI { 634} (( segid A and resid 69 and name HD1 )) (( segid A and resid 68 and name HA )) 2.200 0.600 0.600 peak 634 spectrum 1 weight 0.11000E+01 volume 0.86635E-02 ppm1 2.826 ppm2 5.129 CV 1 OR { 634} (( segid B and resid 69 and name HD1 )) (( segid B and resid 68 and name HA )) ASSI { 635} (( segid A and resid 69 and name HD1 )) (( segid A and resid 68 and name HD2 )) 3.800 1.800 1.800 peak 635 spectrum 1 weight 0.11000E+01 volume 0.15455E-02 ppm1 2.818 ppm2 7.403 CV 1 OR { 635} (( segid B and resid 69 and name HD1 )) (( segid B and resid 68 and name HD2 )) ASSI { 636} (( segid B and resid 69 and name HD2 )) (( segid B and resid 16 and name HA )) 2.800 1.000 1.000 peak 636 spectrum 1 weight 0.11000E+01 volume 0.28704E-02 ppm1 3.421 ppm2 4.779 CV 1 OR { 636} (( segid A and resid 69 and name HD2 )) (( segid A and resid 16 and name HA )) ASSI { 637} (( segid A and resid 69 and name HG2 )) (( segid A and resid 68 and name HA )) 3.300 1.400 1.400 peak 637 spectrum 1 weight 0.11000E+01 volume 0.49441E-02 ppm1 2.000 ppm2 5.129 CV 1 OR { 637} (( segid B and resid 69 and name HG2 )) (( segid B and resid 68 and name HA )) OR { 637} (( segid A and resid 69 and name HG1 )) (( segid A and resid 68 and name HA )) OR { 637} (( segid B and resid 69 and name HG1 )) (( segid B and resid 68 and name HA )) ASSI { 638} (( segid A and resid 69 and name HG2 )) (( segid A and resid 68 and name HE1 )) 2.800 1.000 1.000 peak 638 spectrum 1 weight 0.11000E+01 volume 0.32286E-02 ppm1 1.997 ppm2 7.983 CV 1 OR { 638} (( segid B and resid 69 and name HG2 )) (( segid B and resid 68 and name HE1 )) OR { 638} (( segid A and resid 69 and name HG1 )) (( segid A and resid 68 and name HE1 )) ASSI { 639} ( segid A and resid 70 and name HB% ) (( segid A and resid 68 and name HE1 )) 2.000 0.500 0.500 peak 639 spectrum 1 weight 0.11000E+01 volume 0.26399E-01 ppm1 1.643 ppm2 7.984 CV 1 OR { 639} ( segid B and resid 70 and name HB% ) (( segid B and resid 68 and name HE1 )) ASSI { 642} (( segid A and resid 72 and name HA )) (( segid A and resid 72 and name HN )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.11000E+01 volume 0.42844E-02 ppm1 3.452 ppm2 8.337 CV 1 OR { 642} (( segid B and resid 72 and name HA )) (( segid B and resid 72 and name HN )) ASSI { 643} (( segid B and resid 72 and name HA )) (( segid B and resid 76 and name HN )) 3.500 1.600 1.600 peak 643 spectrum 1 weight 0.11000E+01 volume 0.10400E-02 ppm1 3.443 ppm2 8.508 CV 1 OR { 643} (( segid A and resid 72 and name HA )) (( segid A and resid 76 and name HN )) ASSI { 644} (( segid B and resid 72 and name HB )) (( segid B and resid 72 and name HN )) 2.500 0.800 0.800 peak 644 spectrum 1 weight 0.11000E+01 volume 0.61083E-02 ppm1 1.850 ppm2 8.339 CV 1 OR { 644} (( segid A and resid 72 and name HB )) (( segid A and resid 72 and name HN )) ASSI { 648} ( segid B and resid 73 and name HB% ) (( segid B and resid 70 and name HA )) 1.700 0.400 0.500 peak 648 spectrum 1 weight 0.11000E+01 volume 0.40372E-01 ppm1 1.495 ppm2 4.306 CV 1 OR { 648} ( segid A and resid 73 and name HB% ) (( segid A and resid 70 and name HA )) ASSI { 649} ( segid B and resid 75 and name HG2%) (( segid B and resid 44 and name HD2 )) 2.000 2.000 4.000 peak 649 spectrum 1 weight 0.11000E+01 volume 0.10778E-01 ppm1 0.844 ppm2 7.151 CV 1 OR { 649} ( segid A and resid 75 and name HG2%) (( segid A and resid 44 and name HD2 )) ASSI { 654} ( segid B and resid 76 and name HE% ) ( segid B and resid 21 and name HD% ) 2.700 0.900 0.900 peak 654 spectrum 1 weight 0.11000E+01 volume 0.38492E-02 ppm1 1.368 ppm2 6.728 CV 1 OR { 654} ( segid A and resid 76 and name HE% ) ( segid A and resid 21 and name HD% ) ASSI { 655} ( segid B and resid 76 and name HE% ) ( segid B and resid 21 and name HE% ) 2.500 0.800 0.800 peak 655 spectrum 1 weight 0.11000E+01 volume 0.53095E-02 ppm1 1.350 ppm2 6.675 CV 1 OR { 655} ( segid A and resid 76 and name HE% ) ( segid A and resid 21 and name HE% ) ASSI { 656} ( segid B and resid 76 and name HE% ) ( segid B and resid 88 and name HG2%) 2.700 0.900 0.900 peak 656 spectrum 1 weight 0.11000E+01 volume 0.56331E-02 ppm1 1.366 ppm2 0.208 CV 1 OR { 656} ( segid A and resid 76 and name HE% ) ( segid A and resid 88 and name HG2%) ASSI { 657} (( segid B and resid 79 and name HB )) ( segid B and resid 79 and name HD1%) 2.200 0.600 0.600 peak 657 spectrum 1 weight 0.11000E+01 volume 0.94909E-02 ppm1 1.498 ppm2 0.157 CV 1 OR { 657} (( segid A and resid 79 and name HB )) ( segid A and resid 79 and name HD1%) ASSI { 658} (( segid A and resid 79 and name HB )) ( segid A and resid 79 and name HG2%) 2.000 0.500 0.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.14705E-01 ppm1 1.500 ppm2 0.094 CV 1 OR { 658} (( segid B and resid 79 and name HB )) ( segid B and resid 79 and name HG2%) ASSI { 660} (( segid B and resid 79 and name HG11)) (( segid B and resid 79 and name HA )) 2.900 1.100 1.100 peak 660 spectrum 1 weight 0.11000E+01 volume 0.27265E-02 ppm1 -0.904 ppm2 3.630 CV 1 OR { 660} (( segid A and resid 79 and name HG11)) (( segid A and resid 79 and name HA )) ASSI { 661} (( segid A and resid 79 and name HG11)) (( segid A and resid 79 and name HG12)) 2.000 0.500 0.500 peak 661 spectrum 1 weight 0.11000E+01 volume 0.68490E-02 ppm1 -0.899 ppm2 1.095 CV 1 OR { 661} (( segid B and resid 79 and name HG11)) (( segid B and resid 79 and name HG12)) ASSI { 663} (( segid B and resid 79 and name HG11)) ( segid B and resid 79 and name HG2%) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.11000E+01 volume 0.37891E-02 ppm1 -0.906 ppm2 0.096 CV 1 OR { 663} (( segid A and resid 79 and name HG11)) ( segid A and resid 79 and name HG2%) ASSI { 664} ( segid A and resid 79 and name HD1%) ( segid A and resid 21 and name HE% ) 2.300 0.600 0.600 peak 664 spectrum 1 weight 0.11000E+01 volume 0.83584E-02 ppm1 0.172 ppm2 6.674 CV 1 OR { 664} ( segid B and resid 79 and name HD1%) ( segid B and resid 21 and name HE% ) ASSI { 671} ( segid A and resid 79 and name HG2%) ( segid A and resid 21 and name HE% ) 2.500 0.800 0.800 peak 671 spectrum 1 weight 0.11000E+01 volume 0.54929E-02 ppm1 0.098 ppm2 6.674 CV 1 OR { 671} ( segid B and resid 79 and name HG2%) ( segid B and resid 21 and name HE% ) ASSI { 674} (( segid B and resid 82 and name HB1 )) (( segid B and resid 85 and name HD2 )) 2.600 0.800 0.800 peak 674 spectrum 1 weight 0.11000E+01 volume 0.42756E-02 ppm1 2.683 ppm2 7.520 CV 1 OR { 674} (( segid A and resid 82 and name HB1 )) (( segid A and resid 85 and name HD2 )) ASSI { 675} (( segid B and resid 82 and name HB2 )) (( segid B and resid 85 and name HD2 )) 2.300 0.700 0.700 peak 675 spectrum 1 weight 0.11000E+01 volume 0.94461E-02 ppm1 2.920 ppm2 7.522 CV 1 OR { 675} (( segid A and resid 82 and name HB2 )) (( segid A and resid 85 and name HD2 )) ASSI { 676} (( segid A and resid 85 and name HA )) (( segid A and resid 25 and name HA )) 2.500 0.800 0.800 peak 676 spectrum 1 weight 0.11000E+01 volume 0.57162E-02 ppm1 5.520 ppm2 4.647 CV 1 OR { 676} (( segid B and resid 85 and name HA )) (( segid B and resid 25 and name HA )) ASSI { 677} (( segid B and resid 85 and name HA )) ( segid B and resid 61 and name HE% ) 3.900 1.900 1.900 peak 677 spectrum 1 weight 0.11000E+01 volume 0.45754E-03 ppm1 5.512 ppm2 7.271 CV 1 OR { 677} (( segid A and resid 85 and name HA )) ( segid A and resid 61 and name HE% ) ASSI { 678} (( segid A and resid 85 and name HB1 )) ( segid A and resid 61 and name HD% ) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.11000E+01 volume 0.27403E-02 ppm1 3.491 ppm2 7.704 CV 1 OR { 678} (( segid B and resid 85 and name HB1 )) ( segid B and resid 61 and name HD% ) ASSI { 679} (( segid A and resid 85 and name HB1 )) ( segid A and resid 61 and name HE% ) 2.800 0.900 0.900 peak 679 spectrum 1 weight 0.11000E+01 volume 0.22411E-02 ppm1 3.492 ppm2 7.268 CV 1 OR { 679} (( segid B and resid 85 and name HB1 )) ( segid B and resid 61 and name HE% ) ASSI { 680} (( segid A and resid 85 and name HB1 )) (( segid A and resid 85 and name HA )) 2.200 0.600 0.600 peak 680 spectrum 1 weight 0.11000E+01 volume 0.70332E-02 ppm1 3.492 ppm2 5.494 CV 1 OR { 680} (( segid B and resid 85 and name HB1 )) (( segid B and resid 85 and name HA )) ASSI { 681} (( segid A and resid 85 and name HB1 )) (( segid A and resid 85 and name HD2 )) 3.500 1.500 1.500 peak 681 spectrum 1 weight 0.11000E+01 volume 0.12464E-02 ppm1 3.485 ppm2 7.523 CV 1 OR { 681} (( segid B and resid 85 and name HB1 )) (( segid B and resid 85 and name HD2 )) ASSI { 682} (( segid B and resid 85 and name HB2 )) ( segid B and resid 61 and name HD% ) 3.100 1.200 1.200 peak 682 spectrum 1 weight 0.11000E+01 volume 0.18580E-02 ppm1 3.787 ppm2 7.706 CV 1 OR { 682} (( segid A and resid 85 and name HB2 )) ( segid A and resid 61 and name HD% ) ASSI { 683} (( segid B and resid 85 and name HB2 )) ( segid B and resid 61 and name HE% ) 3.200 1.300 1.300 peak 683 spectrum 1 weight 0.11000E+01 volume 0.24892E-02 ppm1 3.785 ppm2 7.270 CV 1 OR { 683} (( segid A and resid 85 and name HB2 )) ( segid A and resid 61 and name HE% ) ASSI { 684} (( segid B and resid 85 and name HB2 )) (( segid B and resid 85 and name HA )) 2.800 1.000 1.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.39246E-02 ppm1 3.789 ppm2 5.493 CV 1 OR { 684} (( segid A and resid 85 and name HB2 )) (( segid A and resid 85 and name HA )) ASSI { 688} (( segid B and resid 86 and name HB1 )) (( segid B and resid 86 and name HA )) 2.400 0.700 0.700 peak 688 spectrum 1 weight 0.11000E+01 volume 0.95310E-02 ppm1 3.946 ppm2 4.773 CV 1 OR { 688} (( segid A and resid 86 and name HB1 )) (( segid A and resid 86 and name HA )) ASSI { 689} (( segid B and resid 86 and name HB2 )) (( segid B and resid 86 and name HA )) 1.900 0.500 0.500 peak 689 spectrum 1 weight 0.11000E+01 volume 0.21991E-01 ppm1 4.084 ppm2 4.767 CV 1 OR { 689} (( segid A and resid 86 and name HB2 )) (( segid A and resid 86 and name HA )) ASSI { 690} (( segid A and resid 88 and name HA )) ( segid A and resid 88 and name HG2%) 2.200 0.600 0.600 peak 690 spectrum 1 weight 0.11000E+01 volume 0.83417E-02 ppm1 3.701 ppm2 0.208 CV 1 OR { 690} (( segid B and resid 88 and name HA )) ( segid B and resid 88 and name HG2%) ASSI { 691} (( segid A and resid 88 and name HB )) ( segid A and resid 88 and name HG2%) 1.900 0.500 0.500 peak 691 spectrum 1 weight 0.11000E+01 volume 0.20254E-01 ppm1 1.781 ppm2 0.212 CV 1 OR { 691} (( segid B and resid 88 and name HB )) ( segid B and resid 88 and name HG2%) ASSI { 694} ( segid A and resid 88 and name HG1%) ( segid A and resid 21 and name HD% ) 3.000 1.100 1.100 peak 694 spectrum 1 weight 0.11000E+01 volume 0.55424E-02 ppm1 0.133 ppm2 6.726 CV 1 OR { 694} ( segid B and resid 88 and name HG1%) ( segid B and resid 21 and name HD% ) ASSI { 695} ( segid A and resid 88 and name HG1%) (( segid A and resid 85 and name HE1 )) 2.100 0.600 0.600 peak 695 spectrum 1 weight 0.11000E+01 volume 0.22353E-01 ppm1 0.118 ppm2 7.169 CV 1 OR { 695} ( segid B and resid 88 and name HG1%) (( segid B and resid 85 and name HE1 )) ASSI { 696} ( segid B and resid 88 and name HG1%) (( segid B and resid 85 and name HD2 )) 2.300 0.700 0.700 peak 696 spectrum 1 weight 0.11000E+01 volume 0.37701E-02 ppm1 0.131 ppm2 7.523 CV 1 OR { 696} ( segid A and resid 88 and name HG1%) (( segid A and resid 85 and name HD2 )) ASSI { 697} ( segid B and resid 88 and name HG1%) ( segid B and resid 88 and name HG2%) 1.900 0.400 0.400 peak 697 spectrum 1 weight 0.11000E+01 volume 0.30666E-01 ppm1 0.142 ppm2 0.212 CV 1 OR { 697} ( segid A and resid 88 and name HG1%) ( segid A and resid 88 and name HG2%) ASSI { 698} ( segid B and resid 88 and name HG2%) (( segid B and resid 21 and name HA )) 3.800 1.800 1.800 peak 698 spectrum 1 weight 0.11000E+01 volume 0.11788E-02 ppm1 0.226 ppm2 5.466 CV 1 OR { 698} ( segid A and resid 88 and name HG2%) (( segid A and resid 21 and name HA )) ASSI { 700} ( segid A and resid 88 and name HG2%) (( segid A and resid 85 and name HE1 )) 2.800 1.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.30536E-02 ppm1 0.212 ppm2 7.173 CV 1 OR { 700} ( segid B and resid 88 and name HG2%) (( segid B and resid 85 and name HE1 )) ASSI { 701} (( segid A and resid 90 and name HA )) (( segid A and resid 21 and name HA )) 2.400 0.700 0.700 peak 701 spectrum 1 weight 0.11000E+01 volume 0.49070E-02 ppm1 4.058 ppm2 5.461 CV 1 OR { 701} (( segid B and resid 90 and name HA )) (( segid B and resid 21 and name HA )) ASSI { 702} (( segid B and resid 90 and name HB )) (( segid B and resid 21 and name HA )) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.11000E+01 volume 0.16950E-02 ppm1 1.911 ppm2 5.460 CV 1 OR { 702} (( segid A and resid 90 and name HB )) (( segid A and resid 21 and name HA )) ASSI { 704} ( segid A and resid 90 and name HD1%) ( segid A and resid 88 and name HG2%) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.11000E+01 volume 0.10313E-01 ppm1 0.655 ppm2 0.213 CV 1 OR { 704} ( segid B and resid 90 and name HD1%) ( segid B and resid 88 and name HG2%) ASSI { 706} (( segid B and resid 93 and name HB1 )) (( segid B and resid 93 and name HA )) 2.000 0.500 0.500 peak 706 spectrum 1 weight 0.11000E+01 volume 0.12461E-01 ppm1 2.066 ppm2 5.185 CV 1 OR { 706} (( segid A and resid 93 and name HB1 )) (( segid A and resid 93 and name HA )) ASSI { 707} (( segid B and resid 93 and name HG1 )) (( segid B and resid 93 and name HA )) 2.500 0.800 0.800 peak 707 spectrum 1 weight 0.11000E+01 volume 0.62824E-02 ppm1 2.178 ppm2 5.186 CV 1 OR { 707} (( segid A and resid 93 and name HG1 )) (( segid A and resid 93 and name HA )) ASSI { 708} (( segid A and resid 93 and name HG2 )) (( segid A and resid 93 and name HA )) 2.400 0.700 0.700 peak 708 spectrum 1 weight 0.11000E+01 volume 0.50889E-02 ppm1 2.252 ppm2 5.186 CV 1 OR { 708} (( segid B and resid 93 and name HG2 )) (( segid B and resid 93 and name HA )) ASSI { 710} (( segid B and resid 94 and name HB1 )) (( segid B and resid 94 and name HA )) 2.300 0.700 0.700 peak 710 spectrum 1 weight 0.11000E+01 volume 0.82208E-02 ppm1 2.024 ppm2 4.896 CV 1 OR { 710} (( segid A and resid 94 and name HB1 )) (( segid A and resid 94 and name HA )) ASSI { 711} (( segid B and resid 94 and name HB2 )) (( segid B and resid 94 and name HA )) 2.100 0.500 0.500 peak 711 spectrum 1 weight 0.11000E+01 volume 0.14822E-01 ppm1 2.219 ppm2 4.906 CV 1 OR { 711} (( segid A and resid 94 and name HB2 )) (( segid A and resid 94 and name HA )) ASSI { 712} (( segid A and resid 94 and name HG1 )) (( segid A and resid 94 and name HA )) 2.800 1.000 1.000 peak 712 spectrum 1 weight 0.11000E+01 volume 0.44206E-02 ppm1 2.276 ppm2 4.896 CV 1 OR { 712} (( segid B and resid 94 and name HG1 )) (( segid B and resid 94 and name HA )) OR { 712} (( segid B and resid 94 and name HG2 )) (( segid B and resid 94 and name HA )) OR { 712} (( segid A and resid 94 and name HG2 )) (( segid A and resid 94 and name HA )) ASSI { 714} (( segid A and resid 95 and name HA )) (( segid A and resid 18 and name HN )) 3.300 1.400 1.400 peak 714 spectrum 1 weight 0.11000E+01 volume 0.17056E-02 ppm1 4.939 ppm2 9.007 CV 1 OR { 714} (( segid B and resid 95 and name HA )) (( segid B and resid 18 and name HN )) ASSI { 716} (( segid A and resid 95 and name HB1 )) (( segid A and resid 95 and name HA )) 1.900 0.400 0.400 peak 716 spectrum 1 weight 0.11000E+01 volume 0.19974E-01 ppm1 3.963 ppm2 4.947 CV 1 OR { 716} (( segid B and resid 95 and name HB1 )) (( segid B and resid 95 and name HA )) OR { 716} (( segid A and resid 95 and name HB2 )) (( segid A and resid 95 and name HA )) OR { 716} (( segid B and resid 95 and name HB2 )) (( segid B and resid 95 and name HA )) ASSI { 717} (( segid B and resid 96 and name HB )) (( segid B and resid 96 and name HA )) 1.700 0.400 0.500 peak 717 spectrum 1 weight 0.11000E+01 volume 0.34782E-01 ppm1 1.952 ppm2 4.824 CV 1 OR { 717} (( segid A and resid 96 and name HB )) (( segid A and resid 96 and name HA )) ASSI { 718} (( segid B and resid 96 and name HG11)) (( segid B and resid 96 and name HA )) 2.800 1.000 1.000 peak 718 spectrum 1 weight 0.11000E+01 volume 0.32788E-02 ppm1 0.681 ppm2 4.837 CV 1 OR { 718} (( segid A and resid 96 and name HG11)) (( segid A and resid 96 and name HA )) ASSI { 719} (( segid A and resid 96 and name HG12)) (( segid A and resid 96 and name HA )) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.11000E+01 volume 0.47657E-02 ppm1 1.246 ppm2 4.823 CV 1 OR { 719} (( segid B and resid 96 and name HG12)) (( segid B and resid 96 and name HA )) ASSI { 720} ( segid B and resid 96 and name HD1%) (( segid B and resid 96 and name HA )) 3.000 1.100 1.100 peak 720 spectrum 1 weight 0.11000E+01 volume 0.67772E-02 ppm1 0.921 ppm2 4.823 CV 1 OR { 720} ( segid A and resid 96 and name HD1%) (( segid A and resid 96 and name HA )) ASSI { 721} ( segid A and resid 96 and name HG2%) (( segid A and resid 17 and name HA )) 3.300 1.400 1.400 peak 721 spectrum 1 weight 0.11000E+01 volume 0.17259E-02 ppm1 1.057 ppm2 5.237 CV 1 OR { 721} ( segid B and resid 96 and name HG2%) (( segid B and resid 17 and name HA )) ASSI { 722} ( segid A and resid 96 and name HG2%) (( segid A and resid 96 and name HA )) 1.800 0.400 0.400 peak 722 spectrum 1 weight 0.11000E+01 volume 0.35794E-01 ppm1 1.056 ppm2 4.827 CV 1 OR { 722} ( segid B and resid 96 and name HG2%) (( segid B and resid 96 and name HA )) ASSI { 723} (( segid A and resid 101 and name HA )) ( segid A and resid 101 and name HD% ) 2.800 1.000 1.000 peak 723 spectrum 1 weight 0.11000E+01 volume 0.32968E-02 ppm1 4.640 ppm2 7.247 CV 1 OR { 723} (( segid B and resid 101 and name HA )) ( segid B and resid 101 and name HD% ) ASSI { 724} (( segid A and resid 101 and name HB1 )) ( segid A and resid 101 and name HD% ) 2.500 0.800 0.800 peak 724 spectrum 1 weight 0.11000E+01 volume 0.56670E-02 ppm1 3.094 ppm2 7.246 CV 1 OR { 724} (( segid B and resid 101 and name HB1 )) ( segid B and resid 101 and name HD% ) ASSI { 725} (( segid A and resid 101 and name HB2 )) ( segid A and resid 101 and name HD% ) 2.400 0.700 0.700 peak 725 spectrum 1 weight 0.11000E+01 volume 0.64870E-02 ppm1 3.224 ppm2 7.248 CV 1 OR { 725} (( segid B and resid 101 and name HB2 )) ( segid B and resid 101 and name HD% ) ASSI { 726} (( segid B and resid 101 and name HZ )) ( segid B and resid 101 and name HD% ) 3.800 1.800 1.800 peak 726 spectrum 1 weight 0.11000E+01 volume 0.11038E-02 ppm1 6.620 ppm2 7.244 CV 1 OR { 726} (( segid A and resid 101 and name HZ )) ( segid A and resid 101 and name HD% ) ASSI { 727} (( segid B and resid 101 and name HZ )) ( segid B and resid 101 and name HE% ) 2.100 0.600 0.600 peak 727 spectrum 1 weight 0.11000E+01 volume 0.14251E-01 ppm1 6.616 ppm2 6.849 CV 1 OR { 727} (( segid A and resid 101 and name HZ )) ( segid A and resid 101 and name HE% ) ASSI { 729} ( segid B and resid 101 and name HD% ) ( segid B and resid 101 and name HE% ) 2.000 0.500 0.500 peak 729 spectrum 1 weight 0.11000E+01 volume 0.17281E-01 ppm1 7.267 ppm2 6.850 CV 1 OR { 729} ( segid A and resid 101 and name HD% ) ( segid A and resid 101 and name HE% ) ASSI { 732} (( segid A and resid 104 and name HB1 )) (( segid A and resid 104 and name HA )) 2.800 1.000 1.000 peak 732 spectrum 1 weight 0.11000E+01 volume 0.26420E-02 ppm1 3.116 ppm2 5.492 CV 1 OR { 732} (( segid B and resid 104 and name HB1 )) (( segid B and resid 104 and name HA )) ASSI { 733} (( segid A and resid 104 and name HB2 )) (( segid A and resid 104 and name HA )) 3.300 1.400 1.400 peak 733 spectrum 1 weight 0.11000E+01 volume 0.95226E-03 ppm1 3.357 ppm2 5.489 CV 1 OR { 733} (( segid B and resid 104 and name HB2 )) (( segid B and resid 104 and name HA )) ASSI { 734} (( segid A and resid 104 and name HB2 )) (( segid A and resid 104 and name HE3 )) 3.000 1.100 1.100 peak 734 spectrum 1 weight 0.11000E+01 volume 0.17116E-02 ppm1 3.347 ppm2 7.163 CV 1 OR { 734} (( segid B and resid 104 and name HB2 )) (( segid B and resid 104 and name HE3 )) ASSI { 736} (( segid B and resid 104 and name HE3 )) (( segid B and resid 104 and name HZ3 )) 2.200 0.600 0.600 peak 736 spectrum 1 weight 0.11000E+01 volume 0.12298E-01 ppm1 7.189 ppm2 7.391 CV 1 OR { 736} (( segid A and resid 104 and name HE3 )) (( segid A and resid 104 and name HZ3 )) ASSI { 737} (( segid B and resid 104 and name HH2 )) (( segid B and resid 104 and name HE3 )) 2.800 1.000 1.000 peak 737 spectrum 1 weight 0.11000E+01 volume 0.75765E-02 ppm1 7.678 ppm2 7.161 CV 1 OR { 737} (( segid A and resid 104 and name HH2 )) (( segid A and resid 104 and name HE3 )) ASSI { 738} (( segid B and resid 104 and name HH2 )) (( segid B and resid 104 and name HZ2 )) 3.200 1.200 1.200 peak 738 spectrum 1 weight 0.11000E+01 volume 0.13524E-02 ppm1 7.679 ppm2 6.839 CV 1 OR { 738} (( segid A and resid 104 and name HH2 )) (( segid A and resid 104 and name HZ2 )) ASSI { 743} (( segid B and resid 501 and name H9 )) ( segid B and resid 501 and name HM8%) 2.400 0.700 0.700 peak 743 spectrum 1 weight 0.11000E+01 volume 0.69208E-02 ppm1 7.986 ppm2 1.316 CV 1 OR { 743} (( segid A and resid 501 and name H9 )) ( segid A and resid 501 and name HM8%) ASSI { 744} ( segid A and resid 501 and name HM7%) ( segid A and resid 21 and name HE% ) 3.500 0.800 0.800 peak 744 spectrum 1 weight 0.11000E+01 volume 0.22693E-02 ppm1 1.213 ppm2 6.683 CV 1 OR { 744} ( segid B and resid 501 and name HM7%) ( segid B and resid 21 and name HE% ) ASSI { 745} ( segid B and resid 501 and name HM8%) (( segid B and resid 85 and name HE1 )) 2.600 0.900 0.900 peak 745 spectrum 1 weight 0.11000E+01 volume 0.17584E-02 ppm1 1.330 ppm2 7.171 CV 1 OR { 745} ( segid A and resid 501 and name HM8%) (( segid A and resid 85 and name HE1 )) ASSI { 746} ( segid A and resid 501 and name HM8%) (( segid A and resid 85 and name HD2 )) 2.900 1.100 1.100 peak 746 spectrum 1 weight 0.11000E+01 volume 0.23119E-02 ppm1 1.337 ppm2 7.523 CV 1 OR { 746} ( segid B and resid 501 and name HM8%) (( segid B and resid 85 and name HD2 )) ASSI { 3} (( segid A and resid 79 and name HN )) (( segid A and resid 79 and name HG11)) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 8.568 ppm2 -0.909 CV 1 OR { 3} (( segid B and resid 79 and name HN )) (( segid B and resid 79 and name HG11)) ASSI { 4} (( segid B and resid 41 and name HN )) ( segid B and resid 37 and name HG2%) 3.200 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.58539E-03 ppm1 7.796 ppm2 -0.675 CV 1 OR { 4} (( segid A and resid 41 and name HN )) ( segid A and resid 37 and name HG2%) ASSI { 6} (( segid B and resid 37 and name HN )) ( segid B and resid 37 and name HG2%) 3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 7.894 ppm2 -0.664 CV 1 OR { 6} (( segid A and resid 37 and name HN )) ( segid A and resid 37 and name HG2%) ASSI { 9} (( segid B and resid 79 and name HN )) ( segid B and resid 79 and name HG2%) 3.500 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 8.570 ppm2 0.109 CV 1 OR { 9} (( segid A and resid 79 and name HN )) ( segid A and resid 79 and name HG2%) ASSI { 11} (( segid A and resid 82 and name HN )) ( segid A and resid 88 and name HG1%) 3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.90416E-03 ppm1 7.329 ppm2 0.114 CV 1 OR { 11} (( segid B and resid 82 and name HN )) ( segid B and resid 88 and name HG1%) ASSI { 12} (( segid B and resid 81 and name HN )) ( segid B and resid 79 and name HG2%) 4.200 2.200 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.67814E-03 ppm1 7.028 ppm2 0.114 CV 1 OR { 12} (( segid A and resid 81 and name HN )) ( segid A and resid 79 and name HG2%) ASSI { 14} (( segid A and resid 24 and name HN )) ( segid A and resid 88 and name HG1%) 4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.837 ppm2 0.131 CV 1 OR { 14} (( segid B and resid 24 and name HN )) ( segid B and resid 88 and name HG1%) ASSI { 15} (( segid A and resid 88 and name HN )) ( segid A and resid 88 and name HG1%) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16000E-01 ppm1 7.934 ppm2 0.132 CV 1 OR { 15} (( segid B and resid 88 and name HN )) ( segid B and resid 88 and name HG1%) ASSI { 16} (( segid B and resid 80 and name HE22)) ( segid B and resid 88 and name HG1%) 3.500 1.500 1.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 6.844 ppm2 0.132 CV 1 OR { 16} (( segid A and resid 80 and name HE22)) ( segid A and resid 88 and name HG1%) ASSI { 18} (( segid B and resid 86 and name HN )) ( segid B and resid 88 and name HG1%) 4.300 2.300 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.50573E-03 ppm1 9.309 ppm2 0.136 CV 1 OR { 18} (( segid A and resid 86 and name HN )) ( segid A and resid 88 and name HG1%) ASSI { 19} (( segid A and resid 80 and name HE21)) ( segid A and resid 88 and name HG1%) 3.500 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.92217E-03 ppm1 6.648 ppm2 0.142 CV 1 OR { 19} (( segid B and resid 80 and name HE21)) ( segid B and resid 88 and name HG1%) ASSI { 20} (( segid B and resid 85 and name HN )) ( segid B and resid 88 and name HG1%) 3.800 1.800 1.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.73826E-03 ppm1 8.303 ppm2 0.144 CV 1 OR { 20} (( segid A and resid 85 and name HN )) ( segid A and resid 88 and name HG1%) ASSI { 21} (( segid B and resid 80 and name HN )) ( segid B and resid 79 and name HD1%) 3.800 1.800 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 8.443 ppm2 0.159 CV 1 OR { 21} (( segid A and resid 80 and name HN )) ( segid A and resid 79 and name HD1%) ASSI { 22} (( segid B and resid 79 and name HN )) ( segid B and resid 79 and name HD1%) 4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.99139E-03 ppm1 8.561 ppm2 0.171 CV 1 OR { 22} (( segid A and resid 79 and name HN )) ( segid A and resid 79 and name HD1%) ASSI { 23} (( segid A and resid 37 and name HN )) (( segid A and resid 37 and name HG11)) 3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16337E-02 ppm1 7.895 ppm2 0.203 CV 1 OR { 23} (( segid B and resid 37 and name HN )) (( segid B and resid 37 and name HG11)) ASSI { 25} (( segid A and resid 88 and name HN )) ( segid A and resid 88 and name HG2%) 3.100 1.200 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.56872E-02 ppm1 7.933 ppm2 0.220 CV 1 OR { 25} (( segid B and resid 88 and name HN )) ( segid B and resid 88 and name HG2%) ASSI { 27} (( segid B and resid 80 and name HE21)) ( segid B and resid 88 and name HG2%) 2.900 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28575E-02 ppm1 6.649 ppm2 0.221 CV 1 OR { 27} (( segid A and resid 80 and name HE21)) ( segid A and resid 88 and name HG2%) ASSI { 28} (( segid B and resid 22 and name HN )) ( segid B and resid 88 and name HG2%) 4.200 2.200 1.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.60892E-03 ppm1 8.689 ppm2 0.223 CV 1 OR { 28} (( segid A and resid 22 and name HN )) ( segid A and resid 88 and name HG2%) ASSI { 29} (( segid B and resid 80 and name HE22)) ( segid B and resid 88 and name HG2%) 3.100 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.22857E-02 ppm1 6.844 ppm2 0.225 CV 1 OR { 29} (( segid A and resid 80 and name HE22)) ( segid A and resid 88 and name HG2%) ASSI { 30} (( segid B and resid 38 and name HN )) ( segid B and resid 37 and name HD1%) 3.100 1.200 1.200 peak 30 spectrum 1 weight 0.10000E+01 volume 0.68645E-03 ppm1 8.442 ppm2 0.445 CV 1 OR { 30} (( segid A and resid 38 and name HN )) ( segid A and resid 37 and name HD1%) ASSI { 31} (( segid A and resid 84 and name HE )) ( segid A and resid 37 and name HD1%) 3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.36831E-03 ppm1 9.080 ppm2 0.449 CV 1 OR { 31} (( segid B and resid 84 and name HE )) ( segid B and resid 37 and name HD1%) ASSI { 32} (( segid B and resid 37 and name HN )) ( segid B and resid 37 and name HD1%) 3.400 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19994E-02 ppm1 7.894 ppm2 0.452 CV 1 OR { 32} (( segid A and resid 37 and name HN )) ( segid A and resid 37 and name HD1%) ASSI { 34} (( segid B and resid 54 and name HN )) ( segid B and resid 53 and name HB% ) 3.600 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 7.781 ppm2 0.613 CV 1 OR { 34} (( segid A and resid 54 and name HN )) ( segid A and resid 53 and name HB% ) ASSI { 35} (( segid B and resid 53 and name HN )) ( segid B and resid 53 and name HB% ) 3.300 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 7.974 ppm2 0.613 CV 1 OR { 35} (( segid A and resid 53 and name HN )) ( segid A and resid 53 and name HB% ) ASSI { 36} (( segid A and resid 105 and name HN )) ( segid A and resid 53 and name HB% ) 2.900 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 6.321 ppm2 0.616 CV 1 OR { 36} (( segid B and resid 105 and name HN )) ( segid B and resid 53 and name HB% ) ASSI { 37} (( segid A and resid 80 and name HE22)) ( segid A and resid 90 and name HD1%) 2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.38329E-02 ppm1 6.845 ppm2 0.649 CV 1 OR { 37} (( segid B and resid 80 and name HE22)) ( segid B and resid 90 and name HD1%) ASSI { 39} (( segid B and resid 80 and name HE21)) ( segid B and resid 90 and name HD1%) 2.600 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.43008E-02 ppm1 6.649 ppm2 0.655 CV 1 OR { 39} (( segid A and resid 80 and name HE21)) ( segid A and resid 90 and name HD1%) ASSI { 42} (( segid A and resid 92 and name HN )) ( segid A and resid 90 and name HD1%) 3.000 3.000 3.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.80090E-03 ppm1 7.732 ppm2 0.658 CV 1 OR { 42} (( segid B and resid 92 and name HN )) ( segid B and resid 90 and name HD1%) ASSI { 46} (( segid B and resid 16 and name HN )) (( segid B and resid 96 and name HG11)) 3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 8.093 ppm2 0.676 CV 1 OR { 46} (( segid A and resid 16 and name HN )) (( segid A and resid 96 and name HG11)) ASSI { 48} (( segid B and resid 96 and name HN )) (( segid B and resid 96 and name HG11)) 2.300 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.49722E-02 ppm1 7.866 ppm2 0.679 CV 1 OR { 48} (( segid A and resid 96 and name HN )) (( segid A and resid 96 and name HG11)) ASSI { 49} (( segid A and resid 18 and name HN )) (( segid A and resid 96 and name HG11)) 4.000 2.000 2.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.99707E-03 ppm1 9.024 ppm2 0.680 CV 1 OR { 49} (( segid B and resid 18 and name HN )) (( segid B and resid 96 and name HG11)) ASSI { 50} (( segid B and resid 98 and name HN )) (( segid B and resid 96 and name HG11)) 2.700 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 7.371 ppm2 0.681 CV 1 OR { 50} (( segid A and resid 98 and name HN )) (( segid A and resid 96 and name HG11)) ASSI { 51} (( segid B and resid 34 and name HN )) ( segid B and resid 34 and name HD1%) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11834E-02 ppm1 7.663 ppm2 0.728 CV 1 OR { 51} (( segid A and resid 34 and name HN )) ( segid A and resid 34 and name HD1%) ASSI { 52} (( segid A and resid 72 and name HN )) ( segid A and resid 72 and name HG2%) 2.100 0.500 0.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.77865E-02 ppm1 8.353 ppm2 0.733 CV 1 OR { 52} (( segid B and resid 72 and name HN )) ( segid B and resid 72 and name HG2%) ASSI { 55} (( segid A and resid 73 and name HN )) ( segid A and resid 72 and name HG2%) 3.200 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.36409E-02 ppm1 8.259 ppm2 0.734 CV 1 OR { 55} (( segid B and resid 73 and name HN )) ( segid B and resid 72 and name HG2%) ASSI { 56} (( segid A and resid 67 and name HN )) ( segid A and resid 72 and name HG2%) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.39410E-02 ppm1 8.587 ppm2 0.735 CV 1 OR { 56} (( segid B and resid 67 and name HN )) ( segid B and resid 72 and name HG2%) ASSI { 57} (( segid B and resid 37 and name HN )) ( segid B and resid 34 and name HD1%) 3.900 1.900 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.65941E-03 ppm1 7.893 ppm2 0.739 CV 1 OR { 57} (( segid A and resid 37 and name HN )) ( segid A and resid 34 and name HD1%) ASSI { 58} (( segid B and resid 17 and name HN )) ( segid B and resid 72 and name HG2%) 2.600 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.41010E-02 ppm1 9.114 ppm2 0.741 CV 1 OR { 58} (( segid A and resid 17 and name HN )) ( segid A and resid 72 and name HG2%) ASSI { 59} (( segid B and resid 68 and name HN )) ( segid B and resid 72 and name HG2%) 3.000 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.25240E-02 ppm1 9.456 ppm2 0.741 CV 1 OR { 59} (( segid A and resid 68 and name HN )) ( segid A and resid 72 and name HG2%) ASSI { 60} (( segid B and resid 16 and name HN )) ( segid B and resid 16 and name HD1%) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.41665E-02 ppm1 8.095 ppm2 0.751 CV 1 OR { 60} (( segid A and resid 16 and name HN )) ( segid A and resid 16 and name HD1%) ASSI { 61} (( segid A and resid 15 and name HN )) ( segid A and resid 16 and name HD1%) 3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.92492E-03 ppm1 8.334 ppm2 0.774 CV 1 OR { 61} (( segid B and resid 15 and name HN )) ( segid B and resid 16 and name HD1%) ASSI { 63} (( segid B and resid 16 and name HN )) ( segid B and resid 16 and name HD2%) 2.400 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.43495E-02 ppm1 8.094 ppm2 0.780 CV 1 OR { 63} (( segid A and resid 16 and name HN )) ( segid A and resid 16 and name HD2%) ASSI { 64} (( segid B and resid 98 and name HN )) ( segid B and resid 16 and name HD2%) 2.900 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 7.370 ppm2 0.784 CV 1 OR { 64} (( segid A and resid 98 and name HN )) ( segid A and resid 16 and name HD2%) ASSI { 65} (( segid B and resid 31 and name HN )) ( segid B and resid 31 and name HD1%) 4.400 2.400 1.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.81562E-03 ppm1 8.859 ppm2 0.784 CV 1 OR { 65} (( segid A and resid 31 and name HN )) ( segid A and resid 31 and name HD1%) ASSI { 66} (( segid A and resid 35 and name HN )) ( segid A and resid 31 and name HD1%) 3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.62190E-03 ppm1 8.589 ppm2 0.784 CV 1 OR { 66} (( segid B and resid 35 and name HN )) ( segid B and resid 31 and name HD1%) ASSI { 67} (( segid B and resid 71 and name HN )) ( segid B and resid 72 and name HG1%) 4.300 2.300 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11471E-02 ppm1 7.411 ppm2 0.786 CV 1 OR { 67} (( segid A and resid 71 and name HN )) ( segid A and resid 72 and name HG1%) ASSI { 68} (( segid B and resid 96 and name HN )) ( segid B and resid 16 and name HD2%) 3.800 1.800 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 7.866 ppm2 0.786 CV 1 OR { 68} (( segid A and resid 96 and name HN )) ( segid A and resid 16 and name HD2%) ASSI { 70} (( segid A and resid 72 and name HN )) ( segid A and resid 72 and name HG1%) 3.500 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.36531E-02 ppm1 8.354 ppm2 0.788 CV 1 OR { 70} (( segid B and resid 72 and name HN )) ( segid B and resid 72 and name HG1%) ASSI { 72} (( segid A and resid 17 and name HN )) ( segid A and resid 16 and name HD2%) 4.100 2.100 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.26451E-02 ppm1 9.112 ppm2 0.790 CV 1 OR { 72} (( segid B and resid 17 and name HN )) ( segid B and resid 16 and name HD2%) ASSI { 75} (( segid A and resid 34 and name HN )) ( segid A and resid 31 and name HD1%) 3.600 1.700 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.69932E-03 ppm1 7.667 ppm2 0.790 CV 1 OR { 75} (( segid B and resid 34 and name HN )) ( segid B and resid 31 and name HD1%) ASSI { 76} (( segid A and resid 32 and name HN )) ( segid A and resid 31 and name HD1%) 3.600 1.600 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.204 ppm2 0.792 CV 1 OR { 76} (( segid B and resid 32 and name HN )) ( segid B and resid 31 and name HD1%) ASSI { 77} (( segid A and resid 73 and name HN )) ( segid A and resid 72 and name HG1%) 3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.45437E-02 ppm1 8.259 ppm2 0.795 CV 1 OR { 77} (( segid B and resid 73 and name HN )) ( segid B and resid 72 and name HG1%) ASSI { 79} (( segid B and resid 79 and name HN )) ( segid B and resid 75 and name HG2%) 3.200 3.200 2.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.59385E-03 ppm1 8.569 ppm2 0.837 CV 1 OR { 79} (( segid A and resid 79 and name HN )) ( segid A and resid 75 and name HG2%) ASSI { 82} (( segid B and resid 76 and name HN )) ( segid B and resid 75 and name HG2%) 4.300 2.300 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.10041E-02 ppm1 8.498 ppm2 0.854 CV 1 OR { 82} (( segid A and resid 76 and name HN )) ( segid A and resid 75 and name HG2%) ASSI { 88} (( segid A and resid 67 and name HN )) ( segid A and resid 17 and name HG1%) 3.200 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 8.586 ppm2 0.859 CV 1 OR { 88} (( segid B and resid 67 and name HN )) ( segid B and resid 17 and name HG1%) ASSI { 91} (( segid B and resid 17 and name HN )) ( segid B and resid 17 and name HG1%) 2.600 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.69202E-02 ppm1 9.113 ppm2 0.863 CV 1 OR { 91} (( segid A and resid 17 and name HN )) ( segid A and resid 17 and name HG1%) ASSI { 93} (( segid A and resid 16 and name HN )) ( segid A and resid 17 and name HG1%) 3.800 3.800 2.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 8.094 ppm2 0.865 CV 1 OR { 93} (( segid B and resid 16 and name HN )) ( segid B and resid 17 and name HG1%) ASSI { 94} (( segid B and resid 18 and name HN )) ( segid B and resid 17 and name HG1%) 2.800 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 9.028 ppm2 0.866 CV 1 OR { 94} (( segid A and resid 18 and name HN )) ( segid A and resid 17 and name HG1%) ASSI { 95} (( segid B and resid 94 and name HN )) ( segid B and resid 17 and name HG1%) 3.300 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 8.713 ppm2 0.867 CV 1 OR { 95} (( segid A and resid 94 and name HN )) ( segid A and resid 17 and name HG1%) ASSI { 96} (( segid A and resid 96 and name HN )) ( segid A and resid 17 and name HG1%) 2.800 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 7.866 ppm2 0.869 CV 1 OR { 96} (( segid B and resid 96 and name HN )) ( segid B and resid 17 and name HG1%) ASSI { 101} (( segid B and resid 23 and name HN )) ( segid B and resid 24 and name HD1%) 3.500 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 9.672 ppm2 0.900 CV 1 OR { 101} (( segid A and resid 23 and name HN )) ( segid A and resid 24 and name HD1%) ASSI { 102} (( segid A and resid 73 and name HN )) ( segid A and resid 50 and name HD1%) 2.500 2.500 3.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.25854E-02 ppm1 8.258 ppm2 0.902 CV 1 OR { 102} (( segid B and resid 73 and name HN )) ( segid B and resid 50 and name HD1%) ASSI { 103} (( segid A and resid 61 and name HN )) ( segid A and resid 24 and name HD1%) 3.500 1.500 1.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12555E-02 ppm1 8.743 ppm2 0.904 CV 1 OR { 103} (( segid B and resid 61 and name HN )) ( segid B and resid 24 and name HD1%) ASSI { 104} (( segid B and resid 26 and name HN )) ( segid B and resid 29 and name HD1%) 3.400 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.11207E-02 ppm1 8.401 ppm2 0.906 CV 1 OR { 104} (( segid A and resid 26 and name HN )) ( segid A and resid 29 and name HD1%) ASSI { 106} (( segid A and resid 72 and name HN )) ( segid A and resid 50 and name HD1%) 3.000 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.27207E-02 ppm1 8.355 ppm2 0.910 CV 1 OR { 106} (( segid B and resid 72 and name HN )) ( segid B and resid 50 and name HD1%) ASSI { 107} (( segid A and resid 71 and name HN )) ( segid A and resid 50 and name HD1%) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.17085E-02 ppm1 7.413 ppm2 0.910 CV 1 OR { 107} (( segid B and resid 71 and name HN )) ( segid B and resid 50 and name HD1%) ASSI { 112} (( segid A and resid 68 and name HN )) ( segid A and resid 50 and name HD1%) 3.200 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.18717E-02 ppm1 9.457 ppm2 0.914 CV 1 OR { 112} (( segid B and resid 68 and name HN )) ( segid B and resid 50 and name HD1%) ASSI { 114} (( segid B and resid 51 and name HN )) ( segid B and resid 50 and name HD1%) 3.500 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.23833E-02 ppm1 8.777 ppm2 0.915 CV 1 OR { 114} (( segid A and resid 51 and name HN )) ( segid A and resid 50 and name HD1%) ASSI { 115} (( segid B and resid 50 and name HN )) ( segid B and resid 50 and name HD1%) 3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 8.995 ppm2 0.915 CV 1 OR { 115} (( segid A and resid 50 and name HN )) ( segid A and resid 50 and name HD1%) ASSI { 116} (( segid B and resid 34 and name HN )) ( segid B and resid 29 and name HD1%) 3.600 1.600 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.65941E-03 ppm1 7.664 ppm2 0.915 CV 1 OR { 116} (( segid A and resid 34 and name HN )) ( segid A and resid 29 and name HD1%) ASSI { 117} (( segid A and resid 76 and name HN )) ( segid A and resid 90 and name HG2%) 2.900 2.900 3.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.38796E-02 ppm1 8.498 ppm2 0.916 CV 1 OR { 117} (( segid B and resid 76 and name HN )) ( segid B and resid 90 and name HG2%) ASSI { 118} (( segid A and resid 25 and name HN )) ( segid A and resid 24 and name HD1%) 3.800 1.800 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 8.441 ppm2 0.916 CV 1 OR { 118} (( segid B and resid 25 and name HN )) ( segid B and resid 24 and name HD1%) ASSI { 122} (( segid A and resid 59 and name HN )) ( segid A and resid 60 and name HG1%) 4.200 2.200 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.60395E-03 ppm1 6.501 ppm2 0.917 CV 1 OR { 122} (( segid B and resid 59 and name HN )) ( segid B and resid 60 and name HG1%) ASSI { 123} (( segid B and resid 108 and name HN )) ( segid B and resid 54 and name HD1%) 3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.67652E-03 ppm1 7.764 ppm2 0.920 CV 1 OR { 123} (( segid A and resid 108 and name HN )) ( segid A and resid 54 and name HD1%) ASSI { 125} (( segid B and resid 98 and name HN )) ( segid B and resid 96 and name HD1%) 2.600 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.30667E-02 ppm1 7.370 ppm2 0.925 CV 1 OR { 125} (( segid A and resid 98 and name HN )) ( segid A and resid 96 and name HD1%) ASSI { 126} (( segid B and resid 92 and name HN )) ( segid B and resid 90 and name HG2%) 2.300 0.700 0.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.94102E-02 ppm1 7.734 ppm2 0.926 CV 1 OR { 126} (( segid A and resid 92 and name HN )) ( segid A and resid 90 and name HG2%) ASSI { 127} (( segid A and resid 99 and name HN )) ( segid A and resid 96 and name HD1%) 2.800 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 8.512 ppm2 0.926 CV 1 OR { 127} (( segid B and resid 99 and name HN )) ( segid B and resid 96 and name HD1%) ASSI { 128} (( segid B and resid 93 and name HN )) ( segid B and resid 90 and name HG2%) 3.400 1.400 1.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 8.444 ppm2 0.927 CV 1 OR { 128} (( segid A and resid 93 and name HN )) ( segid A and resid 90 and name HG2%) ASSI { 132} (( segid B and resid 20 and name HN )) ( segid B and resid 90 and name HG2%) 3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 8.767 ppm2 0.930 CV 1 OR { 132} (( segid A and resid 20 and name HN )) ( segid A and resid 90 and name HG2%) ASSI { 134} (( segid A and resid 94 and name HN )) ( segid A and resid 17 and name HG2%) 3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 8.722 ppm2 0.939 CV 1 OR { 134} (( segid B and resid 94 and name HN )) ( segid B and resid 17 and name HG2%) ASSI { 135} (( segid B and resid 96 and name HN )) ( segid B and resid 96 and name HD1%) 3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.46295E-02 ppm1 7.866 ppm2 0.939 CV 1 OR { 135} (( segid A and resid 96 and name HN )) ( segid A and resid 96 and name HD1%) ASSI { 136} (( segid A and resid 16 and name HN )) ( segid A and resid 17 and name HG2%) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.25754E-02 ppm1 8.094 ppm2 0.939 CV 1 OR { 136} (( segid B and resid 16 and name HN )) ( segid B and resid 17 and name HG2%) ASSI { 137} (( segid B and resid 17 and name HN )) ( segid B and resid 17 and name HG2%) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.44132E-02 ppm1 9.112 ppm2 0.940 CV 1 OR { 137} (( segid A and resid 17 and name HN )) ( segid A and resid 17 and name HG2%) ASSI { 141} (( segid A and resid 48 and name HN )) ( segid A and resid 50 and name HD2%) 3.700 1.700 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.96632E-03 ppm1 8.172 ppm2 0.953 CV 1 OR { 141} (( segid B and resid 48 and name HN )) ( segid B and resid 50 and name HD2%) ASSI { 142} (( segid A and resid 65 and name HN )) ( segid A and resid 65 and name HD1%) 5.400 3.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.37382E-03 ppm1 9.588 ppm2 0.954 CV 1 OR { 142} (( segid B and resid 65 and name HN )) ( segid B and resid 65 and name HD1%) ASSI { 143} (( segid A and resid 80 and name HE21)) ( segid A and resid 90 and name HG2%) 4.300 2.300 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.79624E-03 ppm1 6.650 ppm2 0.954 CV 1 OR { 143} (( segid B and resid 80 and name HE21)) ( segid B and resid 90 and name HG2%) ASSI { 146} (( segid A and resid 49 and name HN )) ( segid A and resid 50 and name HD2%) 3.700 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.99612E-03 ppm1 7.554 ppm2 0.959 CV 1 OR { 146} (( segid B and resid 49 and name HN )) ( segid B and resid 50 and name HD2%) ASSI { 147} (( segid A and resid 50 and name HN )) ( segid A and resid 50 and name HD2%) 3.100 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 8.997 ppm2 0.960 CV 1 OR { 147} (( segid B and resid 50 and name HN )) ( segid B and resid 50 and name HD2%) ASSI { 149} (( segid A and resid 21 and name HN )) ( segid A and resid 65 and name HD2%) 4.000 2.000 2.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.83106E-03 ppm1 8.764 ppm2 0.968 CV 1 OR { 149} (( segid B and resid 21 and name HN )) ( segid B and resid 65 and name HD2%) ASSI { 150} (( segid A and resid 19 and name HN )) ( segid A and resid 65 and name HD1%) 4.500 2.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.51957E-03 ppm1 9.416 ppm2 0.972 CV 1 OR { 150} (( segid B and resid 19 and name HN )) ( segid B and resid 65 and name HD1%) ASSI { 151} (( segid B and resid 51 and name HN )) ( segid B and resid 50 and name HD2%) 4.100 2.100 1.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.91296E-03 ppm1 8.777 ppm2 0.974 CV 1 OR { 151} (( segid A and resid 51 and name HN )) ( segid A and resid 50 and name HD2%) ASSI { 153} (( segid B and resid 87 and name HD21)) ( segid B and resid 24 and name HD2%) 3.200 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 6.919 ppm2 0.979 CV 1 OR { 153} (( segid A and resid 87 and name HD21)) ( segid A and resid 24 and name HD2%) ASSI { 154} (( segid A and resid 87 and name HD22)) ( segid A and resid 24 and name HD2%) 3.200 1.300 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.17046E-02 ppm1 7.362 ppm2 0.979 CV 1 OR { 154} (( segid B and resid 87 and name HD22)) ( segid B and resid 24 and name HD2%) ASSI { 155} (( segid B and resid 22 and name HE )) ( segid B and resid 24 and name HD2%) 3.800 1.800 1.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.68083E-03 ppm1 7.270 ppm2 0.987 CV 1 OR { 155} (( segid A and resid 22 and name HE )) ( segid A and resid 24 and name HD2%) ASSI { 157} (( segid A and resid 24 and name HN )) ( segid A and resid 24 and name HD2%) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10980E-02 ppm1 8.827 ppm2 0.991 CV 1 OR { 157} (( segid B and resid 24 and name HN )) ( segid B and resid 24 and name HD2%) ASSI { 160} (( segid A and resid 9 and name HN )) ( segid A and resid 9 and name HG2%) 1.800 0.400 0.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.50515E-01 ppm1 8.108 ppm2 1.005 CV 1 OR { 160} (( segid B and resid 9 and name HN )) (( segid B and resid 9 and name HG22)) OR { 160} (( segid B and resid 9 and name HN )) (( segid B and resid 9 and name HG23)) ASSI { 161} (( segid A and resid 10 and name HN )) ( segid A and resid 9 and name HG2%) 2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.11926E-01 ppm1 8.314 ppm2 1.008 CV 1 OR { 161} (( segid B and resid 10 and name HN )) (( segid B and resid 9 and name HG22)) OR { 161} (( segid B and resid 10 and name HN )) (( segid B and resid 9 and name HG21)) ASSI { 163} (( segid B and resid 35 and name HN )) ( segid B and resid 35 and name HD2%) 3.200 1.300 1.300 peak 163 spectrum 1 weight 0.10000E+01 volume 0.13486E-02 ppm1 8.590 ppm2 1.022 CV 1 OR { 163} (( segid A and resid 35 and name HN )) ( segid A and resid 35 and name HD2%) ASSI { 164} (( segid B and resid 36 and name HN )) ( segid B and resid 35 and name HD2%) 2.800 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 8.577 ppm2 1.025 CV 1 OR { 164} (( segid A and resid 36 and name HN )) ( segid A and resid 35 and name HD2%) ASSI { 168} (( segid A and resid 32 and name HN )) ( segid A and resid 31 and name HD2%) 3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.76973E-03 ppm1 8.209 ppm2 1.031 CV 1 OR { 168} (( segid B and resid 32 and name HN )) ( segid B and resid 31 and name HD2%) ASSI { 169} (( segid A and resid 97 and name HN )) ( segid A and resid 96 and name HG2%) 4.200 2.200 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 8.586 ppm2 1.036 CV 1 OR { 169} (( segid B and resid 97 and name HN )) ( segid B and resid 96 and name HG2%) ASSI { 170} (( segid B and resid 98 and name HN )) ( segid B and resid 96 and name HG2%) 2.300 2.300 3.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.36469E-02 ppm1 7.370 ppm2 1.038 CV 1 OR { 170} (( segid A and resid 98 and name HN )) ( segid A and resid 96 and name HG2%) ASSI { 172} (( segid A and resid 96 and name HN )) ( segid A and resid 96 and name HG2%) 2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.42880E-02 ppm1 7.865 ppm2 1.040 CV 1 OR { 172} (( segid B and resid 96 and name HN )) ( segid B and resid 96 and name HG2%) ASSI { 173} (( segid A and resid 95 and name HN )) ( segid A and resid 96 and name HG2%) 3.700 1.700 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 8.771 ppm2 1.041 CV 1 OR { 173} (( segid B and resid 95 and name HN )) ( segid B and resid 96 and name HG2%) ASSI { 174} (( segid A and resid 94 and name HN )) ( segid A and resid 96 and name HG2%) 4.000 2.000 2.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.57530E-03 ppm1 8.713 ppm2 1.043 CV 1 OR { 174} (( segid B and resid 94 and name HN )) ( segid B and resid 96 and name HG2%) ASSI { 175} (( segid A and resid 92 and name HN )) (( segid A and resid 90 and name HG11)) 2.900 2.900 3.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.89645E-03 ppm1 7.733 ppm2 1.046 CV 1 OR { 175} (( segid B and resid 92 and name HN )) (( segid B and resid 90 and name HG11)) ASSI { 176} (( segid B and resid 80 and name HE21)) (( segid B and resid 90 and name HG11)) 4.000 2.000 2.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.74335E-03 ppm1 6.649 ppm2 1.046 CV 1 OR { 176} (( segid A and resid 80 and name HE21)) (( segid A and resid 90 and name HG11)) ASSI { 177} (( segid A and resid 90 and name HN )) (( segid A and resid 90 and name HG11)) 2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.36959E-02 ppm1 8.729 ppm2 1.054 CV 1 OR { 177} (( segid B and resid 90 and name HN )) (( segid B and resid 90 and name HG11)) ASSI { 178} (( segid B and resid 79 and name HN )) (( segid B and resid 79 and name HG12)) 3.200 1.300 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 8.562 ppm2 1.106 CV 1 OR { 178} (( segid A and resid 79 and name HN )) (( segid A and resid 79 and name HG12)) ASSI { 179} (( segid A and resid 49 and name HE22)) ( segid A and resid 48 and name HB% ) 3.200 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.57395E-03 ppm1 7.570 ppm2 1.146 CV 1 OR { 179} (( segid B and resid 49 and name HE22)) ( segid B and resid 48 and name HB% ) ASSI { 180} (( segid A and resid 47 and name HN )) ( segid A and resid 48 and name HB% ) 3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.28262E-02 ppm1 7.173 ppm2 1.148 CV 1 OR { 180} (( segid B and resid 47 and name HN )) ( segid B and resid 48 and name HB% ) ASSI { 181} (( segid A and resid 48 and name HN )) ( segid A and resid 48 and name HB% ) 2.200 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11121E-01 ppm1 8.166 ppm2 1.150 CV 1 OR { 181} (( segid B and resid 48 and name HN )) ( segid B and resid 48 and name HB% ) ASSI { 182} (( segid A and resid 49 and name HN )) ( segid A and resid 48 and name HB% ) 2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.46469E-02 ppm1 7.551 ppm2 1.150 CV 1 OR { 182} (( segid B and resid 49 and name HN )) ( segid B and resid 48 and name HB% ) ASSI { 184} (( segid A and resid 52 and name HN )) ( segid A and resid 51 and name HG2%) 4.000 2.000 2.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 9.077 ppm2 1.175 CV 1 OR { 184} (( segid B and resid 52 and name HN )) ( segid B and resid 51 and name HG2%) ASSI { 186} (( segid B and resid 51 and name HN )) ( segid B and resid 51 and name HG2%) 2.900 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.20655E-02 ppm1 8.777 ppm2 1.177 CV 1 OR { 186} (( segid A and resid 51 and name HN )) ( segid A and resid 51 and name HG2%) ASSI { 187} (( segid A and resid 103 and name HN )) ( segid A and resid 51 and name HG2%) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.36005E-02 ppm1 8.079 ppm2 1.178 CV 1 OR { 187} (( segid B and resid 103 and name HN )) ( segid B and resid 51 and name HG2%) ASSI { 188} (( segid A and resid 104 and name HN )) ( segid A and resid 51 and name HG2%) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 8.435 ppm2 1.178 CV 1 OR { 188} (( segid B and resid 104 and name HN )) ( segid B and resid 51 and name HG2%) ASSI { 189} (( segid A and resid 102 and name HN )) ( segid A and resid 51 and name HG2%) 3.900 1.900 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.41587E-03 ppm1 8.524 ppm2 1.184 CV 1 OR { 189} (( segid B and resid 102 and name HN )) ( segid B and resid 51 and name HG2%) ASSI { 193} (( segid A and resid 39 and name HN )) ( segid A and resid 38 and name HG1%) 3.300 1.400 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 8.797 ppm2 1.206 CV 1 OR { 193} (( segid B and resid 39 and name HN )) ( segid B and resid 38 and name HG1%) ASSI { 195} (( segid B and resid 38 and name HN )) ( segid B and resid 38 and name HG1%) 3.000 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.51121E-02 ppm1 8.446 ppm2 1.209 CV 1 OR { 195} (( segid A and resid 38 and name HN )) ( segid A and resid 38 and name HG1%) ASSI { 198} (( segid A and resid 40 and name HN )) ( segid A and resid 40 and name HG2%) 3.300 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 8.085 ppm2 1.260 CV 1 OR { 198} (( segid B and resid 40 and name HN )) ( segid B and resid 40 and name HG2%) ASSI { 199} (( segid B and resid 30 and name HN )) (( segid B and resid 29 and name HG )) 3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.87186E-03 ppm1 9.317 ppm2 1.263 CV 1 OR { 199} (( segid A and resid 30 and name HN )) (( segid A and resid 29 and name HG )) ASSI { 201} (( segid A and resid 29 and name HN )) (( segid A and resid 29 and name HG )) 2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.30978E-02 ppm1 7.131 ppm2 1.268 CV 1 OR { 201} (( segid B and resid 29 and name HN )) (( segid B and resid 29 and name HG )) ASSI { 203} (( segid B and resid 96 and name HN )) (( segid B and resid 96 and name HG12)) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.48365E-02 ppm1 7.866 ppm2 1.269 CV 1 OR { 203} (( segid A and resid 96 and name HN )) (( segid A and resid 96 and name HG12)) ASSI { 204} (( segid B and resid 86 and name HN )) ( segid B and resid 25 and name HB% ) 3.100 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.63626E-03 ppm1 9.309 ppm2 1.272 CV 1 OR { 204} (( segid A and resid 86 and name HN )) ( segid A and resid 25 and name HB% ) ASSI { 206} (( segid A and resid 17 and name HN )) (( segid A and resid 16 and name HB1 )) 2.200 0.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.27676E-02 ppm1 9.112 ppm2 1.274 CV 1 OR { 206} (( segid B and resid 17 and name HN )) (( segid B and resid 16 and name HB1 )) ASSI { 207} (( segid B and resid 85 and name HN )) ( segid B and resid 25 and name HB% ) 2.900 2.900 3.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.98493E-03 ppm1 8.308 ppm2 1.276 CV 1 OR { 207} (( segid A and resid 85 and name HN )) ( segid A and resid 25 and name HB% ) ASSI { 208} (( segid B and resid 13 and name HN )) ( segid B and resid 12 and name HG2%) 4.100 2.100 1.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.78277E-03 ppm1 8.429 ppm2 1.282 CV 1 OR { 208} (( segid A and resid 13 and name HN )) ( segid A and resid 12 and name HG2%) ASSI { 209} (( segid B and resid 26 and name HN )) ( segid B and resid 25 and name HB% ) 2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.67150E-02 ppm1 8.399 ppm2 1.283 CV 1 OR { 209} (( segid A and resid 26 and name HN )) ( segid A and resid 25 and name HB% ) ASSI { 210} (( segid A and resid 12 and name HN )) ( segid A and resid 12 and name HG2%) 2.500 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.71278E-02 ppm1 8.164 ppm2 1.283 CV 1 OR { 210} (( segid B and resid 12 and name HN )) ( segid B and resid 12 and name HG2%) ASSI { 211} (( segid A and resid 15 and name HN )) (( segid A and resid 16 and name HB1 )) 4.300 2.300 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11665E-02 ppm1 8.338 ppm2 1.284 CV 1 OR { 211} (( segid B and resid 15 and name HN )) (( segid B and resid 16 and name HB1 )) ASSI { 212} (( segid B and resid 60 and name HN )) ( segid B and resid 25 and name HB% ) 3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.60910E-03 ppm1 7.763 ppm2 1.284 CV 1 OR { 212} (( segid A and resid 60 and name HN )) ( segid A and resid 25 and name HB% ) ASSI { 213} (( segid B and resid 16 and name HN )) (( segid B and resid 16 and name HB1 )) 2.900 1.100 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.54133E-02 ppm1 8.099 ppm2 1.285 CV 1 OR { 213} (( segid A and resid 16 and name HN )) (( segid A and resid 16 and name HB1 )) ASSI { 214} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HG1 )) 3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.35686E-02 ppm1 7.370 ppm2 1.287 CV 1 OR { 214} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HG1 )) ASSI { 215} (( segid A and resid 11 and name HN )) ( segid A and resid 10 and name HG2%) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.19293E-02 ppm1 8.308 ppm2 1.287 CV 1 OR { 215} (( segid B and resid 11 and name HN )) (( segid B and resid 10 and name HG22)) OR { 215} (( segid B and resid 11 and name HN )) (( segid B and resid 10 and name HG21)) ASSI { 216} (( segid B and resid 25 and name HN )) ( segid B and resid 25 and name HB% ) 2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.79187E-02 ppm1 8.442 ppm2 1.288 CV 1 OR { 216} (( segid A and resid 25 and name HN )) ( segid A and resid 25 and name HB% ) ASSI { 217} (( segid A and resid 67 and name HN )) (( segid A and resid 16 and name HB1 )) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.45280E-03 ppm1 8.576 ppm2 1.289 CV 1 OR { 217} (( segid B and resid 67 and name HN )) (( segid B and resid 16 and name HB1 )) ASSI { 218} (( segid A and resid 10 and name HN )) ( segid A and resid 10 and name HG2%) 2.200 0.600 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15401E-01 ppm1 8.314 ppm2 1.291 CV 1 OR { 218} (( segid B and resid 10 and name HN )) (( segid B and resid 10 and name HG21)) OR { 218} (( segid B and resid 10 and name HN )) (( segid B and resid 10 and name HG23)) ASSI { 223} (( segid A and resid 114 and name HN )) ( segid A and resid 113 and name HB% ) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.47799E-02 ppm1 7.791 ppm2 1.316 CV 1 OR { 223} (( segid B and resid 114 and name HN )) ( segid B and resid 113 and name HB% ) ASSI { 226} (( segid B and resid 113 and name HN )) ( segid B and resid 113 and name HB% ) 2.600 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.49804E-02 ppm1 8.158 ppm2 1.318 CV 1 OR { 226} (( segid A and resid 113 and name HN )) ( segid A and resid 113 and name HB% ) ASSI { 228} (( segid B and resid 85 and name HN )) ( segid B and resid 501 and name HM8%) 3.300 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 8.307 ppm2 1.322 CV 1 OR { 228} (( segid A and resid 85 and name HN )) ( segid A and resid 501 and name HM8%) ASSI { 231} (( segid A and resid 84 and name HE )) ( segid A and resid 501 and name HM8%) 3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.46901E-03 ppm1 9.088 ppm2 1.337 CV 1 OR { 231} (( segid B and resid 84 and name HE )) ( segid B and resid 501 and name HM8%) ASSI { 232} (( segid B and resid 80 and name HE21)) ( segid B and resid 76 and name HE% ) 2.900 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.24554E-02 ppm1 6.649 ppm2 1.359 CV 1 OR { 232} (( segid A and resid 80 and name HE21)) ( segid A and resid 76 and name HE% ) ASSI { 233} (( segid A and resid 80 and name HE22)) ( segid A and resid 76 and name HE% ) 3.300 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 6.844 ppm2 1.362 CV 1 OR { 233} (( segid B and resid 80 and name HE22)) ( segid B and resid 76 and name HE% ) ASSI { 236} (( segid A and resid 122 and name HN )) ( segid A and resid 121 and name HB% ) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.79265E-02 ppm1 8.329 ppm2 1.379 CV 1 OR { 236} (( segid B and resid 122 and name HN )) ( segid B and resid 121 and name HB% ) ASSI { 237} (( segid B and resid 121 and name HN )) ( segid B and resid 121 and name HB% ) 2.100 0.500 0.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.21489E-01 ppm1 8.060 ppm2 1.379 CV 1 OR { 237} (( segid A and resid 121 and name HN )) ( segid A and resid 121 and name HB% ) ASSI { 240} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HG2 )) 2.900 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.49160E-02 ppm1 7.370 ppm2 1.417 CV 1 OR { 240} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HG2 )) ASSI { 241} (( segid A and resid 101 and name HN )) (( segid A and resid 100 and name HB1 )) 3.500 1.500 1.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.10937E-02 ppm1 9.600 ppm2 1.419 CV 1 OR { 241} (( segid B and resid 101 and name HN )) (( segid B and resid 100 and name HB1 )) ASSI { 245} (( segid A and resid 94 and name HN )) ( segid A and resid 92 and name HB% ) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.51650E-03 ppm1 8.710 ppm2 1.424 CV 1 OR { 245} (( segid B and resid 94 and name HN )) ( segid B and resid 92 and name HB% ) ASSI { 246} (( segid B and resid 99 and name HN )) (( segid B and resid 98 and name HG2 )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.64798E-02 ppm1 8.509 ppm2 1.424 CV 1 OR { 246} (( segid A and resid 99 and name HN )) (( segid A and resid 98 and name HG2 )) ASSI { 247} (( segid B and resid 93 and name HN )) ( segid B and resid 92 and name HB% ) 2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14669E-01 ppm1 8.443 ppm2 1.427 CV 1 OR { 247} (( segid A and resid 93 and name HN )) ( segid A and resid 92 and name HB% ) ASSI { 248} (( segid B and resid 92 and name HN )) ( segid B and resid 92 and name HB% ) 2.500 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.65439E-02 ppm1 7.734 ppm2 1.430 CV 1 OR { 248} (( segid A and resid 92 and name HN )) ( segid A and resid 92 and name HB% ) ASSI { 250} (( segid A and resid 102 and name HN )) ( segid A and resid 102 and name HB% ) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.88370E-02 ppm1 8.525 ppm2 1.434 CV 1 OR { 250} (( segid B and resid 102 and name HN )) ( segid B and resid 102 and name HB% ) ASSI { 251} (( segid B and resid 103 and name HN )) ( segid B and resid 102 and name HB% ) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.40066E-02 ppm1 8.079 ppm2 1.434 CV 1 OR { 251} (( segid A and resid 103 and name HN )) ( segid A and resid 102 and name HB% ) ASSI { 252} (( segid A and resid 7 and name HN )) ( segid A and resid 7 and name HB% ) 1.900 0.400 0.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.45270E-01 ppm1 8.125 ppm2 1.436 CV 1 OR { 252} (( segid B and resid 7 and name HN )) (( segid B and resid 7 and name HB2 )) OR { 252} (( segid B and resid 7 and name HN )) (( segid B and resid 7 and name HB3 )) ASSI { 253} (( segid A and resid 8 and name HN )) ( segid A and resid 7 and name HB% ) 2.300 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15351E-01 ppm1 8.267 ppm2 1.436 CV 1 OR { 253} (( segid B and resid 8 and name HN )) (( segid B and resid 7 and name HB3 )) OR { 253} (( segid B and resid 8 and name HN )) (( segid B and resid 7 and name HB2 )) ASSI { 256} (( segid B and resid 29 and name HN )) ( segid B and resid 30 and name HG2%) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11398E-02 ppm1 7.129 ppm2 1.457 CV 1 OR { 256} (( segid A and resid 29 and name HN )) ( segid A and resid 30 and name HG2%) ASSI { 257} (( segid B and resid 32 and name HN )) ( segid B and resid 30 and name HG2%) 2.600 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.19453E-02 ppm1 8.204 ppm2 1.459 CV 1 OR { 257} (( segid A and resid 32 and name HN )) ( segid A and resid 30 and name HG2%) ASSI { 260} (( segid A and resid 90 and name HN )) (( segid A and resid 90 and name HG12)) 2.500 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.41763E-02 ppm1 8.729 ppm2 1.468 CV 1 OR { 260} (( segid B and resid 90 and name HN )) (( segid B and resid 90 and name HG12)) ASSI { 261} (( segid B and resid 80 and name HE21)) (( segid B and resid 90 and name HG12)) 3.900 1.900 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 6.650 ppm2 1.471 CV 1 OR { 261} (( segid A and resid 80 and name HE21)) (( segid A and resid 90 and name HG12)) ASSI { 262} (( segid A and resid 16 and name HN )) ( segid A and resid 97 and name HB% ) 4.100 2.100 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.91242E-03 ppm1 8.089 ppm2 1.474 CV 1 OR { 262} (( segid B and resid 16 and name HN )) ( segid B and resid 97 and name HB% ) ASSI { 263} (( segid B and resid 100 and name HN )) (( segid B and resid 100 and name HG2 )) 3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.62280E-03 ppm1 11.654 ppm2 1.476 CV 1 OR { 263} (( segid A and resid 100 and name HN )) (( segid A and resid 100 and name HG2 )) ASSI { 265} (( segid A and resid 98 and name HN )) ( segid A and resid 97 and name HB% ) 2.300 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14281E-01 ppm1 7.369 ppm2 1.479 CV 1 OR { 265} (( segid B and resid 98 and name HN )) ( segid B and resid 97 and name HB% ) ASSI { 266} (( segid B and resid 78 and name HN )) (( segid B and resid 79 and name HB )) 4.100 2.100 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 7.156 ppm2 1.483 CV 1 OR { 266} (( segid A and resid 78 and name HN )) (( segid A and resid 79 and name HB )) ASSI { 267} (( segid B and resid 80 and name HN )) (( segid B and resid 79 and name HB )) 2.800 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.20921E-02 ppm1 8.444 ppm2 1.485 CV 1 OR { 267} (( segid A and resid 80 and name HN )) (( segid A and resid 79 and name HB )) ASSI { 268} (( segid B and resid 96 and name HN )) ( segid B and resid 97 and name HB% ) 4.200 2.200 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.65086E-03 ppm1 7.865 ppm2 1.488 CV 1 OR { 268} (( segid A and resid 96 and name HN )) ( segid A and resid 97 and name HB% ) ASSI { 270} (( segid B and resid 79 and name HN )) (( segid B and resid 79 and name HB )) 3.100 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.17309E-02 ppm1 8.567 ppm2 1.491 CV 1 OR { 270} (( segid A and resid 79 and name HN )) (( segid A and resid 79 and name HB )) ASSI { 271} (( segid B and resid 77 and name HN )) ( segid B and resid 73 and name HB% ) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 7.878 ppm2 1.492 CV 1 OR { 271} (( segid A and resid 77 and name HN )) ( segid A and resid 73 and name HB% ) ASSI { 273} (( segid B and resid 72 and name HN )) ( segid B and resid 73 and name HB% ) 3.500 1.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.30285E-02 ppm1 8.346 ppm2 1.493 CV 1 OR { 273} (( segid A and resid 72 and name HN )) ( segid A and resid 73 and name HB% ) ASSI { 274} (( segid B and resid 76 and name HN )) ( segid B and resid 73 and name HB% ) 2.900 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.94963E-03 ppm1 8.497 ppm2 1.493 CV 1 OR { 274} (( segid A and resid 76 and name HN )) ( segid A and resid 73 and name HB% ) ASSI { 275} (( segid B and resid 73 and name HN )) ( segid B and resid 73 and name HB% ) 2.000 0.500 0.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.22784E-01 ppm1 8.260 ppm2 1.493 CV 1 OR { 275} (( segid A and resid 73 and name HN )) ( segid A and resid 73 and name HB% ) ASSI { 276} (( segid B and resid 71 and name HN )) ( segid B and resid 73 and name HB% ) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.11435E-02 ppm1 7.415 ppm2 1.497 CV 1 OR { 276} (( segid A and resid 71 and name HN )) ( segid A and resid 73 and name HB% ) ASSI { 278} (( segid B and resid 54 and name HN )) (( segid B and resid 54 and name HB1 )) 3.700 1.700 1.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.58189E-03 ppm1 7.783 ppm2 1.518 CV 1 OR { 278} (( segid A and resid 54 and name HN )) (( segid A and resid 54 and name HB1 )) OR { 278} (( segid B and resid 54 and name HN )) (( segid B and resid 54 and name HB2 )) OR { 278} (( segid A and resid 54 and name HN )) (( segid A and resid 54 and name HB2 )) ASSI { 279} (( segid A and resid 55 and name HN )) (( segid A and resid 54 and name HB2 )) 4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.49647E-03 ppm1 10.049 ppm2 1.523 CV 1 OR { 279} (( segid B and resid 55 and name HN )) (( segid B and resid 54 and name HB2 )) OR { 279} (( segid B and resid 55 and name HN )) (( segid B and resid 54 and name HB1 )) OR { 279} (( segid A and resid 55 and name HN )) (( segid A and resid 54 and name HB1 )) ASSI { 280} (( segid B and resid 29 and name HN )) ( segid B and resid 26 and name HB% ) 2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.42238E-02 ppm1 7.129 ppm2 1.531 CV 1 OR { 280} (( segid A and resid 29 and name HN )) ( segid A and resid 26 and name HB% ) ASSI { 282} (( segid A and resid 28 and name HN )) ( segid A and resid 26 and name HB% ) 2.400 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.77302E-02 ppm1 8.317 ppm2 1.532 CV 1 OR { 282} (( segid B and resid 28 and name HN )) ( segid B and resid 26 and name HB% ) ASSI { 283} (( segid A and resid 85 and name HN )) ( segid A and resid 26 and name HB% ) 3.100 1.200 1.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.22703E-02 ppm1 8.304 ppm2 1.533 CV 1 OR { 283} (( segid B and resid 85 and name HN )) ( segid B and resid 26 and name HB% ) ASSI { 284} (( segid B and resid 26 and name HN )) ( segid B and resid 26 and name HB% ) 2.100 0.600 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.12343E-01 ppm1 8.399 ppm2 1.534 CV 1 OR { 284} (( segid A and resid 26 and name HN )) ( segid A and resid 26 and name HB% ) ASSI { 285} (( segid A and resid 120 and name HN )) (( segid A and resid 118 and name HB2 )) 2.200 2.200 3.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.17174E-01 ppm1 7.720 ppm2 1.543 CV 1 OR { 285} (( segid B and resid 120 and name HN )) (( segid B and resid 118 and name HB2 )) ASSI { 286} (( segid A and resid 15 and name HN )) (( segid A and resid 16 and name HG )) 4.100 2.100 1.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.14081E-02 ppm1 8.341 ppm2 1.549 CV 1 OR { 286} (( segid B and resid 15 and name HN )) (( segid B and resid 16 and name HG )) ASSI { 287} (( segid A and resid 121 and name HN )) (( segid A and resid 118 and name HB2 )) 2.100 2.100 3.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.68053E-02 ppm1 8.059 ppm2 1.550 CV 1 OR { 287} (( segid B and resid 121 and name HN )) (( segid B and resid 118 and name HB2 )) OR { 287} (( segid A and resid 121 and name HN )) (( segid A and resid 118 and name HB1 )) ASSI { 288} (( segid B and resid 16 and name HN )) (( segid B and resid 16 and name HG )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.72941E-02 ppm1 8.093 ppm2 1.551 CV 1 OR { 288} (( segid A and resid 16 and name HN )) (( segid A and resid 16 and name HG )) ASSI { 290} (( segid A and resid 17 and name HN )) (( segid A and resid 16 and name HG )) 4.100 2.100 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 9.107 ppm2 1.557 CV 1 OR { 290} (( segid B and resid 17 and name HN )) (( segid B and resid 16 and name HG )) ASSI { 291} (( segid A and resid 42 and name HN )) ( segid A and resid 43 and name HB% ) 4.600 2.700 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.57958E-03 ppm1 8.743 ppm2 1.564 CV 1 OR { 291} (( segid B and resid 42 and name HN )) ( segid B and resid 43 and name HB% ) ASSI { 293} (( segid B and resid 47 and name HN )) ( segid B and resid 43 and name HB% ) 2.600 2.600 3.400 peak 293 spectrum 1 weight 0.10000E+01 volume 0.20877E-02 ppm1 7.173 ppm2 1.571 CV 1 OR { 293} (( segid A and resid 47 and name HN )) ( segid A and resid 43 and name HB% ) ASSI { 299} (( segid B and resid 119 and name HN )) (( segid B and resid 118 and name HG )) 3.400 1.400 1.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.18817E-02 ppm1 7.861 ppm2 1.591 CV 1 OR { 299} (( segid A and resid 119 and name HN )) (( segid A and resid 118 and name HG )) ASSI { 300} (( segid B and resid 118 and name HN )) (( segid B and resid 118 and name HG )) 2.200 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.86306E-02 ppm1 7.525 ppm2 1.597 CV 1 OR { 300} (( segid A and resid 118 and name HN )) (( segid A and resid 118 and name HG )) ASSI { 301} (( segid B and resid 92 and name HN )) (( segid B and resid 91 and name HB2 )) 2.900 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34386E-02 ppm1 7.733 ppm2 1.599 CV 1 OR { 301} (( segid A and resid 92 and name HN )) (( segid A and resid 91 and name HB2 )) OR { 301} (( segid B and resid 92 and name HN )) (( segid B and resid 91 and name HB1 )) OR { 301} (( segid A and resid 92 and name HN )) (( segid A and resid 91 and name HB1 )) ASSI { 302} (( segid B and resid 117 and name HN )) (( segid B and resid 118 and name HG )) 3.800 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 8.018 ppm2 1.605 CV 1 OR { 302} (( segid A and resid 117 and name HN )) (( segid A and resid 118 and name HG )) ASSI { 306} (( segid A and resid 116 and name HN )) (( segid A and resid 118 and name HG )) 3.400 1.400 1.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 8.054 ppm2 1.615 CV 1 OR { 306} (( segid B and resid 116 and name HN )) (( segid B and resid 118 and name HG )) ASSI { 307} (( segid A and resid 35 and name HN )) (( segid A and resid 35 and name HB1 )) 3.900 1.900 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 8.610 ppm2 1.617 CV 1 OR { 307} (( segid B and resid 35 and name HN )) (( segid B and resid 35 and name HB1 )) ASSI { 310} (( segid A and resid 66 and name HN )) (( segid A and resid 65 and name HB1 )) 5.000 3.100 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.38759E-03 ppm1 8.905 ppm2 1.620 CV 1 OR { 310} (( segid B and resid 66 and name HN )) (( segid B and resid 65 and name HB1 )) ASSI { 311} (( segid A and resid 22 and name HN )) (( segid A and resid 22 and name HB1 )) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 8.696 ppm2 1.622 CV 1 OR { 311} (( segid B and resid 22 and name HN )) (( segid B and resid 22 and name HB1 )) ASSI { 312} (( segid A and resid 36 and name HN )) (( segid A and resid 35 and name HB1 )) 3.600 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.13610E-02 ppm1 8.581 ppm2 1.622 CV 1 OR { 312} (( segid B and resid 36 and name HN )) (( segid B and resid 35 and name HB1 )) ASSI { 313} (( segid A and resid 65 and name HN )) (( segid A and resid 65 and name HB1 )) 4.000 2.000 2.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.40999E-03 ppm1 9.576 ppm2 1.623 CV 1 OR { 313} (( segid B and resid 65 and name HN )) (( segid B and resid 65 and name HB1 )) ASSI { 314} (( segid A and resid 19 and name HN )) (( segid A and resid 65 and name HB1 )) 4.500 2.600 1.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.41272E-03 ppm1 9.414 ppm2 1.625 CV 1 OR { 314} (( segid B and resid 19 and name HN )) (( segid B and resid 65 and name HB1 )) ASSI { 315} (( segid B and resid 46 and name HN )) ( segid B and resid 46 and name HB% ) 2.200 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.13578E-01 ppm1 7.284 ppm2 1.626 CV 1 OR { 315} (( segid A and resid 46 and name HN )) ( segid A and resid 46 and name HB% ) ASSI { 316} (( segid B and resid 47 and name HN )) ( segid B and resid 46 and name HB% ) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14278E-01 ppm1 7.173 ppm2 1.627 CV 1 OR { 316} (( segid A and resid 47 and name HN )) ( segid A and resid 46 and name HB% ) ASSI { 317} (( segid B and resid 29 and name HN )) (( segid B and resid 29 and name HB1 )) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.60347E-02 ppm1 7.129 ppm2 1.630 CV 1 OR { 317} (( segid A and resid 29 and name HN )) (( segid A and resid 29 and name HB1 )) ASSI { 318} (( segid B and resid 45 and name HN )) ( segid B and resid 46 and name HB% ) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 9.086 ppm2 1.631 CV 1 OR { 318} (( segid A and resid 45 and name HN )) ( segid A and resid 46 and name HB% ) ASSI { 319} (( segid A and resid 55 and name HN )) (( segid A and resid 54 and name HG )) 4.000 2.000 2.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 10.053 ppm2 1.631 CV 1 OR { 319} (( segid B and resid 55 and name HN )) (( segid B and resid 54 and name HG )) ASSI { 323} (( segid B and resid 73 and name HN )) ( segid B and resid 70 and name HB% ) 3.400 1.400 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 8.259 ppm2 1.635 CV 1 OR { 323} (( segid A and resid 73 and name HN )) ( segid A and resid 70 and name HB% ) ASSI { 324} (( segid A and resid 71 and name HN )) ( segid A and resid 70 and name HB% ) 2.200 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.10116E-01 ppm1 7.412 ppm2 1.637 CV 1 OR { 324} (( segid B and resid 71 and name HN )) ( segid B and resid 70 and name HB% ) ASSI { 325} (( segid B and resid 51 and name HN )) (( segid B and resid 50 and name HG )) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.79402E-03 ppm1 8.773 ppm2 1.639 CV 1 OR { 325} (( segid A and resid 51 and name HN )) (( segid A and resid 50 and name HG )) ASSI { 326} (( segid A and resid 70 and name HN )) ( segid A and resid 70 and name HB% ) 3.700 1.700 1.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.73043E-03 ppm1 10.296 ppm2 1.640 CV 1 OR { 326} (( segid B and resid 70 and name HN )) ( segid B and resid 70 and name HB% ) ASSI { 327} (( segid B and resid 50 and name HN )) (( segid B and resid 50 and name HG )) 2.900 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.26540E-02 ppm1 8.998 ppm2 1.645 CV 1 OR { 327} (( segid A and resid 50 and name HN )) (( segid A and resid 50 and name HG )) ASSI { 329} (( segid A and resid 33 and name HN )) (( segid A and resid 32 and name HG2 )) 3.400 1.400 1.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.21011E-02 ppm1 7.748 ppm2 1.655 CV 1 OR { 329} (( segid B and resid 33 and name HN )) (( segid B and resid 32 and name HG1 )) OR { 329} (( segid B and resid 33 and name HN )) (( segid B and resid 32 and name HG2 )) OR { 329} (( segid A and resid 33 and name HN )) (( segid A and resid 32 and name HG1 )) ASSI { 331} (( segid A and resid 54 and name HN )) (( segid A and resid 54 and name HG )) 3.500 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.91607E-03 ppm1 7.779 ppm2 1.660 CV 1 OR { 331} (( segid B and resid 54 and name HN )) (( segid B and resid 54 and name HG )) ASSI { 332} (( segid B and resid 108 and name HN )) (( segid B and resid 54 and name HG )) 3.000 3.000 3.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.88161E-03 ppm1 7.766 ppm2 1.663 CV 1 OR { 332} (( segid A and resid 108 and name HN )) (( segid A and resid 54 and name HG )) ASSI { 333} (( segid B and resid 6 and name HN )) (( segid B and resid 5 and name HB2 )) 2.600 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.70632E-02 ppm1 8.158 ppm2 1.664 CV 1 OR { 333} (( segid A and resid 6 and name HN )) (( segid A and resid 5 and name HB1 )) OR { 333} (( segid B and resid 6 and name HN )) (( segid B and resid 5 and name HB1 )) OR { 333} (( segid A and resid 6 and name HN )) (( segid A and resid 5 and name HB2 )) ASSI { 336} (( segid A and resid 36 and name HN )) (( segid A and resid 32 and name HG2 )) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.95514E-03 ppm1 8.582 ppm2 1.670 CV 1 OR { 336} (( segid B and resid 36 and name HN )) (( segid B and resid 32 and name HG1 )) OR { 336} (( segid B and resid 36 and name HN )) (( segid B and resid 32 and name HG2 )) OR { 336} (( segid A and resid 36 and name HN )) (( segid A and resid 32 and name HG1 )) ASSI { 337} (( segid B and resid 125 and name HN )) (( segid B and resid 124 and name HG2 )) 3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.17576E-02 ppm1 7.991 ppm2 1.671 CV 1 OR { 337} (( segid A and resid 125 and name HN )) (( segid A and resid 124 and name HG2 )) ASSI { 338} (( segid A and resid 32 and name HN )) (( segid A and resid 31 and name HG )) 3.300 1.400 1.400 peak 338 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 8.205 ppm2 1.672 CV 1 OR { 338} (( segid B and resid 32 and name HN )) (( segid B and resid 31 and name HG )) ASSI { 339} (( segid A and resid 34 and name HN )) (( segid A and resid 31 and name HG )) 2.600 2.600 3.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.17058E-02 ppm1 7.665 ppm2 1.685 CV 1 OR { 339} (( segid B and resid 34 and name HN )) (( segid B and resid 31 and name HG )) ASSI { 340} (( segid B and resid 124 and name HN )) (( segid B and resid 124 and name HG1 )) 3.400 1.500 1.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14033E-02 ppm1 8.341 ppm2 1.687 CV 1 OR { 340} (( segid A and resid 124 and name HN )) (( segid A and resid 124 and name HG1 )) OR { 340} (( segid B and resid 124 and name HN )) (( segid B and resid 124 and name HG2 )) OR { 340} (( segid A and resid 124 and name HN )) (( segid A and resid 124 and name HG2 )) ASSI { 341} (( segid A and resid 120 and name HN )) (( segid A and resid 120 and name HG )) 3.900 1.900 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.83805E-03 ppm1 7.724 ppm2 1.689 CV 1 OR { 341} (( segid B and resid 120 and name HN )) (( segid B and resid 120 and name HG )) ASSI { 344} (( segid B and resid 101 and name HN )) (( segid B and resid 100 and name HB2 )) 3.600 1.700 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.72630E-03 ppm1 9.592 ppm2 1.703 CV 1 OR { 344} (( segid A and resid 101 and name HN )) (( segid A and resid 100 and name HB2 )) ASSI { 346} (( segid B and resid 87 and name HD21)) (( segid B and resid 24 and name HB1 )) 3.600 1.700 1.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.76058E-03 ppm1 6.915 ppm2 1.705 CV 1 OR { 346} (( segid A and resid 87 and name HD21)) (( segid A and resid 24 and name HB2 )) OR { 346} (( segid B and resid 87 and name HD21)) (( segid B and resid 24 and name HB2 )) ASSI { 347} (( segid A and resid 22 and name HN )) (( segid A and resid 22 and name HG1 )) 3.300 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 8.695 ppm2 1.706 CV 1 OR { 347} (( segid B and resid 22 and name HN )) (( segid B and resid 22 and name HG2 )) OR { 347} (( segid A and resid 22 and name HN )) (( segid A and resid 22 and name HG2 )) OR { 347} (( segid B and resid 22 and name HN )) (( segid B and resid 22 and name HG1 )) ASSI { 348} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HB1 )) 2.500 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.69956E-02 ppm1 7.370 ppm2 1.707 CV 1 OR { 348} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HB1 )) ASSI { 349} (( segid B and resid 25 and name HN )) (( segid B and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.19186E-02 ppm1 8.442 ppm2 1.707 CV 1 OR { 349} (( segid A and resid 25 and name HN )) (( segid A and resid 24 and name HB1 )) OR { 349} (( segid A and resid 25 and name HN )) (( segid A and resid 24 and name HB2 )) OR { 349} (( segid B and resid 25 and name HN )) (( segid B and resid 24 and name HB1 )) ASSI { 350} (( segid A and resid 87 and name HD22)) (( segid A and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.75992E-03 ppm1 7.371 ppm2 1.707 CV 1 OR { 350} (( segid A and resid 87 and name HD22)) (( segid A and resid 24 and name HB1 )) OR { 350} (( segid B and resid 87 and name HD22)) (( segid B and resid 24 and name HB2 )) ASSI { 351} (( segid A and resid 23 and name HN )) (( segid A and resid 22 and name HG2 )) 3.800 1.800 1.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 9.671 ppm2 1.709 CV 1 OR { 351} (( segid B and resid 23 and name HN )) (( segid B and resid 22 and name HG1 )) OR { 351} (( segid A and resid 23 and name HN )) (( segid A and resid 22 and name HG1 )) OR { 351} (( segid B and resid 23 and name HN )) (( segid B and resid 22 and name HG2 )) ASSI { 353} (( segid A and resid 86 and name HN )) (( segid A and resid 24 and name HB2 )) 3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 9.306 ppm2 1.713 CV 1 OR { 353} (( segid B and resid 86 and name HN )) (( segid B and resid 24 and name HB1 )) OR { 353} (( segid A and resid 86 and name HN )) (( segid A and resid 24 and name HB1 )) OR { 353} (( segid B and resid 86 and name HN )) (( segid B and resid 24 and name HB2 )) ASSI { 354} (( segid B and resid 22 and name HE )) (( segid B and resid 22 and name HG2 )) 3.300 1.300 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 7.269 ppm2 1.715 CV 1 OR { 354} (( segid A and resid 22 and name HE )) (( segid A and resid 22 and name HG1 )) OR { 354} (( segid B and resid 22 and name HE )) (( segid B and resid 22 and name HG1 )) OR { 354} (( segid A and resid 22 and name HE )) (( segid A and resid 22 and name HG2 )) ASSI { 355} (( segid B and resid 24 and name HN )) (( segid B and resid 24 and name HB1 )) 2.600 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.34996E-02 ppm1 8.840 ppm2 1.717 CV 1 OR { 355} (( segid A and resid 24 and name HN )) (( segid A and resid 24 and name HB2 )) OR { 355} (( segid A and resid 24 and name HN )) (( segid A and resid 24 and name HB1 )) OR { 355} (( segid B and resid 24 and name HN )) (( segid B and resid 24 and name HB2 )) ASSI { 359} (( segid A and resid 82 and name HN )) (( segid A and resid 81 and name HG1 )) 3.500 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 7.331 ppm2 1.745 CV 1 OR { 359} (( segid B and resid 82 and name HN )) (( segid B and resid 81 and name HG2 )) OR { 359} (( segid A and resid 82 and name HN )) (( segid A and resid 81 and name HG2 )) OR { 359} (( segid B and resid 82 and name HN )) (( segid B and resid 81 and name HG1 )) ASSI { 360} (( segid B and resid 19 and name HN )) (( segid B and resid 65 and name HB2 )) 4.000 2.000 2.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.55003E-03 ppm1 9.404 ppm2 1.745 CV 1 OR { 360} (( segid A and resid 19 and name HN )) (( segid A and resid 65 and name HB2 )) ASSI { 361} (( segid A and resid 83 and name HN )) (( segid A and resid 88 and name HB )) 3.100 3.100 2.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.21170E-02 ppm1 8.701 ppm2 1.745 CV 1 OR { 361} (( segid B and resid 83 and name HN )) (( segid B and resid 88 and name HB )) ASSI { 362} (( segid B and resid 65 and name HN )) (( segid B and resid 65 and name HB2 )) 4.300 2.300 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.44678E-03 ppm1 9.583 ppm2 1.746 CV 1 OR { 362} (( segid A and resid 65 and name HN )) (( segid A and resid 65 and name HB2 )) ASSI { 363} (( segid A and resid 81 and name HN )) (( segid A and resid 81 and name HG1 )) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.54825E-02 ppm1 7.028 ppm2 1.748 CV 1 OR { 363} (( segid B and resid 81 and name HN )) (( segid B and resid 81 and name HG2 )) OR { 363} (( segid A and resid 81 and name HN )) (( segid A and resid 81 and name HG2 )) OR { 363} (( segid B and resid 81 and name HN )) (( segid B and resid 81 and name HG1 )) ASSI { 365} (( segid A and resid 71 and name HN )) ( segid A and resid 71 and name HB% ) 2.000 0.500 0.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.16337E-01 ppm1 7.412 ppm2 1.756 CV 1 OR { 365} (( segid B and resid 71 and name HN )) ( segid B and resid 71 and name HB% ) ASSI { 369} (( segid B and resid 68 and name HN )) ( segid B and resid 71 and name HB% ) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.30788E-02 ppm1 9.455 ppm2 1.760 CV 1 OR { 369} (( segid A and resid 68 and name HN )) ( segid A and resid 71 and name HB% ) ASSI { 370} (( segid B and resid 24 and name HN )) (( segid B and resid 24 and name HG )) 3.600 1.600 1.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 8.838 ppm2 1.761 CV 1 OR { 370} (( segid A and resid 24 and name HN )) (( segid A and resid 24 and name HG )) ASSI { 372} (( segid B and resid 87 and name HN )) (( segid B and resid 88 and name HB )) 3.600 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.88059E-03 ppm1 8.925 ppm2 1.766 CV 1 OR { 372} (( segid A and resid 87 and name HN )) (( segid A and resid 88 and name HB )) ASSI { 373} (( segid B and resid 88 and name HN )) (( segid B and resid 88 and name HB )) 2.000 0.500 0.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18347E-01 ppm1 7.933 ppm2 1.768 CV 1 OR { 373} (( segid A and resid 88 and name HN )) (( segid A and resid 88 and name HB )) ASSI { 375} (( segid A and resid 80 and name HE21)) (( segid A and resid 88 and name HB )) 3.700 1.700 1.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.16086E-02 ppm1 6.647 ppm2 1.768 CV 1 OR { 375} (( segid B and resid 80 and name HE21)) (( segid B and resid 88 and name HB )) ASSI { 377} (( segid B and resid 89 and name HN )) (( segid B and resid 88 and name HB )) 4.100 2.100 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.91852E-03 ppm1 9.604 ppm2 1.771 CV 1 OR { 377} (( segid A and resid 89 and name HN )) (( segid A and resid 88 and name HB )) ASSI { 378} (( segid A and resid 75 and name HN )) ( segid A and resid 71 and name HB% ) 3.100 3.100 2.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 7.656 ppm2 1.776 CV 1 OR { 378} (( segid B and resid 75 and name HN )) ( segid B and resid 71 and name HB% ) ASSI { 379} (( segid A and resid 80 and name HE22)) (( segid A and resid 88 and name HB )) 3.700 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.16323E-02 ppm1 6.844 ppm2 1.777 CV 1 OR { 379} (( segid B and resid 80 and name HE22)) (( segid B and resid 88 and name HB )) ASSI { 381} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HB2 )) 2.300 0.700 0.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.60132E-02 ppm1 7.370 ppm2 1.790 CV 1 OR { 381} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HB2 )) ASSI { 382} (( segid A and resid 99 and name HN )) (( segid A and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.37935E-02 ppm1 8.510 ppm2 1.790 CV 1 OR { 382} (( segid B and resid 99 and name HN )) (( segid B and resid 98 and name HB2 )) ASSI { 383} (( segid B and resid 66 and name HN )) (( segid B and resid 65 and name HG )) 4.200 2.200 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.47479E-03 ppm1 8.897 ppm2 1.793 CV 1 OR { 383} (( segid A and resid 66 and name HN )) (( segid A and resid 65 and name HG )) ASSI { 385} (( segid A and resid 22 and name HN )) (( segid A and resid 22 and name HB2 )) 3.300 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.78547E-03 ppm1 8.690 ppm2 1.797 CV 1 OR { 385} (( segid B and resid 22 and name HN )) (( segid B and resid 22 and name HB2 )) ASSI { 386} (( segid A and resid 125 and name HN )) (( segid A and resid 124 and name HB1 )) 3.300 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 7.991 ppm2 1.807 CV 1 OR { 386} (( segid B and resid 125 and name HN )) (( segid B and resid 124 and name HB1 )) ASSI { 387} (( segid B and resid 124 and name HN )) (( segid B and resid 124 and name HB1 )) 3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.23945E-02 ppm1 8.342 ppm2 1.809 CV 1 OR { 387} (( segid A and resid 124 and name HN )) (( segid A and resid 124 and name HB1 )) ASSI { 388} (( segid A and resid 23 and name HN )) (( segid A and resid 22 and name HB2 )) 3.700 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 9.672 ppm2 1.818 CV 1 OR { 388} (( segid B and resid 23 and name HN )) (( segid B and resid 22 and name HB2 )) ASSI { 389} (( segid A and resid 15 and name HN )) (( segid A and resid 16 and name HB2 )) 4.200 2.200 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.79115E-03 ppm1 8.336 ppm2 1.818 CV 1 OR { 389} (( segid B and resid 15 and name HN )) (( segid B and resid 16 and name HB2 )) ASSI { 390} (( segid A and resid 38 and name HN )) (( segid A and resid 37 and name HB )) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.23422E-02 ppm1 8.444 ppm2 1.825 CV 1 OR { 390} (( segid B and resid 38 and name HN )) (( segid B and resid 37 and name HB )) ASSI { 391} (( segid B and resid 16 and name HN )) (( segid B and resid 16 and name HB2 )) 2.100 0.500 0.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.84619E-02 ppm1 8.092 ppm2 1.825 CV 1 OR { 391} (( segid A and resid 16 and name HN )) (( segid A and resid 16 and name HB2 )) ASSI { 392} (( segid B and resid 37 and name HN )) (( segid B and resid 37 and name HB )) 2.600 0.800 0.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.40871E-02 ppm1 7.896 ppm2 1.828 CV 1 OR { 392} (( segid A and resid 37 and name HN )) (( segid A and resid 37 and name HB )) ASSI { 393} (( segid A and resid 17 and name HN )) (( segid A and resid 16 and name HB2 )) 3.500 1.500 1.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.18254E-02 ppm1 9.111 ppm2 1.829 CV 1 OR { 393} (( segid B and resid 17 and name HN )) (( segid B and resid 16 and name HB2 )) ASSI { 394} (( segid A and resid 96 and name HN )) (( segid A and resid 16 and name HB2 )) 3.100 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.11191E-02 ppm1 7.865 ppm2 1.829 CV 1 OR { 394} (( segid B and resid 96 and name HN )) (( segid B and resid 16 and name HB2 )) ASSI { 395} (( segid B and resid 22 and name HE )) (( segid B and resid 22 and name HB2 )) 3.700 1.700 1.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.59335E-03 ppm1 7.269 ppm2 1.829 CV 1 OR { 395} (( segid A and resid 22 and name HE )) (( segid A and resid 22 and name HB2 )) ASSI { 396} (( segid A and resid 67 and name HN )) (( segid A and resid 16 and name HB2 )) 5.000 3.200 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.44552E-03 ppm1 8.584 ppm2 1.829 CV 1 OR { 396} (( segid B and resid 67 and name HN )) (( segid B and resid 16 and name HB2 )) ASSI { 398} (( segid A and resid 71 and name HN )) (( segid A and resid 72 and name HB )) 3.500 1.600 1.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.24608E-02 ppm1 7.414 ppm2 1.832 CV 1 OR { 398} (( segid B and resid 71 and name HN )) (( segid B and resid 72 and name HB )) ASSI { 401} (( segid A and resid 73 and name HN )) (( segid A and resid 72 and name HB )) 2.300 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.80545E-02 ppm1 8.259 ppm2 1.843 CV 1 OR { 401} (( segid B and resid 73 and name HN )) (( segid B and resid 72 and name HB )) ASSI { 402} (( segid A and resid 34 and name HN )) (( segid A and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 7.658 ppm2 1.851 CV 1 OR { 402} (( segid B and resid 34 and name HN )) (( segid B and resid 34 and name HB2 )) ASSI { 408} (( segid A and resid 35 and name HN )) (( segid A and resid 35 and name HG )) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.18422E-02 ppm1 8.603 ppm2 1.892 CV 1 OR { 408} (( segid B and resid 35 and name HN )) (( segid B and resid 35 and name HG )) ASSI { 410} (( segid A and resid 117 and name HN )) (( segid A and resid 116 and name HB2 )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20061E-02 ppm1 8.019 ppm2 1.897 CV 1 OR { 410} (( segid B and resid 117 and name HN )) (( segid B and resid 116 and name HB2 )) OR { 410} (( segid B and resid 117 and name HN )) (( segid B and resid 116 and name HB1 )) OR { 410} (( segid A and resid 117 and name HN )) (( segid A and resid 116 and name HB1 )) ASSI { 412} (( segid B and resid 22 and name HN )) (( segid B and resid 90 and name HB )) 4.100 2.100 1.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.12001E-02 ppm1 8.695 ppm2 1.902 CV 1 OR { 412} (( segid A and resid 22 and name HN )) (( segid A and resid 90 and name HB )) ASSI { 413} (( segid A and resid 116 and name HN )) (( segid A and resid 116 and name HB1 )) 2.500 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.65283E-02 ppm1 8.056 ppm2 1.903 CV 1 OR { 413} (( segid B and resid 116 and name HN )) (( segid B and resid 116 and name HB1 )) OR { 413} (( segid A and resid 116 and name HN )) (( segid A and resid 116 and name HB2 )) OR { 413} (( segid B and resid 116 and name HN )) (( segid B and resid 116 and name HB2 )) ASSI { 414} (( segid A and resid 92 and name HN )) (( segid A and resid 90 and name HB )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.26828E-02 ppm1 7.735 ppm2 1.903 CV 1 OR { 414} (( segid B and resid 92 and name HN )) (( segid B and resid 90 and name HB )) ASSI { 415} (( segid B and resid 20 and name HN )) (( segid B and resid 90 and name HB )) 3.800 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 8.764 ppm2 1.904 CV 1 OR { 415} (( segid A and resid 20 and name HN )) (( segid A and resid 90 and name HB )) ASSI { 416} (( segid B and resid 90 and name HN )) (( segid B and resid 90 and name HB )) 2.300 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.11569E-01 ppm1 8.729 ppm2 1.915 CV 1 OR { 416} (( segid A and resid 90 and name HN )) (( segid A and resid 90 and name HB )) ASSI { 418} (( segid B and resid 48 and name HN )) (( segid B and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.42627E-02 ppm1 8.168 ppm2 1.938 CV 1 OR { 418} (( segid A and resid 48 and name HN )) (( segid A and resid 47 and name HB1 )) OR { 418} (( segid B and resid 48 and name HN )) (( segid B and resid 47 and name HB2 )) OR { 418} (( segid A and resid 48 and name HN )) (( segid A and resid 47 and name HB2 )) ASSI { 419} (( segid B and resid 49 and name HN )) (( segid B and resid 47 and name HB1 )) 3.200 1.300 1.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.12531E-02 ppm1 7.551 ppm2 1.938 CV 1 OR { 419} (( segid A and resid 49 and name HN )) (( segid A and resid 47 and name HB1 )) ASSI { 420} (( segid B and resid 46 and name HN )) (( segid B and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 7.282 ppm2 1.939 CV 1 OR { 420} (( segid A and resid 46 and name HN )) (( segid A and resid 47 and name HB2 )) OR { 420} (( segid B and resid 46 and name HN )) (( segid B and resid 47 and name HB1 )) OR { 420} (( segid A and resid 46 and name HN )) (( segid A and resid 47 and name HB1 )) ASSI { 423} (( segid A and resid 89 and name HN )) (( segid A and resid 89 and name HB1 )) 3.100 1.200 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.23829E-02 ppm1 9.601 ppm2 1.942 CV 1 OR { 423} (( segid B and resid 89 and name HN )) (( segid B and resid 89 and name HB1 )) ASSI { 424} (( segid A and resid 47 and name HN )) (( segid A and resid 47 and name HB2 )) 2.000 0.500 0.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.16966E-01 ppm1 7.173 ppm2 1.944 CV 1 OR { 424} (( segid B and resid 47 and name HN )) (( segid B and resid 47 and name HB2 )) OR { 424} (( segid A and resid 47 and name HN )) (( segid A and resid 47 and name HB1 )) OR { 424} (( segid B and resid 47 and name HN )) (( segid B and resid 47 and name HB1 )) ASSI { 425} (( segid A and resid 32 and name HN )) (( segid A and resid 32 and name HB1 )) 2.300 0.700 0.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10381E-01 ppm1 8.204 ppm2 1.945 CV 1 OR { 425} (( segid B and resid 32 and name HN )) (( segid B and resid 32 and name HB1 )) OR { 425} (( segid A and resid 32 and name HN )) (( segid A and resid 32 and name HB2 )) OR { 425} (( segid B and resid 32 and name HN )) (( segid B and resid 32 and name HB2 )) ASSI { 426} (( segid B and resid 28 and name HN )) (( segid B and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 8.317 ppm2 1.945 CV 1 OR { 426} (( segid A and resid 28 and name HN )) (( segid A and resid 29 and name HB2 )) ASSI { 427} (( segid A and resid 33 and name HN )) (( segid A and resid 32 and name HB2 )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.58663E-02 ppm1 7.753 ppm2 1.945 CV 1 OR { 427} (( segid B and resid 33 and name HN )) (( segid B and resid 32 and name HB2 )) OR { 427} (( segid B and resid 33 and name HN )) (( segid B and resid 32 and name HB1 )) OR { 427} (( segid A and resid 33 and name HN )) (( segid A and resid 32 and name HB1 )) ASSI { 428} (( segid B and resid 99 and name HN )) (( segid B and resid 99 and name HB2 )) 3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.63865E-03 ppm1 8.512 ppm2 1.946 CV 1 OR { 428} (( segid A and resid 99 and name HN )) (( segid A and resid 99 and name HB2 )) OR { 428} (( segid A and resid 99 and name HN )) (( segid A and resid 99 and name HB1 )) OR { 428} (( segid B and resid 99 and name HN )) (( segid B and resid 99 and name HB1 )) ASSI { 429} (( segid B and resid 29 and name HN )) (( segid B and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.87275E-02 ppm1 7.129 ppm2 1.948 CV 1 OR { 429} (( segid A and resid 29 and name HN )) (( segid A and resid 29 and name HB2 )) ASSI { 430} (( segid B and resid 98 and name HN )) (( segid B and resid 96 and name HB )) 2.200 0.600 0.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.94772E-02 ppm1 7.370 ppm2 1.949 CV 1 OR { 430} (( segid A and resid 98 and name HN )) (( segid A and resid 96 and name HB )) ASSI { 431} (( segid B and resid 97 and name HN )) (( segid B and resid 96 and name HB )) 2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.18466E-02 ppm1 8.589 ppm2 1.950 CV 1 OR { 431} (( segid A and resid 97 and name HN )) (( segid A and resid 96 and name HB )) ASSI { 433} (( segid B and resid 22 and name HE )) (( segid B and resid 89 and name HB1 )) 4.200 2.200 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.51272E-03 ppm1 7.269 ppm2 1.952 CV 1 OR { 433} (( segid A and resid 22 and name HE )) (( segid A and resid 89 and name HB1 )) ASSI { 434} (( segid A and resid 124 and name HN )) (( segid A and resid 124 and name HB2 )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.13584E-02 ppm1 8.344 ppm2 1.955 CV 1 OR { 434} (( segid B and resid 124 and name HN )) (( segid B and resid 124 and name HB2 )) ASSI { 435} (( segid B and resid 125 and name HN )) (( segid B and resid 125 and name HB1 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.11546E-01 ppm1 7.992 ppm2 1.961 CV 1 OR { 435} (( segid A and resid 125 and name HN )) (( segid A and resid 125 and name HB1 )) ASSI { 436} (( segid A and resid 79 and name HN )) (( segid A and resid 81 and name HB2 )) 4.100 2.100 1.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.51579E-03 ppm1 8.573 ppm2 1.970 CV 1 OR { 436} (( segid B and resid 79 and name HN )) (( segid B and resid 81 and name HB2 )) ASSI { 437} (( segid A and resid 35 and name HN )) (( segid A and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12752E-02 ppm1 8.595 ppm2 1.974 CV 1 OR { 437} (( segid B and resid 35 and name HN )) (( segid B and resid 35 and name HB2 )) ASSI { 440} (( segid A and resid 122 and name HN )) (( segid A and resid 122 and name HB1 )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.95765E-02 ppm1 8.329 ppm2 1.978 CV 1 OR { 440} (( segid B and resid 122 and name HN )) (( segid B and resid 122 and name HB1 )) ASSI { 441} (( segid B and resid 36 and name HN )) (( segid B and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 8.579 ppm2 1.978 CV 1 OR { 441} (( segid A and resid 36 and name HN )) (( segid A and resid 35 and name HB2 )) ASSI { 445} (( segid B and resid 6 and name HN )) (( segid B and resid 6 and name HB1 )) 2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.16881E-01 ppm1 8.162 ppm2 1.985 CV 1 OR { 445} (( segid A and resid 6 and name HN )) (( segid A and resid 6 and name HB1 )) ASSI { 446} (( segid A and resid 7 and name HN )) (( segid A and resid 6 and name HB1 )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.44283E-02 ppm1 8.125 ppm2 1.986 CV 1 OR { 446} (( segid B and resid 7 and name HN )) (( segid B and resid 6 and name HB1 )) ASSI { 448} (( segid A and resid 16 and name HN )) (( segid A and resid 69 and name HG1 )) 3.600 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.13548E-02 ppm1 8.092 ppm2 1.988 CV 1 OR { 448} (( segid B and resid 16 and name HN )) (( segid B and resid 69 and name HG1 )) OR { 448} (( segid A and resid 16 and name HN )) (( segid A and resid 69 and name HG2 )) OR { 448} (( segid B and resid 16 and name HN )) (( segid B and resid 69 and name HG2 )) ASSI { 450} (( segid B and resid 37 and name HN )) (( segid B and resid 37 and name HG12)) 2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.29767E-02 ppm1 7.895 ppm2 1.995 CV 1 OR { 450} (( segid A and resid 37 and name HN )) (( segid A and resid 37 and name HG12)) ASSI { 453} (( segid B and resid 67 and name HN )) (( segid B and resid 66 and name HB1 )) 3.500 1.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.11579E-02 ppm1 8.592 ppm2 2.015 CV 1 OR { 453} (( segid A and resid 67 and name HN )) (( segid A and resid 66 and name HB1 )) ASSI { 454} (( segid A and resid 95 and name HN )) (( segid A and resid 94 and name HB1 )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.43342E-02 ppm1 8.771 ppm2 2.019 CV 1 OR { 454} (( segid B and resid 95 and name HN )) (( segid B and resid 94 and name HB1 )) ASSI { 456} (( segid A and resid 94 and name HN )) (( segid A and resid 94 and name HB1 )) 2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34219E-02 ppm1 8.716 ppm2 2.023 CV 1 OR { 456} (( segid B and resid 94 and name HN )) (( segid B and resid 94 and name HB1 )) ASSI { 457} (( segid A and resid 64 and name HE1 )) (( segid A and resid 66 and name HB1 )) 4.000 2.000 2.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.57770E-03 ppm1 10.672 ppm2 2.024 CV 1 OR { 457} (( segid B and resid 64 and name HE1 )) (( segid B and resid 66 and name HB1 )) ASSI { 459} (( segid B and resid 51 and name HN )) (( segid B and resid 66 and name HB1 )) 4.200 2.200 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.53780E-03 ppm1 8.773 ppm2 2.028 CV 1 OR { 459} (( segid A and resid 51 and name HN )) (( segid A and resid 66 and name HB1 )) ASSI { 462} (( segid A and resid 93 and name HN )) (( segid A and resid 93 and name HB1 )) 2.900 1.100 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.68346E-02 ppm1 8.443 ppm2 2.042 CV 1 OR { 462} (( segid B and resid 93 and name HN )) (( segid B and resid 93 and name HB1 )) ASSI { 463} (( segid A and resid 113 and name HN )) (( segid A and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.17998E-02 ppm1 8.157 ppm2 2.047 CV 1 OR { 463} (( segid B and resid 113 and name HN )) (( segid B and resid 112 and name HB2 )) OR { 463} (( segid A and resid 113 and name HN )) (( segid A and resid 112 and name HB1 )) OR { 463} (( segid B and resid 113 and name HN )) (( segid B and resid 112 and name HB1 )) ASSI { 464} (( segid A and resid 75 and name HN )) (( segid A and resid 74 and name HG1 )) 3.800 1.800 1.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.13712E-02 ppm1 7.665 ppm2 2.049 CV 1 OR { 464} (( segid B and resid 75 and name HN )) (( segid B and resid 74 and name HG1 )) ASSI { 465} (( segid B and resid 112 and name HN )) (( segid B and resid 112 and name HB1 )) 3.400 1.500 1.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 8.866 ppm2 2.050 CV 1 OR { 465} (( segid A and resid 112 and name HN )) (( segid A and resid 112 and name HB1 )) OR { 465} (( segid A and resid 112 and name HN )) (( segid A and resid 112 and name HB2 )) OR { 465} (( segid B and resid 112 and name HN )) (( segid B and resid 112 and name HB2 )) ASSI { 467} (( segid A and resid 115 and name HN )) (( segid A and resid 112 and name HB2 )) 2.900 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 7.839 ppm2 2.054 CV 1 OR { 467} (( segid B and resid 115 and name HN )) (( segid B and resid 112 and name HB2 )) OR { 467} (( segid A and resid 115 and name HN )) (( segid A and resid 112 and name HB1 )) ASSI { 468} (( segid A and resid 74 and name HN )) (( segid A and resid 74 and name HG1 )) 3.700 1.700 1.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.27249E-02 ppm1 7.743 ppm2 2.056 CV 1 OR { 468} (( segid B and resid 74 and name HN )) (( segid B and resid 74 and name HG1 )) ASSI { 469} (( segid B and resid 81 and name HN )) (( segid B and resid 80 and name HB2 )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.28597E-02 ppm1 7.028 ppm2 2.057 CV 1 OR { 469} (( segid A and resid 81 and name HN )) (( segid A and resid 80 and name HB2 )) ASSI { 470} (( segid B and resid 80 and name HN )) (( segid B and resid 80 and name HB2 )) 2.300 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.64619E-02 ppm1 8.443 ppm2 2.059 CV 1 OR { 470} (( segid A and resid 80 and name HN )) (( segid A and resid 80 and name HB2 )) ASSI { 471} (( segid A and resid 90 and name HN )) (( segid A and resid 89 and name HB2 )) 3.100 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.29039E-02 ppm1 8.728 ppm2 2.059 CV 1 OR { 471} (( segid B and resid 90 and name HN )) (( segid B and resid 89 and name HB2 )) ASSI { 472} (( segid B and resid 88 and name HN )) (( segid B and resid 89 and name HB2 )) 3.900 1.900 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 7.936 ppm2 2.059 CV 1 OR { 472} (( segid A and resid 88 and name HN )) (( segid A and resid 89 and name HB2 )) OR { 472} (( segid B and resid 88 and name HN )) (( segid B and resid 89 and name HG1 )) ASSI { 473} (( segid B and resid 80 and name HE21)) (( segid B and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.49189E-02 ppm1 6.648 ppm2 2.059 CV 1 OR { 473} (( segid A and resid 80 and name HE21)) (( segid A and resid 80 and name HG1 )) ASSI { 475} (( segid B and resid 22 and name HE )) (( segid B and resid 89 and name HB2 )) 4.100 2.100 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.68280E-03 ppm1 7.264 ppm2 2.061 CV 1 OR { 475} (( segid A and resid 22 and name HE )) (( segid A and resid 89 and name HB2 )) OR { 475} (( segid B and resid 22 and name HE )) (( segid B and resid 89 and name HG1 )) ASSI { 476} (( segid A and resid 83 and name HN )) (( segid A and resid 83 and name HB1 )) 3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.36055E-02 ppm1 8.701 ppm2 2.061 CV 1 OR { 476} (( segid B and resid 83 and name HN )) (( segid B and resid 83 and name HB1 )) ASSI { 477} (( segid A and resid 80 and name HE22)) (( segid A and resid 80 and name HG1 )) 3.100 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.58500E-02 ppm1 6.844 ppm2 2.061 CV 1 OR { 477} (( segid B and resid 80 and name HE22)) (( segid B and resid 80 and name HG1 )) ASSI { 478} (( segid A and resid 28 and name HN )) (( segid A and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.10000E+01 volume 0.37888E-02 ppm1 8.317 ppm2 2.062 CV 1 OR { 478} (( segid B and resid 28 and name HN )) (( segid B and resid 27 and name HB1 )) ASSI { 479} (( segid B and resid 89 and name HN )) (( segid B and resid 89 and name HB2 )) 2.700 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.24823E-02 ppm1 9.603 ppm2 2.065 CV 1 OR { 479} (( segid A and resid 89 and name HN )) (( segid A and resid 89 and name HB2 )) ASSI { 480} (( segid A and resid 107 and name HN )) ( segid A and resid 106 and name HE% ) 3.300 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.47007E-03 ppm1 9.091 ppm2 2.065 CV 1 OR { 480} (( segid B and resid 107 and name HN )) ( segid B and resid 106 and name HE% ) ASSI { 481} (( segid A and resid 58 and name HN )) (( segid A and resid 58 and name HB1 )) 3.900 1.900 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.82513E-03 ppm1 9.288 ppm2 2.068 CV 1 OR { 481} (( segid B and resid 58 and name HN )) (( segid B and resid 58 and name HB1 )) ASSI { 482} (( segid B and resid 58 and name HE22)) (( segid B and resid 58 and name HB1 )) 4.200 2.200 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.77751E-03 ppm1 7.534 ppm2 2.068 CV 1 OR { 482} (( segid A and resid 58 and name HE22)) (( segid A and resid 58 and name HB1 )) ASSI { 484} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HB1 )) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.59708E-03 ppm1 6.505 ppm2 2.080 CV 1 OR { 484} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HB1 )) ASSI { 485} (( segid A and resid 58 and name HE21)) (( segid A and resid 58 and name HB1 )) 4.100 2.100 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.65498E-03 ppm1 6.877 ppm2 2.081 CV 1 OR { 485} (( segid B and resid 58 and name HE21)) (( segid B and resid 58 and name HB1 )) ASSI { 486} (( segid B and resid 122 and name HN )) (( segid B and resid 122 and name HB2 )) 2.600 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.49058E-02 ppm1 8.330 ppm2 2.085 CV 1 OR { 486} (( segid A and resid 122 and name HN )) (( segid A and resid 122 and name HB2 )) ASSI { 488} (( segid A and resid 57 and name HN )) (( segid A and resid 58 and name HB1 )) 3.900 1.900 1.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.77853E-03 ppm1 8.557 ppm2 2.098 CV 1 OR { 488} (( segid B and resid 57 and name HN )) (( segid B and resid 58 and name HB1 )) ASSI { 489} (( segid B and resid 75 and name HN )) (( segid B and resid 76 and name HB2 )) 3.300 3.300 2.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.30493E-02 ppm1 7.655 ppm2 2.103 CV 1 OR { 489} (( segid A and resid 75 and name HN )) (( segid A and resid 76 and name HB2 )) ASSI { 490} (( segid B and resid 76 and name HN )) (( segid B and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31927E-02 ppm1 8.498 ppm2 2.105 CV 1 OR { 490} (( segid A and resid 76 and name HN )) (( segid A and resid 76 and name HB2 )) ASSI { 491} (( segid A and resid 84 and name HN )) (( segid A and resid 84 and name HB2 )) 3.600 1.700 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.74066E-03 ppm1 9.606 ppm2 2.105 CV 1 OR { 491} (( segid B and resid 84 and name HN )) (( segid B and resid 84 and name HB2 )) OR { 491} (( segid A and resid 84 and name HN )) (( segid A and resid 84 and name HB1 )) OR { 491} (( segid B and resid 84 and name HN )) (( segid B and resid 84 and name HB1 )) ASSI { 492} (( segid A and resid 74 and name HN )) (( segid A and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.78433E-02 ppm1 7.740 ppm2 2.108 CV 1 OR { 492} (( segid B and resid 74 and name HN )) (( segid B and resid 74 and name HB1 )) ASSI { 493} (( segid A and resid 123 and name HN )) (( segid A and resid 122 and name HB2 )) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 8.305 ppm2 2.109 CV 1 OR { 493} (( segid B and resid 123 and name HN )) (( segid B and resid 122 and name HB2 )) ASSI { 495} (( segid A and resid 77 and name HN )) (( segid A and resid 74 and name HB1 )) 2.600 2.600 3.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20522E-02 ppm1 7.877 ppm2 2.113 CV 1 OR { 495} (( segid B and resid 77 and name HN )) (( segid B and resid 74 and name HB1 )) ASSI { 497} (( segid A and resid 28 and name HN )) (( segid A and resid 27 and name HG1 )) 3.300 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.44935E-02 ppm1 8.317 ppm2 2.117 CV 1 OR { 497} (( segid B and resid 28 and name HN )) (( segid B and resid 27 and name HG1 )) ASSI { 498} (( segid A and resid 6 and name HN )) (( segid A and resid 6 and name HB2 )) 2.400 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.75178E-02 ppm1 8.162 ppm2 2.118 CV 1 OR { 498} (( segid B and resid 6 and name HN )) (( segid B and resid 6 and name HB2 )) ASSI { 499} (( segid A and resid 12 and name HN )) (( segid A and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 8.165 ppm2 2.120 CV 1 OR { 499} (( segid B and resid 12 and name HN )) (( segid B and resid 11 and name HB1 )) ASSI { 500} (( segid B and resid 7 and name HN )) (( segid B and resid 6 and name HB2 )) 2.900 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.62615E-02 ppm1 8.126 ppm2 2.121 CV 1 OR { 500} (( segid A and resid 7 and name HN )) (( segid A and resid 6 and name HB2 )) ASSI { 501} (( segid B and resid 11 and name HN )) (( segid B and resid 11 and name HB1 )) 2.600 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.68813E-02 ppm1 8.310 ppm2 2.121 CV 1 OR { 501} (( segid A and resid 11 and name HN )) (( segid A and resid 11 and name HB1 )) ASSI { 503} (( segid B and resid 39 and name HN )) (( segid B and resid 39 and name HB1 )) 3.500 1.500 1.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 8.797 ppm2 2.147 CV 1 OR { 503} (( segid A and resid 39 and name HN )) (( segid A and resid 39 and name HB1 )) ASSI { 505} (( segid B and resid 29 and name HN )) (( segid B and resid 27 and name HG2 )) 2.400 2.400 3.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.34150E-02 ppm1 7.129 ppm2 2.154 CV 1 OR { 505} (( segid A and resid 29 and name HN )) (( segid A and resid 27 and name HG2 )) ASSI { 506} (( segid A and resid 125 and name HN )) (( segid A and resid 125 and name HB2 )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.29064E-02 ppm1 7.994 ppm2 2.155 CV 1 OR { 506} (( segid B and resid 125 and name HN )) (( segid B and resid 125 and name HB2 )) ASSI { 507} (( segid B and resid 40 and name HN )) (( segid B and resid 39 and name HB1 )) 3.000 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20293E-02 ppm1 8.086 ppm2 2.156 CV 1 OR { 507} (( segid A and resid 40 and name HN )) (( segid A and resid 39 and name HB1 )) ASSI { 509} (( segid A and resid 26 and name HN )) (( segid A and resid 27 and name HG2 )) 4.600 2.700 1.400 peak 509 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 8.396 ppm2 2.161 CV 1 OR { 509} (( segid B and resid 26 and name HN )) (( segid B and resid 27 and name HG2 )) ASSI { 510} (( segid B and resid 93 and name HN )) (( segid B and resid 93 and name HG1 )) 2.900 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20504E-02 ppm1 8.443 ppm2 2.166 CV 1 OR { 510} (( segid A and resid 93 and name HN )) (( segid A and resid 93 and name HG1 )) ASSI { 511} (( segid B and resid 28 and name HN )) (( segid B and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.24133E-02 ppm1 8.317 ppm2 2.176 CV 1 OR { 511} (( segid A and resid 28 and name HN )) (( segid A and resid 27 and name HG2 )) ASSI { 513} (( segid B and resid 18 and name HN )) (( segid B and resid 17 and name HB )) 2.800 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.71128E-02 ppm1 9.028 ppm2 2.184 CV 1 OR { 513} (( segid A and resid 18 and name HN )) (( segid A and resid 17 and name HB )) ASSI { 515} (( segid B and resid 96 and name HN )) (( segid B and resid 17 and name HB )) 4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 7.865 ppm2 2.187 CV 1 OR { 515} (( segid A and resid 96 and name HN )) (( segid A and resid 17 and name HB )) ASSI { 518} (( segid B and resid 42 and name HN )) (( segid B and resid 42 and name HB1 )) 3.100 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 8.748 ppm2 2.189 CV 1 OR { 518} (( segid A and resid 42 and name HN )) (( segid A and resid 42 and name HB1 )) ASSI { 521} (( segid A and resid 43 and name HN )) (( segid A and resid 42 and name HB1 )) 2.900 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16467E-02 ppm1 6.931 ppm2 2.195 CV 1 OR { 521} (( segid B and resid 43 and name HN )) (( segid B and resid 42 and name HB1 )) ASSI { 522} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HB1 )) 4.000 2.000 2.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.76644E-03 ppm1 6.855 ppm2 2.201 CV 1 OR { 522} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HB1 )) ASSI { 523} (( segid A and resid 49 and name HN )) (( segid A and resid 49 and name HB1 )) 3.400 1.400 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.27289E-02 ppm1 7.550 ppm2 2.202 CV 1 OR { 523} (( segid B and resid 49 and name HN )) (( segid B and resid 49 and name HB1 )) ASSI { 524} (( segid A and resid 49 and name HE22)) (( segid A and resid 49 and name HB1 )) 4.200 2.200 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.98236E-03 ppm1 7.567 ppm2 2.204 CV 1 OR { 524} (( segid B and resid 49 and name HE22)) (( segid B and resid 49 and name HB1 )) ASSI { 525} (( segid A and resid 50 and name HN )) (( segid A and resid 49 and name HB1 )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.74861E-03 ppm1 8.998 ppm2 2.207 CV 1 OR { 525} (( segid B and resid 50 and name HN )) (( segid B and resid 49 and name HB1 )) ASSI { 526} (( segid A and resid 94 and name HN )) (( segid A and resid 94 and name HB2 )) 3.000 1.100 1.100 peak 526 spectrum 1 weight 0.10000E+01 volume 0.26814E-02 ppm1 8.722 ppm2 2.208 CV 1 OR { 526} (( segid B and resid 94 and name HN )) (( segid B and resid 94 and name HB2 )) ASSI { 527} (( segid A and resid 95 and name HN )) (( segid A and resid 94 and name HB2 )) 2.600 0.800 0.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.45419E-02 ppm1 8.771 ppm2 2.217 CV 1 OR { 527} (( segid B and resid 95 and name HN )) (( segid B and resid 94 and name HB2 )) ASSI { 528} (( segid B and resid 58 and name HN )) (( segid B and resid 58 and name HB2 )) 3.500 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.79761E-03 ppm1 9.277 ppm2 2.225 CV 1 OR { 528} (( segid A and resid 58 and name HN )) (( segid A and resid 58 and name HB2 )) ASSI { 529} (( segid A and resid 58 and name HE21)) (( segid A and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 6.878 ppm2 2.228 CV 1 OR { 529} (( segid B and resid 58 and name HE21)) (( segid B and resid 58 and name HB2 )) ASSI { 530} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HB2 )) 4.300 2.300 1.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.48371E-03 ppm1 6.506 ppm2 2.231 CV 1 OR { 530} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HB2 )) ASSI { 531} (( segid B and resid 58 and name HE22)) (( segid B and resid 58 and name HB2 )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.93168E-03 ppm1 7.538 ppm2 2.233 CV 1 OR { 531} (( segid A and resid 58 and name HE22)) (( segid A and resid 58 and name HB2 )) ASSI { 533} (( segid B and resid 92 and name HN )) (( segid B and resid 93 and name HG2 )) 4.000 2.000 2.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.90105E-03 ppm1 7.731 ppm2 2.241 CV 1 OR { 533} (( segid A and resid 92 and name HN )) (( segid A and resid 93 and name HG2 )) OR { 533} (( segid B and resid 92 and name HN )) (( segid B and resid 93 and name HB2 )) ASSI { 535} (( segid A and resid 10 and name HN )) (( segid A and resid 9 and name HB )) 2.600 0.800 2.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.56732E-02 ppm1 8.314 ppm2 2.245 CV 1 OR { 535} (( segid B and resid 10 and name HN )) (( segid B and resid 9 and name HB )) ASSI { 536} (( segid A and resid 75 and name HN )) (( segid A and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23194E-02 ppm1 7.655 ppm2 2.247 CV 1 OR { 536} (( segid B and resid 75 and name HN )) (( segid B and resid 74 and name HB2 )) ASSI { 537} (( segid A and resid 74 and name HN )) (( segid A and resid 74 and name HB2 )) 2.100 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.96926E-02 ppm1 7.741 ppm2 2.248 CV 1 OR { 537} (( segid B and resid 74 and name HN )) (( segid B and resid 74 and name HB2 )) ASSI { 538} (( segid B and resid 93 and name HN )) (( segid B and resid 93 and name HG2 )) 3.300 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 8.443 ppm2 2.250 CV 1 OR { 538} (( segid A and resid 93 and name HN )) (( segid A and resid 93 and name HG2 )) ASSI { 540} (( segid A and resid 39 and name HN )) (( segid A and resid 39 and name HB2 )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 8.797 ppm2 2.269 CV 1 OR { 540} (( segid B and resid 39 and name HN )) (( segid B and resid 39 and name HB2 )) ASSI { 541} (( segid A and resid 40 and name HN )) (( segid A and resid 39 and name HB2 )) 3.000 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 8.089 ppm2 2.271 CV 1 OR { 541} (( segid B and resid 40 and name HN )) (( segid B and resid 39 and name HB2 )) ASSI { 542} (( segid B and resid 18 and name HN )) (( segid B and resid 94 and name HG1 )) 3.300 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 9.025 ppm2 2.273 CV 1 OR { 542} (( segid A and resid 18 and name HN )) (( segid A and resid 94 and name HG1 )) OR { 542} (( segid B and resid 18 and name HN )) (( segid B and resid 94 and name HG2 )) OR { 542} (( segid A and resid 18 and name HN )) (( segid A and resid 94 and name HG2 )) ASSI { 543} (( segid A and resid 95 and name HN )) (( segid A and resid 94 and name HG1 )) 3.100 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.27017E-02 ppm1 8.771 ppm2 2.275 CV 1 OR { 543} (( segid B and resid 95 and name HN )) (( segid B and resid 94 and name HG1 )) OR { 543} (( segid B and resid 95 and name HN )) (( segid B and resid 94 and name HG2 )) OR { 543} (( segid A and resid 95 and name HN )) (( segid A and resid 94 and name HG2 )) ASSI { 544} (( segid B and resid 94 and name HN )) (( segid B and resid 94 and name HG2 )) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.40990E-02 ppm1 8.715 ppm2 2.276 CV 1 OR { 544} (( segid A and resid 94 and name HN )) (( segid A and resid 94 and name HG2 )) OR { 544} (( segid A and resid 94 and name HN )) (( segid A and resid 94 and name HG1 )) OR { 544} (( segid B and resid 94 and name HN )) (( segid B and resid 94 and name HG1 )) ASSI { 546} (( segid B and resid 122 and name HN )) (( segid B and resid 122 and name HG1 )) 3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.42097E-02 ppm1 8.330 ppm2 2.285 CV 1 OR { 546} (( segid A and resid 122 and name HN )) (( segid A and resid 122 and name HG1 )) OR { 546} (( segid B and resid 122 and name HN )) (( segid B and resid 122 and name HG2 )) OR { 546} (( segid A and resid 122 and name HN )) (( segid A and resid 122 and name HG2 )) ASSI { 548} (( segid A and resid 7 and name HN )) (( segid A and resid 6 and name HG2 )) 3.200 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.24263E-02 ppm1 8.126 ppm2 2.294 CV 1 OR { 548} (( segid B and resid 7 and name HN )) (( segid B and resid 6 and name HG2 )) ASSI { 554} (( segid B and resid 80 and name HE21)) (( segid B and resid 80 and name HG2 )) 2.400 0.700 0.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.28475E-02 ppm1 6.649 ppm2 2.315 CV 1 OR { 554} (( segid A and resid 80 and name HE21)) (( segid A and resid 80 and name HG2 )) ASSI { 556} (( segid A and resid 80 and name HE22)) (( segid A and resid 80 and name HG2 )) 3.400 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.30152E-02 ppm1 6.843 ppm2 2.320 CV 1 OR { 556} (( segid B and resid 80 and name HE22)) (( segid B and resid 80 and name HG2 )) ASSI { 557} (( segid A and resid 74 and name HN )) (( segid A and resid 74 and name HG2 )) 3.800 1.800 1.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 7.740 ppm2 2.327 CV 1 OR { 557} (( segid B and resid 74 and name HN )) (( segid B and resid 74 and name HG2 )) ASSI { 558} (( segid B and resid 50 and name HN )) (( segid B and resid 49 and name HG2 )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.96513E-03 ppm1 8.996 ppm2 2.328 CV 1 OR { 558} (( segid A and resid 50 and name HN )) (( segid A and resid 49 and name HG1 )) OR { 558} (( segid A and resid 50 and name HN )) (( segid A and resid 49 and name HG2 )) OR { 558} (( segid B and resid 50 and name HN )) (( segid B and resid 49 and name HG1 )) ASSI { 559} (( segid A and resid 112 and name HN )) (( segid A and resid 112 and name HG1 )) 4.300 2.300 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.43261E-03 ppm1 8.869 ppm2 2.331 CV 1 OR { 559} (( segid B and resid 112 and name HN )) (( segid B and resid 112 and name HG1 )) ASSI { 564} (( segid A and resid 49 and name HE22)) (( segid A and resid 49 and name HG1 )) 3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.39380E-02 ppm1 7.567 ppm2 2.343 CV 1 OR { 564} (( segid A and resid 49 and name HE22)) (( segid A and resid 49 and name HG2 )) OR { 564} (( segid B and resid 49 and name HE22)) (( segid B and resid 49 and name HG2 )) OR { 564} (( segid B and resid 49 and name HE22)) (( segid B and resid 49 and name HG1 )) ASSI { 565} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HG2 )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.32468E-02 ppm1 6.852 ppm2 2.345 CV 1 OR { 565} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HG1 )) OR { 565} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HG1 )) OR { 565} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HG2 )) ASSI { 566} (( segid A and resid 48 and name HN )) (( segid A and resid 49 and name HG1 )) 4.000 2.000 2.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.87204E-03 ppm1 8.175 ppm2 2.346 CV 1 OR { 566} (( segid B and resid 48 and name HN )) (( segid B and resid 49 and name HG2 )) OR { 566} (( segid A and resid 48 and name HN )) (( segid A and resid 49 and name HG2 )) OR { 566} (( segid B and resid 48 and name HN )) (( segid B and resid 49 and name HG1 )) ASSI { 568} (( segid A and resid 77 and name HN )) (( segid A and resid 76 and name HG1 )) 4.300 2.400 1.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.72379E-03 ppm1 7.877 ppm2 2.353 CV 1 OR { 568} (( segid B and resid 77 and name HN )) (( segid B and resid 76 and name HG1 )) ASSI { 569} (( segid A and resid 92 and name HN )) (( segid A and resid 20 and name HB1 )) 3.200 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.21023E-02 ppm1 7.734 ppm2 2.355 CV 1 OR { 569} (( segid B and resid 92 and name HN )) (( segid B and resid 20 and name HB1 )) OR { 569} (( segid A and resid 92 and name HN )) (( segid A and resid 20 and name HB2 )) OR { 569} (( segid B and resid 92 and name HN )) (( segid B and resid 20 and name HB2 )) ASSI { 570} (( segid A and resid 43 and name HN )) (( segid A and resid 42 and name HB2 )) 3.700 1.700 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 6.931 ppm2 2.357 CV 1 OR { 570} (( segid B and resid 43 and name HN )) (( segid B and resid 42 and name HB2 )) ASSI { 572} (( segid B and resid 21 and name HN )) (( segid B and resid 20 and name HB1 )) 4.400 2.400 1.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.54590E-03 ppm1 8.766 ppm2 2.359 CV 1 OR { 572} (( segid A and resid 21 and name HN )) (( segid A and resid 20 and name HB1 )) OR { 572} (( segid B and resid 21 and name HN )) (( segid B and resid 20 and name HB2 )) OR { 572} (( segid A and resid 21 and name HN )) (( segid A and resid 20 and name HB2 )) ASSI { 573} (( segid B and resid 42 and name HN )) (( segid B and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11080E-02 ppm1 8.741 ppm2 2.361 CV 1 OR { 573} (( segid A and resid 42 and name HN )) (( segid A and resid 42 and name HB2 )) ASSI { 574} (( segid A and resid 76 and name HN )) (( segid A and resid 76 and name HG1 )) 3.300 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.20595E-02 ppm1 8.498 ppm2 2.371 CV 1 OR { 574} (( segid B and resid 76 and name HN )) (( segid B and resid 76 and name HG1 )) ASSI { 575} (( segid B and resid 40 and name HN )) (( segid B and resid 39 and name HG1 )) 4.000 2.000 2.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.95920E-03 ppm1 8.089 ppm2 2.372 CV 1 OR { 575} (( segid A and resid 40 and name HN )) (( segid A and resid 39 and name HG1 )) ASSI { 576} (( segid B and resid 39 and name HN )) (( segid B and resid 39 and name HG1 )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.26790E-02 ppm1 8.797 ppm2 2.383 CV 1 OR { 576} (( segid A and resid 39 and name HN )) (( segid A and resid 39 and name HG1 )) ASSI { 578} (( segid A and resid 58 and name HE21)) (( segid A and resid 58 and name HG2 )) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.29936E-02 ppm1 6.877 ppm2 2.391 CV 1 OR { 578} (( segid A and resid 58 and name HE21)) (( segid A and resid 58 and name HG1 )) OR { 578} (( segid B and resid 58 and name HE21)) (( segid B and resid 58 and name HG2 )) OR { 578} (( segid B and resid 58 and name HE21)) (( segid B and resid 58 and name HG1 )) ASSI { 579} (( segid B and resid 58 and name HE22)) (( segid B and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.36420E-02 ppm1 7.537 ppm2 2.395 CV 1 OR { 579} (( segid B and resid 58 and name HE22)) (( segid B and resid 58 and name HG1 )) OR { 579} (( segid A and resid 58 and name HE22)) (( segid A and resid 58 and name HG2 )) OR { 579} (( segid A and resid 58 and name HE22)) (( segid A and resid 58 and name HG1 )) ASSI { 580} (( segid A and resid 58 and name HN )) (( segid A and resid 58 and name HG1 )) 3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14046E-02 ppm1 9.288 ppm2 2.401 CV 1 OR { 580} (( segid B and resid 58 and name HN )) (( segid B and resid 58 and name HG1 )) OR { 580} (( segid A and resid 58 and name HN )) (( segid A and resid 58 and name HG2 )) OR { 580} (( segid B and resid 58 and name HN )) (( segid B and resid 58 and name HG2 )) ASSI { 581} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.41117E-03 ppm1 6.501 ppm2 2.407 CV 1 OR { 581} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HG2 )) OR { 581} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HG1 )) OR { 581} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HG1 )) ASSI { 583} (( segid A and resid 28 and name HN )) (( segid A and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.21509E-02 ppm1 8.316 ppm2 2.438 CV 1 OR { 583} (( segid B and resid 28 and name HN )) (( segid B and resid 27 and name HB2 )) ASSI { 584} (( segid B and resid 49 and name HN )) (( segid B and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.24145E-02 ppm1 7.550 ppm2 2.440 CV 1 OR { 584} (( segid A and resid 49 and name HN )) (( segid A and resid 49 and name HB2 )) ASSI { 585} (( segid A and resid 64 and name HE1 )) (( segid A and resid 66 and name HG2 )) 3.600 1.600 1.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.71350E-03 ppm1 10.676 ppm2 2.442 CV 1 OR { 585} (( segid B and resid 64 and name HE1 )) (( segid B and resid 66 and name HG1 )) OR { 585} (( segid B and resid 64 and name HE1 )) (( segid B and resid 66 and name HG2 )) OR { 585} (( segid A and resid 64 and name HE1 )) (( segid A and resid 66 and name HG1 )) ASSI { 586} (( segid A and resid 49 and name HE22)) (( segid A and resid 49 and name HB2 )) 3.800 1.800 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 7.566 ppm2 2.444 CV 1 OR { 586} (( segid B and resid 49 and name HE22)) (( segid B and resid 49 and name HB2 )) ASSI { 587} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HB2 )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.73192E-03 ppm1 6.855 ppm2 2.444 CV 1 OR { 587} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HB2 )) ASSI { 588} (( segid A and resid 51 and name HN )) (( segid A and resid 66 and name HG2 )) 3.400 1.500 1.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.13541E-02 ppm1 8.776 ppm2 2.452 CV 1 OR { 588} (( segid B and resid 51 and name HN )) (( segid B and resid 66 and name HG1 )) OR { 588} (( segid B and resid 51 and name HN )) (( segid B and resid 66 and name HG2 )) OR { 588} (( segid A and resid 51 and name HN )) (( segid A and resid 66 and name HG1 )) ASSI { 589} (( segid A and resid 66 and name HN )) (( segid A and resid 66 and name HG2 )) 3.400 1.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.94832E-03 ppm1 8.910 ppm2 2.452 CV 1 OR { 589} (( segid B and resid 66 and name HN )) (( segid B and resid 66 and name HG1 )) OR { 589} (( segid B and resid 66 and name HN )) (( segid B and resid 66 and name HG2 )) OR { 589} (( segid A and resid 66 and name HN )) (( segid A and resid 66 and name HG1 )) ASSI { 590} (( segid B and resid 67 and name HN )) (( segid B and resid 66 and name HB2 )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 8.586 ppm2 2.453 CV 1 OR { 590} (( segid A and resid 67 and name HN )) (( segid A and resid 66 and name HB2 )) ASSI { 591} (( segid B and resid 50 and name HN )) (( segid B and resid 49 and name HB2 )) 3.700 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.75095E-03 ppm1 8.995 ppm2 2.453 CV 1 OR { 591} (( segid A and resid 50 and name HN )) (( segid A and resid 49 and name HB2 )) ASSI { 592} (( segid A and resid 90 and name HN )) (( segid A and resid 21 and name HB1 )) 3.900 1.900 1.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.60222E-03 ppm1 8.727 ppm2 2.453 CV 1 OR { 592} (( segid B and resid 90 and name HN )) (( segid B and resid 21 and name HB1 )) ASSI { 593} (( segid A and resid 33 and name HN )) (( segid A and resid 33 and name HB1 )) 2.900 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.34776E-02 ppm1 7.753 ppm2 2.459 CV 1 OR { 593} (( segid B and resid 33 and name HN )) (( segid B and resid 33 and name HB1 )) ASSI { 594} (( segid B and resid 34 and name HN )) (( segid B and resid 33 and name HB1 )) 3.400 1.400 1.400 peak 594 spectrum 1 weight 0.10000E+01 volume 0.88807E-03 ppm1 7.663 ppm2 2.460 CV 1 OR { 594} (( segid A and resid 34 and name HN )) (( segid A and resid 33 and name HB1 )) ASSI { 595} (( segid A and resid 36 and name HN )) (( segid A and resid 33 and name HB1 )) 3.200 3.200 2.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.55586E-03 ppm1 8.584 ppm2 2.465 CV 1 OR { 595} (( segid B and resid 36 and name HN )) (( segid B and resid 33 and name HB1 )) ASSI { 596} (( segid A and resid 30 and name HN )) (( segid A and resid 33 and name HB1 )) 4.100 2.100 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.60395E-03 ppm1 9.316 ppm2 2.466 CV 1 OR { 596} (( segid B and resid 30 and name HN )) (( segid B and resid 33 and name HB1 )) ASSI { 600} (( segid B and resid 39 and name HN )) (( segid B and resid 39 and name HG2 )) 3.600 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 8.798 ppm2 2.506 CV 1 OR { 600} (( segid A and resid 39 and name HN )) (( segid A and resid 39 and name HG2 )) ASSI { 601} (( segid B and resid 40 and name HN )) (( segid B and resid 39 and name HG2 )) 4.300 2.300 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.67126E-03 ppm1 8.088 ppm2 2.513 CV 1 OR { 601} (( segid A and resid 40 and name HN )) (( segid A and resid 39 and name HG2 )) ASSI { 605} (( segid B and resid 115 and name HN )) (( segid B and resid 114 and name HB1 )) 3.700 1.700 1.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.82232E-03 ppm1 7.872 ppm2 2.558 CV 1 OR { 605} (( segid A and resid 115 and name HN )) (( segid A and resid 114 and name HB1 )) ASSI { 606} (( segid A and resid 114 and name HN )) (( segid A and resid 114 and name HB1 )) 3.000 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.25368E-02 ppm1 7.791 ppm2 2.570 CV 1 OR { 606} (( segid B and resid 114 and name HN )) (( segid B and resid 114 and name HB1 )) ASSI { 607} (( segid B and resid 76 and name HN )) (( segid B and resid 76 and name HG2 )) 2.900 1.100 1.100 peak 607 spectrum 1 weight 0.10000E+01 volume 0.12421E-02 ppm1 8.495 ppm2 2.582 CV 1 OR { 607} (( segid A and resid 76 and name HN )) (( segid A and resid 76 and name HG2 )) ASSI { 608} (( segid A and resid 11 and name HN )) (( segid A and resid 11 and name HG1 )) 3.000 1.100 1.100 peak 608 spectrum 1 weight 0.10000E+01 volume 0.30359E-02 ppm1 8.310 ppm2 2.588 CV 1 OR { 608} (( segid B and resid 11 and name HN )) (( segid B and resid 11 and name HG1 )) ASSI { 610} (( segid B and resid 45 and name HN )) (( segid B and resid 42 and name HG1 )) 2.500 2.500 3.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 9.093 ppm2 2.638 CV 1 OR { 610} (( segid A and resid 45 and name HN )) (( segid A and resid 42 and name HG1 )) OR { 610} (( segid B and resid 45 and name HN )) (( segid B and resid 42 and name HG2 )) ASSI { 613} (( segid B and resid 15 and name HN )) (( segid B and resid 15 and name HB1 )) 2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.10078E-01 ppm1 8.339 ppm2 2.647 CV 1 OR { 613} (( segid A and resid 15 and name HN )) (( segid A and resid 15 and name HB1 )) ASSI { 614} (( segid A and resid 42 and name HE22)) (( segid A and resid 42 and name HG1 )) 3.900 1.900 1.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 7.703 ppm2 2.652 CV 1 OR { 614} (( segid A and resid 42 and name HE22)) (( segid A and resid 42 and name HG2 )) OR { 614} (( segid B and resid 42 and name HE22)) (( segid B and resid 42 and name HG1 )) OR { 614} (( segid B and resid 42 and name HE22)) (( segid B and resid 42 and name HG2 )) ASSI { 615} (( segid B and resid 42 and name HE21)) (( segid B and resid 42 and name HG1 )) 3.200 1.300 1.300 peak 615 spectrum 1 weight 0.10000E+01 volume 0.11552E-02 ppm1 7.051 ppm2 2.653 CV 1 OR { 615} (( segid B and resid 42 and name HE21)) (( segid B and resid 42 and name HG2 )) OR { 615} (( segid A and resid 42 and name HE21)) (( segid A and resid 42 and name HG1 )) OR { 615} (( segid A and resid 42 and name HE21)) (( segid A and resid 42 and name HG2 )) ASSI { 616} (( segid B and resid 19 and name HN )) (( segid B and resid 19 and name HB1 )) 3.600 1.600 1.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.14296E-02 ppm1 9.417 ppm2 2.660 CV 1 OR { 616} (( segid A and resid 19 and name HN )) (( segid A and resid 19 and name HB1 )) ASSI { 617} (( segid A and resid 20 and name HN )) (( segid A and resid 19 and name HB1 )) 3.800 1.800 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.66916E-03 ppm1 8.757 ppm2 2.662 CV 1 OR { 617} (( segid B and resid 20 and name HN )) (( segid B and resid 19 and name HB1 )) ASSI { 618} (( segid B and resid 83 and name HN )) (( segid B and resid 82 and name HB1 )) 3.600 1.600 1.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.81999E-03 ppm1 8.700 ppm2 2.664 CV 1 OR { 618} (( segid A and resid 83 and name HN )) (( segid A and resid 82 and name HB1 )) ASSI { 619} (( segid A and resid 81 and name HN )) (( segid A and resid 82 and name HB1 )) 4.100 2.100 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 7.027 ppm2 2.665 CV 1 OR { 619} (( segid B and resid 81 and name HN )) (( segid B and resid 82 and name HB1 )) ASSI { 620} (( segid A and resid 82 and name HN )) (( segid A and resid 82 and name HB1 )) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.35068E-02 ppm1 7.333 ppm2 2.667 CV 1 OR { 620} (( segid B and resid 82 and name HN )) (( segid B and resid 82 and name HB1 )) ASSI { 621} (( segid A and resid 29 and name HN )) (( segid A and resid 28 and name HB1 )) 3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.83590E-03 ppm1 7.131 ppm2 2.670 CV 1 OR { 621} (( segid B and resid 29 and name HN )) (( segid B and resid 28 and name HB1 )) ASSI { 622} (( segid A and resid 28 and name HN )) (( segid A and resid 28 and name HB1 )) 2.600 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.46001E-02 ppm1 8.317 ppm2 2.672 CV 1 OR { 622} (( segid B and resid 28 and name HN )) (( segid B and resid 28 and name HB1 )) ASSI { 623} (( segid B and resid 65 and name HN )) (( segid B and resid 19 and name HB1 )) 4.500 2.600 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.34232E-03 ppm1 9.586 ppm2 2.672 CV 1 OR { 623} (( segid A and resid 65 and name HN )) (( segid A and resid 19 and name HB1 )) ASSI { 624} (( segid B and resid 11 and name HN )) (( segid B and resid 11 and name HG2 )) 3.100 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.21442E-02 ppm1 8.308 ppm2 2.680 CV 1 OR { 624} (( segid A and resid 11 and name HN )) (( segid A and resid 11 and name HG2 )) ASSI { 625} (( segid B and resid 8 and name HN )) (( segid B and resid 8 and name HB1 )) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.19933E-01 ppm1 8.268 ppm2 2.697 CV 1 OR { 625} (( segid A and resid 8 and name HN )) (( segid A and resid 8 and name HB1 )) ASSI { 626} (( segid B and resid 9 and name HN )) (( segid B and resid 8 and name HB1 )) 2.600 2.600 3.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.75496E-02 ppm1 8.106 ppm2 2.700 CV 1 OR { 626} (( segid A and resid 9 and name HN )) (( segid A and resid 8 and name HB1 )) ASSI { 630} (( segid B and resid 15 and name HN )) (( segid B and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.60317E-02 ppm1 8.339 ppm2 2.717 CV 1 OR { 630} (( segid A and resid 15 and name HN )) (( segid A and resid 15 and name HB2 )) ASSI { 631} (( segid B and resid 36 and name HN )) (( segid B and resid 36 and name HB1 )) 3.000 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.21534E-02 ppm1 8.579 ppm2 2.738 CV 1 OR { 631} (( segid A and resid 36 and name HN )) (( segid A and resid 36 and name HB1 )) ASSI { 632} (( segid A and resid 37 and name HN )) (( segid A and resid 36 and name HB1 )) 3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15830E-02 ppm1 7.895 ppm2 2.744 CV 1 OR { 632} (( segid B and resid 37 and name HN )) (( segid B and resid 36 and name HB1 )) ASSI { 633} (( segid B and resid 87 and name HN )) (( segid B and resid 87 and name HB1 )) 3.600 1.600 1.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.18643E-02 ppm1 8.924 ppm2 2.760 CV 1 OR { 633} (( segid A and resid 87 and name HN )) (( segid A and resid 87 and name HB1 )) ASSI { 634} (( segid B and resid 87 and name HD21)) (( segid B and resid 87 and name HB1 )) 3.500 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.15200E-02 ppm1 6.920 ppm2 2.762 CV 1 OR { 634} (( segid A and resid 87 and name HD21)) (( segid A and resid 87 and name HB1 )) ASSI { 635} (( segid A and resid 87 and name HD22)) (( segid A and resid 87 and name HB1 )) 3.700 1.700 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.18253E-02 ppm1 7.367 ppm2 2.765 CV 1 OR { 635} (( segid B and resid 87 and name HD22)) (( segid B and resid 87 and name HB1 )) ASSI { 637} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HB1 )) 3.400 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 7.934 ppm2 2.766 CV 1 OR { 637} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HB1 )) ASSI { 638} (( segid A and resid 8 and name HN )) (( segid A and resid 8 and name HB2 )) 2.200 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.16258E-01 ppm1 8.268 ppm2 2.794 CV 1 OR { 638} (( segid B and resid 8 and name HN )) (( segid B and resid 8 and name HB2 )) ASSI { 639} (( segid A and resid 57 and name HN )) (( segid A and resid 56 and name HB1 )) 4.400 2.400 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.58679E-03 ppm1 8.556 ppm2 2.831 CV 1 OR { 639} (( segid B and resid 57 and name HN )) (( segid B and resid 56 and name HB1 )) ASSI { 642} (( segid A and resid 115 and name HN )) (( segid A and resid 114 and name HB2 )) 3.700 1.700 1.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.10883E-02 ppm1 7.873 ppm2 2.842 CV 1 OR { 642} (( segid B and resid 115 and name HN )) (( segid B and resid 114 and name HB2 )) ASSI { 643} (( segid B and resid 114 and name HN )) (( segid B and resid 114 and name HB2 )) 2.900 1.000 1.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.34292E-02 ppm1 7.791 ppm2 2.844 CV 1 OR { 643} (( segid A and resid 114 and name HN )) (( segid A and resid 114 and name HB2 )) ASSI { 647} (( segid B and resid 105 and name HN )) (( segid B and resid 105 and name HB2 )) 3.700 1.700 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.72055E-03 ppm1 6.310 ppm2 2.876 CV 1 OR { 647} (( segid A and resid 105 and name HN )) (( segid A and resid 105 and name HB2 )) ASSI { 648} (( segid B and resid 81 and name HN )) (( segid B and resid 82 and name HB2 )) 3.900 1.900 1.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 7.025 ppm2 2.896 CV 1 OR { 648} (( segid A and resid 81 and name HN )) (( segid A and resid 82 and name HB2 )) ASSI { 649} (( segid B and resid 82 and name HN )) (( segid B and resid 82 and name HB2 )) 2.600 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.36253E-02 ppm1 7.334 ppm2 2.900 CV 1 OR { 649} (( segid A and resid 82 and name HN )) (( segid A and resid 82 and name HB2 )) ASSI { 650} (( segid B and resid 23 and name HN )) (( segid B and resid 61 and name HB2 )) 3.600 1.600 1.600 peak 650 spectrum 1 weight 0.10000E+01 volume 0.66755E-03 ppm1 9.673 ppm2 2.900 CV 1 OR { 650} (( segid A and resid 23 and name HN )) (( segid A and resid 61 and name HB1 )) OR { 650} (( segid B and resid 23 and name HN )) (( segid B and resid 61 and name HB1 )) OR { 650} (( segid A and resid 23 and name HN )) (( segid A and resid 61 and name HB2 )) ASSI { 651} (( segid B and resid 85 and name HN )) (( segid B and resid 82 and name HB2 )) 3.700 1.700 1.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 8.307 ppm2 2.904 CV 1 OR { 651} (( segid A and resid 85 and name HN )) (( segid A and resid 82 and name HB2 )) ASSI { 653} (( segid B and resid 83 and name HN )) (( segid B and resid 82 and name HB2 )) 3.600 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.71637E-03 ppm1 8.700 ppm2 2.905 CV 1 OR { 653} (( segid A and resid 83 and name HN )) (( segid A and resid 82 and name HB2 )) ASSI { 657} (( segid A and resid 19 and name HN )) (( segid A and resid 19 and name HB2 )) 3.100 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 9.410 ppm2 2.941 CV 1 OR { 657} (( segid B and resid 19 and name HN )) (( segid B and resid 19 and name HB2 )) ASSI { 659} (( segid B and resid 28 and name HN )) (( segid B and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.36285E-02 ppm1 8.317 ppm2 2.959 CV 1 OR { 659} (( segid A and resid 28 and name HN )) (( segid A and resid 28 and name HB2 )) ASSI { 662} (( segid B and resid 29 and name HN )) (( segid B and resid 28 and name HB2 )) 3.900 1.900 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.74562E-03 ppm1 7.121 ppm2 2.966 CV 1 OR { 662} (( segid A and resid 29 and name HN )) (( segid A and resid 28 and name HB2 )) ASSI { 664} (( segid B and resid 55 and name HN )) (( segid B and resid 62 and name HB1 )) 3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.49434E-03 ppm1 10.046 ppm2 2.979 CV 1 OR { 664} (( segid A and resid 55 and name HN )) (( segid A and resid 62 and name HB2 )) OR { 664} (( segid B and resid 55 and name HN )) (( segid B and resid 62 and name HB2 )) OR { 664} (( segid A and resid 55 and name HN )) (( segid A and resid 62 and name HB1 )) ASSI { 665} (( segid A and resid 21 and name HN )) (( segid A and resid 62 and name HB1 )) 4.400 2.500 1.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.37601E-03 ppm1 8.765 ppm2 2.980 CV 1 OR { 665} (( segid B and resid 21 and name HN )) (( segid B and resid 62 and name HB2 )) OR { 665} (( segid A and resid 21 and name HN )) (( segid A and resid 62 and name HB2 )) OR { 665} (( segid B and resid 21 and name HN )) (( segid B and resid 62 and name HB1 )) ASSI { 667} (( segid A and resid 37 and name HN )) (( segid A and resid 37 and name HA )) 2.800 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.25891E-02 ppm1 7.894 ppm2 2.994 CV 1 OR { 667} (( segid B and resid 37 and name HN )) (( segid B and resid 37 and name HA )) ASSI { 668} (( segid A and resid 38 and name HN )) (( segid A and resid 37 and name HA )) 3.600 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.79977E-03 ppm1 8.445 ppm2 2.997 CV 1 OR { 668} (( segid B and resid 38 and name HN )) (( segid B and resid 37 and name HA )) ASSI { 669} (( segid A and resid 65 and name HN )) (( segid A and resid 64 and name HB1 )) 4.400 2.500 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.36926E-03 ppm1 9.589 ppm2 3.001 CV 1 OR { 669} (( segid B and resid 65 and name HN )) (( segid B and resid 64 and name HB2 )) OR { 669} (( segid A and resid 65 and name HN )) (( segid A and resid 64 and name HB2 )) OR { 669} (( segid B and resid 65 and name HN )) (( segid B and resid 64 and name HB1 )) ASSI { 670} (( segid B and resid 40 and name HN )) (( segid B and resid 37 and name HA )) 3.900 1.900 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.41075E-03 ppm1 8.091 ppm2 3.004 CV 1 OR { 670} (( segid A and resid 40 and name HN )) (( segid A and resid 37 and name HA )) ASSI { 672} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HE1 )) 4.200 2.200 1.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.73575E-03 ppm1 7.371 ppm2 3.010 CV 1 OR { 672} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HE1 )) OR { 672} (( segid A and resid 98 and name HN )) (( segid A and resid 98 and name HE2 )) OR { 672} (( segid B and resid 98 and name HN )) (( segid B and resid 98 and name HE2 )) ASSI { 674} (( segid A and resid 53 and name HN )) (( segid A and resid 64 and name HB2 )) 3.600 1.600 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11219E-02 ppm1 7.976 ppm2 3.015 CV 1 OR { 674} (( segid B and resid 53 and name HN )) (( segid B and resid 64 and name HB1 )) OR { 674} (( segid A and resid 53 and name HN )) (( segid A and resid 64 and name HB1 )) ASSI { 675} (( segid B and resid 90 and name HN )) (( segid B and resid 21 and name HB2 )) 3.700 1.800 1.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.48893E-03 ppm1 8.724 ppm2 3.033 CV 1 OR { 675} (( segid A and resid 90 and name HN )) (( segid A and resid 21 and name HB2 )) ASSI { 678} (( segid A and resid 92 and name HN )) (( segid A and resid 21 and name HB2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.48831E-03 ppm1 7.722 ppm2 3.056 CV 1 OR { 678} (( segid B and resid 92 and name HN )) (( segid B and resid 21 and name HB2 )) ASSI { 683} (( segid A and resid 21 and name HN )) (( segid A and resid 21 and name HB2 )) 4.300 2.300 1.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.37410E-03 ppm1 8.767 ppm2 3.069 CV 1 OR { 683} (( segid B and resid 21 and name HN )) (( segid B and resid 21 and name HB2 )) ASSI { 685} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HB2 )) 2.600 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.21673E-02 ppm1 7.933 ppm2 3.078 CV 1 OR { 685} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HB2 )) ASSI { 686} (( segid A and resid 87 and name HD22)) (( segid A and resid 87 and name HB2 )) 3.600 1.600 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.19473E-02 ppm1 7.365 ppm2 3.079 CV 1 OR { 686} (( segid B and resid 87 and name HD22)) (( segid B and resid 87 and name HB2 )) ASSI { 687} (( segid B and resid 87 and name HD21)) (( segid B and resid 87 and name HB2 )) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 6.918 ppm2 3.080 CV 1 OR { 687} (( segid A and resid 87 and name HD21)) (( segid A and resid 87 and name HB2 )) ASSI { 688} (( segid A and resid 87 and name HN )) (( segid A and resid 87 and name HB2 )) 2.900 1.000 1.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 8.924 ppm2 3.081 CV 1 OR { 688} (( segid B and resid 87 and name HN )) (( segid B and resid 87 and name HB2 )) ASSI { 689} (( segid A and resid 101 and name HN )) (( segid A and resid 101 and name HB1 )) 4.100 2.100 1.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.57312E-03 ppm1 9.582 ppm2 3.085 CV 1 OR { 689} (( segid B and resid 101 and name HN )) (( segid B and resid 101 and name HB1 )) ASSI { 690} (( segid B and resid 40 and name HN )) (( segid B and resid 36 and name HB2 )) 3.400 3.400 2.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.35975E-03 ppm1 8.087 ppm2 3.088 CV 1 OR { 690} (( segid A and resid 40 and name HN )) (( segid A and resid 36 and name HB2 )) ASSI { 691} (( segid B and resid 102 and name HN )) (( segid B and resid 101 and name HB1 )) 3.800 1.800 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.74885E-03 ppm1 8.518 ppm2 3.088 CV 1 OR { 691} (( segid A and resid 102 and name HN )) (( segid A and resid 101 and name HB1 )) ASSI { 692} (( segid B and resid 37 and name HN )) (( segid B and resid 36 and name HB2 )) 3.400 1.400 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.17887E-02 ppm1 7.897 ppm2 3.092 CV 1 OR { 692} (( segid A and resid 37 and name HN )) (( segid A and resid 36 and name HB2 )) ASSI { 693} (( segid A and resid 52 and name HN )) (( segid A and resid 101 and name HB1 )) 3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.86737E-03 ppm1 9.079 ppm2 3.094 CV 1 OR { 693} (( segid B and resid 52 and name HN )) (( segid B and resid 101 and name HB1 )) ASSI { 696} (( segid B and resid 103 and name HN )) (( segid B and resid 101 and name HB1 )) 3.600 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.80880E-03 ppm1 8.075 ppm2 3.096 CV 1 OR { 696} (( segid A and resid 103 and name HN )) (( segid A and resid 101 and name HB1 )) ASSI { 699} (( segid B and resid 105 and name HN )) (( segid B and resid 104 and name HB1 )) 4.200 2.200 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.70386E-03 ppm1 6.319 ppm2 3.108 CV 1 OR { 699} (( segid A and resid 105 and name HN )) (( segid A and resid 104 and name HB1 )) ASSI { 701} (( segid A and resid 104 and name HN )) (( segid A and resid 104 and name HB1 )) 3.000 1.100 1.100 peak 701 spectrum 1 weight 0.10000E+01 volume 0.21779E-02 ppm1 8.442 ppm2 3.123 CV 1 OR { 701} (( segid B and resid 104 and name HN )) (( segid B and resid 104 and name HB1 )) ASSI { 704} (( segid A and resid 53 and name HN )) (( segid A and resid 104 and name HB1 )) 3.900 1.900 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.69058E-03 ppm1 7.976 ppm2 3.130 CV 1 OR { 704} (( segid B and resid 53 and name HN )) (( segid B and resid 104 and name HB1 )) ASSI { 706} (( segid A and resid 46 and name HN )) (( segid A and resid 44 and name HB1 )) 3.300 3.300 2.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.48754E-03 ppm1 7.276 ppm2 3.179 CV 1 OR { 706} (( segid B and resid 46 and name HN )) (( segid B and resid 44 and name HB1 )) ASSI { 709} (( segid A and resid 22 and name HE )) (( segid A and resid 22 and name HD1 )) 2.800 1.000 1.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.21420E-02 ppm1 7.270 ppm2 3.200 CV 1 OR { 709} (( segid B and resid 22 and name HE )) (( segid B and resid 22 and name HD2 )) OR { 709} (( segid B and resid 22 and name HE )) (( segid B and resid 22 and name HD1 )) OR { 709} (( segid A and resid 22 and name HE )) (( segid A and resid 22 and name HD2 )) ASSI { 711} (( segid B and resid 71 and name HN )) (( segid B and resid 68 and name HB1 )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.23312E-02 ppm1 7.413 ppm2 3.204 CV 1 OR { 711} (( segid A and resid 71 and name HN )) (( segid A and resid 68 and name HB1 )) ASSI { 712} (( segid B and resid 68 and name HN )) (( segid B and resid 68 and name HB1 )) 2.400 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.48741E-02 ppm1 9.456 ppm2 3.206 CV 1 OR { 712} (( segid A and resid 68 and name HN )) (( segid A and resid 68 and name HB1 )) ASSI { 713} (( segid A and resid 33 and name HN )) (( segid A and resid 33 and name HB2 )) 2.600 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.41605E-02 ppm1 7.754 ppm2 3.210 CV 1 OR { 713} (( segid B and resid 33 and name HN )) (( segid B and resid 33 and name HB2 )) ASSI { 714} (( segid A and resid 30 and name HN )) (( segid A and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.87174E-03 ppm1 9.307 ppm2 3.211 CV 1 OR { 714} (( segid B and resid 30 and name HN )) (( segid B and resid 33 and name HB2 )) ASSI { 715} (( segid B and resid 103 and name HN )) (( segid B and resid 101 and name HB2 )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 8.078 ppm2 3.213 CV 1 OR { 715} (( segid A and resid 103 and name HN )) (( segid A and resid 101 and name HB2 )) ASSI { 716} (( segid A and resid 52 and name HN )) (( segid A and resid 101 and name HB2 )) 3.800 1.800 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.72899E-03 ppm1 9.081 ppm2 3.214 CV 1 OR { 716} (( segid B and resid 52 and name HN )) (( segid B and resid 101 and name HB2 )) ASSI { 719} (( segid B and resid 102 and name HN )) (( segid B and resid 101 and name HB2 )) 3.200 1.200 1.200 peak 719 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 8.527 ppm2 3.219 CV 1 OR { 719} (( segid A and resid 102 and name HN )) (( segid A and resid 101 and name HB2 )) ASSI { 720} (( segid A and resid 44 and name HN )) (( segid A and resid 44 and name HB1 )) 2.900 1.100 1.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.24340E-02 ppm1 8.225 ppm2 3.220 CV 1 OR { 720} (( segid B and resid 44 and name HN )) (( segid B and resid 44 and name HB1 )) ASSI { 721} (( segid B and resid 101 and name HN )) (( segid B and resid 101 and name HB2 )) 3.700 1.700 1.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.62322E-03 ppm1 9.586 ppm2 3.221 CV 1 OR { 721} (( segid A and resid 101 and name HN )) (( segid A and resid 101 and name HB2 )) ASSI { 723} (( segid A and resid 78 and name HN )) (( segid A and resid 78 and name HB1 )) 2.900 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.48965E-02 ppm1 7.158 ppm2 3.239 CV 1 OR { 723} (( segid B and resid 78 and name HN )) (( segid B and resid 78 and name HB1 )) ASSI { 724} (( segid B and resid 125 and name HN )) (( segid B and resid 124 and name HD1 )) 2.800 2.800 3.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 7.991 ppm2 3.241 CV 1 OR { 724} (( segid A and resid 125 and name HN )) (( segid A and resid 124 and name HD1 )) OR { 724} (( segid B and resid 125 and name HN )) (( segid B and resid 124 and name HD2 )) OR { 724} (( segid A and resid 125 and name HN )) (( segid A and resid 124 and name HD2 )) ASSI { 725} (( segid A and resid 79 and name HN )) (( segid A and resid 78 and name HB1 )) 3.200 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 8.570 ppm2 3.242 CV 1 OR { 725} (( segid B and resid 79 and name HN )) (( segid B and resid 78 and name HB1 )) ASSI { 728} (( segid B and resid 46 and name HN )) (( segid B and resid 45 and name HB1 )) 3.500 1.500 1.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.79695E-03 ppm1 7.284 ppm2 3.260 CV 1 OR { 728} (( segid A and resid 46 and name HN )) (( segid A and resid 45 and name HB1 )) OR { 728} (( segid A and resid 46 and name HN )) (( segid A and resid 45 and name HB2 )) OR { 728} (( segid B and resid 46 and name HN )) (( segid B and resid 45 and name HB2 )) ASSI { 729} (( segid A and resid 47 and name HN )) (( segid A and resid 47 and name HD1 )) 3.600 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 7.174 ppm2 3.268 CV 1 OR { 729} (( segid B and resid 47 and name HN )) (( segid B and resid 47 and name HD2 )) OR { 729} (( segid A and resid 47 and name HN )) (( segid A and resid 47 and name HD2 )) OR { 729} (( segid B and resid 47 and name HN )) (( segid B and resid 47 and name HD1 )) ASSI { 731} (( segid A and resid 50 and name HN )) (( segid A and resid 45 and name HB1 )) 3.100 1.200 1.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.64033E-03 ppm1 9.006 ppm2 3.274 CV 1 OR { 731} (( segid B and resid 50 and name HN )) (( segid B and resid 45 and name HB1 )) OR { 731} (( segid A and resid 50 and name HN )) (( segid A and resid 45 and name HB2 )) ASSI { 735} (( segid B and resid 44 and name HN )) (( segid B and resid 45 and name HB2 )) 4.200 2.200 1.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.98451E-03 ppm1 8.198 ppm2 3.293 CV 1 OR { 735} (( segid A and resid 44 and name HN )) (( segid A and resid 45 and name HB2 )) OR { 735} (( segid B and resid 44 and name HN )) (( segid B and resid 45 and name HB1 )) ASSI { 736} (( segid A and resid 52 and name HN )) (( segid A and resid 104 and name HB2 )) 4.300 2.400 1.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.43014E-03 ppm1 9.092 ppm2 3.339 CV 1 OR { 736} (( segid B and resid 52 and name HN )) (( segid B and resid 104 and name HB2 )) ASSI { 737} (( segid A and resid 46 and name HN )) (( segid A and resid 44 and name HB2 )) 3.100 3.100 2.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.69082E-03 ppm1 7.284 ppm2 3.345 CV 1 OR { 737} (( segid B and resid 46 and name HN )) (( segid B and resid 44 and name HB2 )) ASSI { 738} (( segid B and resid 105 and name HN )) (( segid B and resid 104 and name HB2 )) 4.200 2.200 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.55769E-03 ppm1 6.320 ppm2 3.359 CV 1 OR { 738} (( segid A and resid 105 and name HN )) (( segid A and resid 104 and name HB2 )) ASSI { 739} (( segid A and resid 44 and name HN )) (( segid A and resid 44 and name HB2 )) 2.900 1.000 1.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.22166E-02 ppm1 8.213 ppm2 3.360 CV 1 OR { 739} (( segid B and resid 44 and name HN )) (( segid B and resid 44 and name HB2 )) ASSI { 740} (( segid A and resid 45 and name HN )) (( segid A and resid 44 and name HB2 )) 3.400 1.400 1.400 peak 740 spectrum 1 weight 0.10000E+01 volume 0.29777E-02 ppm1 9.094 ppm2 3.362 CV 1 OR { 740} (( segid B and resid 45 and name HN )) (( segid B and resid 44 and name HB2 )) ASSI { 742} (( segid A and resid 104 and name HN )) (( segid A and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 742 spectrum 1 weight 0.10000E+01 volume 0.24488E-02 ppm1 8.443 ppm2 3.371 CV 1 OR { 742} (( segid B and resid 104 and name HN )) (( segid B and resid 104 and name HB2 )) ASSI { 743} (( segid A and resid 71 and name HN )) (( segid A and resid 68 and name HB2 )) 3.900 1.900 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 7.412 ppm2 3.379 CV 1 OR { 743} (( segid B and resid 71 and name HN )) (( segid B and resid 68 and name HB2 )) ASSI { 744} (( segid A and resid 68 and name HN )) (( segid A and resid 68 and name HB2 )) 2.400 0.700 0.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.55424E-02 ppm1 9.457 ppm2 3.381 CV 1 OR { 744} (( segid B and resid 68 and name HN )) (( segid B and resid 68 and name HB2 )) ASSI { 745} (( segid B and resid 75 and name HN )) (( segid B and resid 72 and name HA )) 3.600 1.600 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.91511E-03 ppm1 7.654 ppm2 3.431 CV 1 OR { 745} (( segid A and resid 75 and name HN )) (( segid A and resid 72 and name HA )) ASSI { 746} (( segid B and resid 71 and name HN )) (( segid B and resid 72 and name HA )) 3.800 1.800 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 7.413 ppm2 3.433 CV 1 OR { 746} (( segid A and resid 71 and name HN )) (( segid A and resid 72 and name HA )) ASSI { 747} (( segid A and resid 73 and name HN )) (( segid A and resid 72 and name HA )) 3.000 1.100 1.100 peak 747 spectrum 1 weight 0.10000E+01 volume 0.22684E-02 ppm1 8.260 ppm2 3.435 CV 1 OR { 747} (( segid B and resid 73 and name HN )) (( segid B and resid 72 and name HA )) ASSI { 750} (( segid A and resid 26 and name HN )) (( segid A and resid 85 and name HB1 )) 3.700 1.700 1.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.12122E-02 ppm1 8.399 ppm2 3.484 CV 1 OR { 750} (( segid B and resid 26 and name HN )) (( segid B and resid 85 and name HB1 )) ASSI { 751} (( segid B and resid 86 and name HN )) (( segid B and resid 85 and name HB1 )) 3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.29781E-02 ppm1 9.310 ppm2 3.486 CV 1 OR { 751} (( segid A and resid 86 and name HN )) (( segid A and resid 85 and name HB1 )) ASSI { 752} (( segid A and resid 85 and name HN )) (( segid A and resid 85 and name HB1 )) 3.400 1.500 1.500 peak 752 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 8.304 ppm2 3.488 CV 1 OR { 752} (( segid B and resid 85 and name HN )) (( segid B and resid 85 and name HB1 )) ASSI { 753} (( segid A and resid 25 and name HN )) (( segid A and resid 59 and name HA1 )) 4.100 2.100 1.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.60084E-03 ppm1 8.444 ppm2 3.488 CV 1 OR { 753} (( segid B and resid 25 and name HN )) (( segid B and resid 59 and name HA1 )) ASSI { 754} (( segid B and resid 24 and name HN )) (( segid B and resid 85 and name HB1 )) 4.100 2.100 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.58584E-03 ppm1 8.826 ppm2 3.495 CV 1 OR { 754} (( segid A and resid 24 and name HN )) (( segid A and resid 85 and name HB1 )) ASSI { 755} (( segid A and resid 59 and name HN )) (( segid A and resid 59 and name HA1 )) 3.000 1.100 1.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.25612E-02 ppm1 6.498 ppm2 3.519 CV 1 OR { 755} (( segid B and resid 59 and name HN )) (( segid B and resid 59 and name HA1 )) ASSI { 756} (( segid B and resid 60 and name HN )) (( segid B and resid 59 and name HA1 )) 3.300 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.98056E-03 ppm1 7.765 ppm2 3.519 CV 1 OR { 756} (( segid A and resid 60 and name HN )) (( segid A and resid 59 and name HA1 )) ASSI { 761} (( segid B and resid 45 and name HN )) (( segid B and resid 41 and name HA )) 3.300 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.13815E-02 ppm1 9.092 ppm2 3.546 CV 1 OR { 761} (( segid A and resid 45 and name HN )) (( segid A and resid 41 and name HA )) ASSI { 762} (( segid B and resid 41 and name HN )) (( segid B and resid 41 and name HB1 )) 2.900 1.100 1.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.20244E-02 ppm1 7.807 ppm2 3.547 CV 1 OR { 762} (( segid A and resid 41 and name HN )) (( segid A and resid 41 and name HB1 )) OR { 762} (( segid B and resid 41 and name HN )) (( segid B and resid 41 and name HB2 )) OR { 762} (( segid A and resid 41 and name HN )) (( segid A and resid 41 and name HB2 )) ASSI { 763} (( segid A and resid 42 and name HN )) (( segid A and resid 41 and name HA )) 3.800 1.800 1.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.55145E-03 ppm1 8.734 ppm2 3.547 CV 1 OR { 763} (( segid B and resid 42 and name HN )) (( segid B and resid 41 and name HA )) OR { 763} (( segid A and resid 42 and name HN )) (( segid A and resid 41 and name HB1 )) OR { 763} (( segid B and resid 42 and name HN )) (( segid B and resid 41 and name HB1 )) OR { 763} (( segid A and resid 42 and name HN )) (( segid A and resid 41 and name HB2 )) ASSI { 764} (( segid B and resid 44 and name HN )) (( segid B and resid 41 and name HA )) 3.400 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.91751E-03 ppm1 8.208 ppm2 3.549 CV 1 OR { 764} (( segid A and resid 44 and name HN )) (( segid A and resid 41 and name HA )) ASSI { 765} (( segid A and resid 39 and name HN )) (( segid A and resid 38 and name HA )) 3.800 1.800 1.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.53861E-03 ppm1 8.809 ppm2 3.550 CV 1 OR { 765} (( segid B and resid 39 and name HN )) (( segid B and resid 38 and name HA )) ASSI { 769} (( segid A and resid 57 and name HN )) (( segid A and resid 57 and name HB1 )) 3.300 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.12890E-02 ppm1 8.557 ppm2 3.660 CV 1 OR { 769} (( segid B and resid 57 and name HN )) (( segid B and resid 57 and name HB1 )) OR { 769} (( segid A and resid 57 and name HN )) (( segid A and resid 57 and name HB2 )) OR { 769} (( segid B and resid 57 and name HN )) (( segid B and resid 57 and name HB2 )) ASSI { 770} (( segid B and resid 58 and name HN )) (( segid B and resid 57 and name HB1 )) 4.300 2.300 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.73515E-03 ppm1 9.290 ppm2 3.675 CV 1 OR { 770} (( segid A and resid 58 and name HN )) (( segid A and resid 57 and name HB1 )) OR { 770} (( segid B and resid 58 and name HN )) (( segid B and resid 57 and name HB2 )) OR { 770} (( segid A and resid 58 and name HN )) (( segid A and resid 57 and name HB2 )) ASSI { 771} (( segid B and resid 79 and name HN )) (( segid B and resid 75 and name HA )) 3.700 1.700 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.61532E-03 ppm1 8.569 ppm2 3.678 CV 1 OR { 771} (( segid A and resid 79 and name HN )) (( segid A and resid 75 and name HA )) ASSI { 772} (( segid B and resid 89 and name HN )) (( segid B and resid 88 and name HA )) 2.300 0.700 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.63668E-02 ppm1 9.604 ppm2 3.688 CV 1 OR { 772} (( segid A and resid 89 and name HN )) (( segid A and resid 88 and name HA )) ASSI { 773} (( segid A and resid 88 and name HN )) (( segid A and resid 88 and name HA )) 2.300 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.51989E-02 ppm1 7.934 ppm2 3.691 CV 1 OR { 773} (( segid B and resid 88 and name HN )) (( segid B and resid 88 and name HA )) ASSI { 774} (( segid A and resid 75 and name HN )) (( segid A and resid 75 and name HA )) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.27492E-02 ppm1 7.653 ppm2 3.692 CV 1 OR { 774} (( segid B and resid 75 and name HN )) (( segid B and resid 75 and name HA )) ASSI { 775} (( segid B and resid 78 and name HN )) (( segid B and resid 75 and name HA )) 3.000 1.100 1.100 peak 775 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 7.160 ppm2 3.694 CV 1 OR { 775} (( segid A and resid 78 and name HN )) (( segid A and resid 75 and name HA )) ASSI { 776} (( segid B and resid 80 and name HE21)) (( segid B and resid 80 and name HA )) 3.600 1.600 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.58988E-03 ppm1 6.647 ppm2 3.695 CV 1 OR { 776} (( segid A and resid 80 and name HE21)) (( segid A and resid 80 and name HA )) ASSI { 777} (( segid B and resid 19 and name HN )) (( segid B and resid 18 and name HB1 )) 4.300 2.300 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.73031E-03 ppm1 9.405 ppm2 3.698 CV 1 OR { 777} (( segid A and resid 19 and name HN )) (( segid A and resid 18 and name HB1 )) ASSI { 778} (( segid B and resid 76 and name HN )) (( segid B and resid 75 and name HA )) 3.500 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.93773E-03 ppm1 8.499 ppm2 3.701 CV 1 OR { 778} (( segid A and resid 76 and name HN )) (( segid A and resid 75 and name HA )) ASSI { 779} (( segid A and resid 18 and name HN )) (( segid A and resid 18 and name HB1 )) 3.200 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.79408E-03 ppm1 9.030 ppm2 3.706 CV 1 OR { 779} (( segid B and resid 18 and name HN )) (( segid B and resid 18 and name HB1 )) ASSI { 780} (( segid B and resid 80 and name HE22)) (( segid B and resid 80 and name HA )) 4.100 2.100 1.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.70602E-03 ppm1 6.841 ppm2 3.706 CV 1 OR { 780} (( segid A and resid 80 and name HE22)) (( segid A and resid 80 and name HA )) ASSI { 781} (( segid A and resid 24 and name HN )) (( segid A and resid 23 and name HB1 )) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 8.831 ppm2 3.707 CV 1 OR { 781} (( segid B and resid 24 and name HN )) (( segid B and resid 23 and name HB1 )) ASSI { 782} (( segid B and resid 23 and name HN )) (( segid B and resid 23 and name HB1 )) 3.500 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.78517E-03 ppm1 9.671 ppm2 3.708 CV 1 OR { 782} (( segid A and resid 23 and name HN )) (( segid A and resid 23 and name HB1 )) ASSI { 784} (( segid A and resid 80 and name HN )) (( segid A and resid 80 and name HA )) 2.600 0.800 0.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.39410E-02 ppm1 8.442 ppm2 3.718 CV 1 OR { 784} (( segid B and resid 80 and name HN )) (( segid B and resid 80 and name HA )) ASSI { 785} (( segid B and resid 81 and name HN )) (( segid B and resid 80 and name HA )) 3.000 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 7.029 ppm2 3.718 CV 1 OR { 785} (( segid A and resid 81 and name HN )) (( segid A and resid 80 and name HA )) ASSI { 786} (( segid B and resid 26 and name HN )) (( segid B and resid 85 and name HB2 )) 3.700 1.700 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 8.400 ppm2 3.785 CV 1 OR { 786} (( segid A and resid 26 and name HN )) (( segid A and resid 85 and name HB2 )) ASSI { 787} (( segid B and resid 85 and name HN )) (( segid B and resid 85 and name HB2 )) 3.400 1.400 1.400 peak 787 spectrum 1 weight 0.10000E+01 volume 0.15209E-02 ppm1 8.304 ppm2 3.786 CV 1 OR { 787} (( segid A and resid 85 and name HN )) (( segid A and resid 85 and name HB2 )) ASSI { 788} (( segid A and resid 86 and name HN )) (( segid A and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.24297E-02 ppm1 9.306 ppm2 3.790 CV 1 OR { 788} (( segid B and resid 86 and name HN )) (( segid B and resid 85 and name HB2 )) ASSI { 789} (( segid A and resid 43 and name HN )) (( segid A and resid 42 and name HA )) 3.800 1.800 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.58996E-03 ppm1 6.931 ppm2 3.792 CV 1 OR { 789} (( segid B and resid 43 and name HN )) (( segid B and resid 42 and name HA )) ASSI { 790} (( segid B and resid 45 and name HN )) (( segid B and resid 42 and name HA )) 3.300 1.400 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.10289E-02 ppm1 9.093 ppm2 3.801 CV 1 OR { 790} (( segid A and resid 45 and name HN )) (( segid A and resid 42 and name HA )) ASSI { 791} (( segid A and resid 88 and name HN )) (( segid A and resid 85 and name HB2 )) 3.200 1.300 1.300 peak 791 spectrum 1 weight 0.10000E+01 volume 0.96806E-03 ppm1 7.932 ppm2 3.802 CV 1 OR { 791} (( segid B and resid 88 and name HN )) (( segid B and resid 85 and name HB2 )) ASSI { 793} (( segid B and resid 42 and name HN )) (( segid B and resid 42 and name HA )) 3.400 1.500 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.89890E-03 ppm1 8.738 ppm2 3.807 CV 1 OR { 793} (( segid A and resid 42 and name HN )) (( segid A and resid 42 and name HA )) ASSI { 794} (( segid B and resid 24 and name HN )) (( segid B and resid 23 and name HB2 )) 3.100 1.200 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.22341E-02 ppm1 8.830 ppm2 3.808 CV 1 OR { 794} (( segid A and resid 24 and name HN )) (( segid A and resid 23 and name HB2 )) ASSI { 795} (( segid A and resid 46 and name HN )) (( segid A and resid 42 and name HA )) 3.400 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.86097E-03 ppm1 7.283 ppm2 3.809 CV 1 OR { 795} (( segid B and resid 46 and name HN )) (( segid B and resid 42 and name HA )) ASSI { 796} (( segid A and resid 23 and name HN )) (( segid A and resid 23 and name HB2 )) 3.700 1.700 1.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.56429E-03 ppm1 9.671 ppm2 3.826 CV 1 OR { 796} (( segid B and resid 23 and name HN )) (( segid B and resid 23 and name HB2 )) ASSI { 798} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HA )) 2.800 1.000 1.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 6.498 ppm2 3.845 CV 1 OR { 798} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HA )) ASSI { 799} (( segid A and resid 58 and name HN )) (( segid A and resid 58 and name HA )) 2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.39035E-02 ppm1 9.288 ppm2 3.846 CV 1 OR { 799} (( segid B and resid 58 and name HN )) (( segid B and resid 58 and name HA )) ASSI { 800} (( segid B and resid 60 and name HN )) (( segid B and resid 58 and name HA )) 4.200 2.200 1.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.59887E-03 ppm1 7.768 ppm2 3.846 CV 1 OR { 800} (( segid A and resid 60 and name HN )) (( segid A and resid 58 and name HA )) ASSI { 801} (( segid A and resid 94 and name HN )) (( segid A and resid 18 and name HB2 )) 3.900 1.900 1.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.56947E-03 ppm1 8.713 ppm2 3.846 CV 1 OR { 801} (( segid B and resid 94 and name HN )) (( segid B and resid 18 and name HB2 )) ASSI { 802} (( segid B and resid 119 and name HN )) (( segid B and resid 119 and name HA1 )) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.61424E-02 ppm1 7.859 ppm2 3.860 CV 1 OR { 802} (( segid A and resid 119 and name HN )) (( segid A and resid 119 and name HA1 )) ASSI { 803} (( segid A and resid 18 and name HN )) (( segid A and resid 18 and name HB2 )) 3.100 1.200 1.200 peak 803 spectrum 1 weight 0.10000E+01 volume 0.19985E-02 ppm1 9.030 ppm2 3.863 CV 1 OR { 803} (( segid B and resid 18 and name HN )) (( segid B and resid 18 and name HB2 )) ASSI { 804} (( segid B and resid 120 and name HN )) (( segid B and resid 119 and name HA1 )) 3.000 1.200 1.200 peak 804 spectrum 1 weight 0.10000E+01 volume 0.31554E-02 ppm1 7.719 ppm2 3.864 CV 1 OR { 804} (( segid A and resid 120 and name HN )) (( segid A and resid 119 and name HA1 )) ASSI { 805} (( segid A and resid 19 and name HN )) (( segid A and resid 18 and name HB2 )) 4.300 2.300 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.46787E-03 ppm1 9.416 ppm2 3.870 CV 1 OR { 805} (( segid B and resid 19 and name HN )) (( segid B and resid 18 and name HB2 )) ASSI { 811} (( segid B and resid 123 and name HN )) (( segid B and resid 123 and name HB2 )) 2.800 1.000 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.33146E-02 ppm1 8.297 ppm2 3.902 CV 1 OR { 811} (( segid A and resid 123 and name HN )) (( segid A and resid 123 and name HB2 )) OR { 811} (( segid B and resid 123 and name HN )) (( segid B and resid 123 and name HB1 )) OR { 811} (( segid A and resid 123 and name HN )) (( segid A and resid 123 and name HB1 )) ASSI { 813} (( segid B and resid 124 and name HN )) (( segid B and resid 123 and name HB1 )) 3.500 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.91134E-03 ppm1 8.347 ppm2 3.911 CV 1 OR { 813} (( segid A and resid 124 and name HN )) (( segid A and resid 123 and name HB1 )) OR { 813} (( segid B and resid 124 and name HN )) (( segid B and resid 123 and name HB2 )) OR { 813} (( segid A and resid 124 and name HN )) (( segid A and resid 123 and name HB2 )) ASSI { 814} (( segid A and resid 115 and name HN )) (( segid A and resid 115 and name HB2 )) 3.100 1.200 1.200 peak 814 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 7.873 ppm2 3.913 CV 1 OR { 814} (( segid B and resid 115 and name HN )) (( segid B and resid 115 and name HB2 )) OR { 814} (( segid B and resid 115 and name HN )) (( segid B and resid 115 and name HB1 )) OR { 814} (( segid A and resid 115 and name HN )) (( segid A and resid 115 and name HB1 )) ASSI { 815} (( segid A and resid 116 and name HN )) (( segid A and resid 115 and name HB2 )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.14130E-02 ppm1 8.052 ppm2 3.915 CV 1 OR { 815} (( segid B and resid 116 and name HN )) (( segid B and resid 115 and name HB2 )) OR { 815} (( segid A and resid 116 and name HN )) (( segid A and resid 115 and name HB1 )) OR { 815} (( segid B and resid 116 and name HN )) (( segid B and resid 115 and name HB1 )) ASSI { 816} (( segid B and resid 118 and name HN )) (( segid B and resid 115 and name HB1 )) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 7.525 ppm2 3.920 CV 1 OR { 816} (( segid A and resid 118 and name HN )) (( segid A and resid 115 and name HB1 )) OR { 816} (( segid B and resid 118 and name HN )) (( segid B and resid 115 and name HB2 )) OR { 816} (( segid A and resid 118 and name HN )) (( segid A and resid 115 and name HB2 )) ASSI { 818} (( segid A and resid 15 and name HN )) (( segid A and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.29952E-02 ppm1 8.338 ppm2 3.929 CV 1 OR { 818} (( segid B and resid 15 and name HN )) (( segid B and resid 14 and name HB1 )) ASSI { 819} (( segid B and resid 14 and name HN )) (( segid B and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 819 spectrum 1 weight 0.10000E+01 volume 0.22376E-02 ppm1 8.191 ppm2 3.930 CV 1 OR { 819} (( segid A and resid 14 and name HN )) (( segid A and resid 14 and name HB1 )) ASSI { 823} (( segid A and resid 88 and name HN )) (( segid A and resid 86 and name HB1 )) 3.700 1.700 1.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.86845E-03 ppm1 7.932 ppm2 3.942 CV 1 OR { 823} (( segid B and resid 88 and name HN )) (( segid B and resid 86 and name HB1 )) ASSI { 824} (( segid A and resid 86 and name HN )) (( segid A and resid 86 and name HB1 )) 3.200 1.300 1.300 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11764E-02 ppm1 9.313 ppm2 3.943 CV 1 OR { 824} (( segid B and resid 86 and name HN )) (( segid B and resid 86 and name HB1 )) ASSI { 825} (( segid A and resid 87 and name HN )) (( segid A and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.31724E-02 ppm1 8.925 ppm2 3.943 CV 1 OR { 825} (( segid B and resid 87 and name HN )) (( segid B and resid 86 and name HB1 )) ASSI { 826} (( segid B and resid 117 and name HN )) (( segid B and resid 117 and name HB2 )) 3.000 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.28615E-02 ppm1 8.019 ppm2 3.949 CV 1 OR { 826} (( segid A and resid 117 and name HN )) (( segid A and resid 117 and name HB2 )) OR { 826} (( segid B and resid 117 and name HN )) (( segid B and resid 117 and name HB1 )) OR { 826} (( segid A and resid 117 and name HN )) (( segid A and resid 117 and name HB1 )) ASSI { 828} (( segid B and resid 99 and name HN )) (( segid B and resid 99 and name HA )) 2.700 0.900 0.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.25807E-02 ppm1 8.511 ppm2 3.955 CV 1 OR { 828} (( segid A and resid 99 and name HN )) (( segid A and resid 99 and name HA )) ASSI { 829} (( segid B and resid 101 and name HN )) (( segid B and resid 99 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.10000E+01 volume 0.67987E-03 ppm1 9.570 ppm2 3.959 CV 1 OR { 829} (( segid A and resid 101 and name HN )) (( segid A and resid 99 and name HA )) ASSI { 832} (( segid B and resid 95 and name HN )) (( segid B and resid 95 and name HB2 )) 2.400 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.88155E-02 ppm1 8.771 ppm2 3.965 CV 1 OR { 832} (( segid A and resid 95 and name HN )) (( segid A and resid 95 and name HB2 )) OR { 832} (( segid A and resid 95 and name HN )) (( segid A and resid 95 and name HB1 )) OR { 832} (( segid B and resid 95 and name HN )) (( segid B and resid 95 and name HB1 )) ASSI { 833} (( segid A and resid 118 and name HN )) (( segid A and resid 117 and name HB2 )) 3.400 1.400 1.400 peak 833 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 7.526 ppm2 3.966 CV 1 OR { 833} (( segid B and resid 118 and name HN )) (( segid B and resid 117 and name HB2 )) OR { 833} (( segid B and resid 118 and name HN )) (( segid B and resid 117 and name HB1 )) OR { 833} (( segid A and resid 118 and name HN )) (( segid A and resid 117 and name HB1 )) ASSI { 841} (( segid A and resid 77 and name HN )) (( segid A and resid 74 and name HA )) 2.400 2.400 3.600 peak 841 spectrum 1 weight 0.10000E+01 volume 0.68777E-02 ppm1 7.879 ppm2 3.980 CV 1 OR { 841} (( segid B and resid 77 and name HN )) (( segid B and resid 74 and name HA )) ASSI { 842} (( segid A and resid 78 and name HN )) (( segid A and resid 74 and name HA )) 3.000 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 7.158 ppm2 3.981 CV 1 OR { 842} (( segid B and resid 78 and name HN )) (( segid B and resid 74 and name HA )) ASSI { 843} (( segid B and resid 15 and name HN )) (( segid B and resid 14 and name HB2 )) 2.900 1.000 1.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.31366E-02 ppm1 8.338 ppm2 3.983 CV 1 OR { 843} (( segid A and resid 15 and name HN )) (( segid A and resid 14 and name HB2 )) ASSI { 844} (( segid A and resid 17 and name HN )) (( segid A and resid 67 and name HA2 )) 3.700 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.75268E-03 ppm1 9.121 ppm2 3.984 CV 1 OR { 844} (( segid B and resid 17 and name HN )) (( segid B and resid 67 and name HA2 )) ASSI { 845} (( segid B and resid 67 and name HN )) (( segid B and resid 67 and name HA2 )) 3.000 1.100 1.100 peak 845 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 8.588 ppm2 3.985 CV 1 OR { 845} (( segid A and resid 67 and name HN )) (( segid A and resid 67 and name HA2 )) ASSI { 846} (( segid A and resid 14 and name HN )) (( segid A and resid 14 and name HB2 )) 3.100 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.24875E-02 ppm1 8.193 ppm2 3.985 CV 1 OR { 846} (( segid B and resid 14 and name HN )) (( segid B and resid 14 and name HB2 )) ASSI { 847} (( segid B and resid 68 and name HN )) (( segid B and resid 67 and name HA2 )) 2.600 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.35418E-02 ppm1 9.457 ppm2 3.986 CV 1 OR { 847} (( segid A and resid 68 and name HN )) (( segid A and resid 67 and name HA2 )) ASSI { 849} (( segid A and resid 51 and name HN )) (( segid A and resid 67 and name HA2 )) 3.800 1.800 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.60317E-03 ppm1 8.784 ppm2 3.990 CV 1 OR { 849} (( segid B and resid 51 and name HN )) (( segid B and resid 67 and name HA2 )) ASSI { 850} (( segid B and resid 35 and name HN )) (( segid B and resid 31 and name HA )) 2.900 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.10882E-02 ppm1 8.602 ppm2 3.996 CV 1 OR { 850} (( segid A and resid 35 and name HN )) (( segid A and resid 31 and name HA )) ASSI { 851} (( segid A and resid 120 and name HN )) (( segid A and resid 119 and name HA2 )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.25720E-02 ppm1 7.719 ppm2 3.998 CV 1 OR { 851} (( segid B and resid 120 and name HN )) (( segid B and resid 119 and name HA2 )) ASSI { 852} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HA )) 3.600 1.700 1.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.84434E-03 ppm1 6.851 ppm2 3.999 CV 1 OR { 852} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HA )) ASSI { 853} (( segid A and resid 32 and name HN )) (( segid A and resid 32 and name HA )) 2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.43364E-02 ppm1 8.203 ppm2 4.000 CV 1 OR { 853} (( segid B and resid 32 and name HN )) (( segid B and resid 32 and name HA )) ASSI { 854} (( segid A and resid 36 and name HN )) (( segid A and resid 32 and name HA )) 2.800 2.800 3.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.13290E-02 ppm1 8.582 ppm2 4.000 CV 1 OR { 854} (( segid B and resid 36 and name HN )) (( segid B and resid 32 and name HA )) ASSI { 855} (( segid A and resid 48 and name HN )) (( segid A and resid 49 and name HA )) 4.000 2.000 2.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.17088E-02 ppm1 8.170 ppm2 4.001 CV 1 OR { 855} (( segid B and resid 48 and name HN )) (( segid B and resid 49 and name HA )) ASSI { 856} (( segid B and resid 49 and name HN )) (( segid B and resid 49 and name HA )) 2.000 0.500 0.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20183E-01 ppm1 7.550 ppm2 4.001 CV 1 OR { 856} (( segid A and resid 49 and name HN )) (( segid A and resid 49 and name HA )) ASSI { 857} (( segid A and resid 119 and name HN )) (( segid A and resid 119 and name HA2 )) 2.600 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.46010E-02 ppm1 7.858 ppm2 4.002 CV 1 OR { 857} (( segid B and resid 119 and name HN )) (( segid B and resid 119 and name HA2 )) ASSI { 858} (( segid A and resid 50 and name HN )) (( segid A and resid 49 and name HA )) 2.600 0.800 0.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.47272E-02 ppm1 8.997 ppm2 4.002 CV 1 OR { 858} (( segid B and resid 50 and name HN )) (( segid B and resid 49 and name HA )) ASSI { 859} (( segid A and resid 76 and name HN )) (( segid A and resid 73 and name HA )) 3.000 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.18964E-02 ppm1 8.499 ppm2 4.012 CV 1 OR { 859} (( segid B and resid 76 and name HN )) (( segid B and resid 73 and name HA )) ASSI { 860} (( segid B and resid 73 and name HN )) (( segid B and resid 73 and name HA )) 2.300 0.700 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.86695E-02 ppm1 8.260 ppm2 4.014 CV 1 OR { 860} (( segid A and resid 73 and name HN )) (( segid A and resid 73 and name HA )) ASSI { 861} (( segid B and resid 72 and name HN )) (( segid B and resid 73 and name HA )) 4.000 2.000 2.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.11061E-02 ppm1 8.355 ppm2 4.021 CV 1 OR { 861} (( segid A and resid 72 and name HN )) (( segid A and resid 73 and name HA )) ASSI { 864} (( segid A and resid 37 and name HN )) (( segid A and resid 34 and name HA )) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.19213E-02 ppm1 7.895 ppm2 4.023 CV 1 OR { 864} (( segid B and resid 37 and name HN )) (( segid B and resid 34 and name HA )) ASSI { 866} (( segid A and resid 31 and name HN )) (( segid A and resid 31 and name HA )) 3.100 1.200 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 8.856 ppm2 4.028 CV 1 OR { 866} (( segid B and resid 31 and name HN )) (( segid B and resid 31 and name HA )) ASSI { 867} (( segid B and resid 35 and name HN )) (( segid B and resid 34 and name HA )) 3.200 1.200 1.200 peak 867 spectrum 1 weight 0.10000E+01 volume 0.14952E-02 ppm1 8.602 ppm2 4.032 CV 1 OR { 867} (( segid A and resid 35 and name HN )) (( segid A and resid 34 and name HA )) ASSI { 868} (( segid A and resid 114 and name HN )) (( segid A and resid 113 and name HA )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.58072E-02 ppm1 7.790 ppm2 4.036 CV 1 OR { 868} (( segid B and resid 114 and name HN )) (( segid B and resid 113 and name HA )) ASSI { 869} (( segid A and resid 36 and name HN )) (( segid A and resid 35 and name HA )) 3.400 1.400 1.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 8.581 ppm2 4.039 CV 1 OR { 869} (( segid B and resid 36 and name HN )) (( segid B and resid 35 and name HA )) ASSI { 870} (( segid A and resid 38 and name HN )) (( segid A and resid 34 and name HA )) 3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 8.446 ppm2 4.039 CV 1 OR { 870} (( segid B and resid 38 and name HN )) (( segid B and resid 34 and name HA )) ASSI { 871} (( segid B and resid 113 and name HN )) (( segid B and resid 113 and name HA )) 2.800 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.28941E-02 ppm1 8.158 ppm2 4.039 CV 1 OR { 871} (( segid A and resid 113 and name HN )) (( segid A and resid 113 and name HA )) ASSI { 872} (( segid B and resid 39 and name HN )) (( segid B and resid 39 and name HA )) 3.500 1.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.80228E-03 ppm1 8.800 ppm2 4.042 CV 1 OR { 872} (( segid A and resid 39 and name HN )) (( segid A and resid 39 and name HA )) ASSI { 874} (( segid B and resid 116 and name HN )) (( segid B and resid 113 and name HA )) 3.200 1.300 1.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 8.060 ppm2 4.047 CV 1 OR { 874} (( segid A and resid 116 and name HN )) (( segid A and resid 113 and name HA )) ASSI { 875} (( segid A and resid 115 and name HN )) (( segid A and resid 113 and name HA )) 3.400 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 7.844 ppm2 4.048 CV 1 OR { 875} (( segid B and resid 115 and name HN )) (( segid B and resid 113 and name HA )) ASSI { 877} (( segid A and resid 90 and name HN )) (( segid A and resid 90 and name HA )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.24988E-02 ppm1 8.728 ppm2 4.053 CV 1 OR { 877} (( segid B and resid 90 and name HN )) (( segid B and resid 90 and name HA )) ASSI { 878} (( segid A and resid 22 and name HN )) (( segid A and resid 90 and name HA )) 3.900 1.900 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 8.693 ppm2 4.053 CV 1 OR { 878} (( segid B and resid 22 and name HN )) (( segid B and resid 90 and name HA )) ASSI { 879} (( segid B and resid 92 and name HN )) (( segid B and resid 90 and name HA )) 3.300 1.300 1.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 7.733 ppm2 4.054 CV 1 OR { 879} (( segid A and resid 92 and name HN )) (( segid A and resid 90 and name HA )) ASSI { 882} (( segid B and resid 104 and name HN )) (( segid B and resid 103 and name HA1 )) 2.800 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.67060E-02 ppm1 8.442 ppm2 4.062 CV 1 OR { 882} (( segid A and resid 104 and name HN )) (( segid A and resid 103 and name HA1 )) ASSI { 885} (( segid B and resid 103 and name HN )) (( segid B and resid 103 and name HA1 )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.29288E-02 ppm1 8.079 ppm2 4.068 CV 1 OR { 885} (( segid A and resid 103 and name HN )) (( segid A and resid 103 and name HA1 )) ASSI { 886} (( segid B and resid 86 and name HN )) (( segid B and resid 86 and name HB2 )) 3.400 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.74562E-03 ppm1 9.303 ppm2 4.070 CV 1 OR { 886} (( segid A and resid 86 and name HN )) (( segid A and resid 86 and name HB2 )) ASSI { 887} (( segid A and resid 87 and name HN )) (( segid A and resid 86 and name HB2 )) 3.000 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.47599E-02 ppm1 8.924 ppm2 4.075 CV 1 OR { 887} (( segid B and resid 87 and name HN )) (( segid B and resid 86 and name HB2 )) ASSI { 888} (( segid A and resid 88 and name HN )) (( segid A and resid 86 and name HB2 )) 2.800 2.800 3.200 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12555E-02 ppm1 7.935 ppm2 4.076 CV 1 OR { 888} (( segid B and resid 88 and name HN )) (( segid B and resid 86 and name HB2 )) ASSI { 889} (( segid B and resid 61 and name HN )) (( segid B and resid 86 and name HB2 )) 4.000 2.000 2.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.77512E-03 ppm1 8.749 ppm2 4.082 CV 1 OR { 889} (( segid A and resid 61 and name HN )) (( segid A and resid 86 and name HB2 )) ASSI { 895} (( segid B and resid 73 and name HN )) (( segid B and resid 69 and name HA )) 3.000 1.100 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.23307E-02 ppm1 8.259 ppm2 4.113 CV 1 OR { 895} (( segid A and resid 73 and name HN )) (( segid A and resid 69 and name HA )) ASSI { 897} (( segid B and resid 71 and name HN )) (( segid B and resid 69 and name HA )) 3.600 1.600 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10831E-02 ppm1 7.415 ppm2 4.117 CV 1 OR { 897} (( segid A and resid 71 and name HN )) (( segid A and resid 69 and name HA )) ASSI { 900} (( segid A and resid 119 and name HN )) (( segid A and resid 116 and name HA )) 3.400 1.400 1.400 peak 900 spectrum 1 weight 0.10000E+01 volume 0.12860E-02 ppm1 7.858 ppm2 4.122 CV 1 OR { 900} (( segid B and resid 119 and name HN )) (( segid B and resid 116 and name HA )) ASSI { 901} (( segid A and resid 14 and name HN )) (( segid A and resid 13 and name HA2 )) 2.600 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.43769E-02 ppm1 8.192 ppm2 4.123 CV 1 OR { 901} (( segid B and resid 14 and name HN )) (( segid B and resid 13 and name HA2 )) OR { 901} (( segid B and resid 14 and name HN )) (( segid B and resid 13 and name HA1 )) OR { 901} (( segid A and resid 14 and name HN )) (( segid A and resid 13 and name HA1 )) ASSI { 903} (( segid B and resid 13 and name HN )) (( segid B and resid 13 and name HA2 )) 2.600 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.52968E-02 ppm1 8.427 ppm2 4.125 CV 1 OR { 903} (( segid A and resid 13 and name HN )) (( segid A and resid 13 and name HA2 )) OR { 903} (( segid B and resid 13 and name HN )) (( segid B and resid 13 and name HA1 )) OR { 903} (( segid A and resid 13 and name HN )) (( segid A and resid 13 and name HA1 )) ASSI { 904} (( segid B and resid 120 and name HN )) (( segid B and resid 116 and name HA )) 3.100 1.200 1.200 peak 904 spectrum 1 weight 0.10000E+01 volume 0.16934E-02 ppm1 7.721 ppm2 4.126 CV 1 OR { 904} (( segid A and resid 120 and name HN )) (( segid A and resid 116 and name HA )) ASSI { 905} (( segid B and resid 116 and name HN )) (( segid B and resid 116 and name HA )) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.35304E-02 ppm1 8.052 ppm2 4.127 CV 1 OR { 905} (( segid A and resid 116 and name HN )) (( segid A and resid 116 and name HA )) ASSI { 907} (( segid B and resid 101 and name HN )) (( segid B and resid 100 and name HA )) 3.500 1.600 1.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.70668E-03 ppm1 9.594 ppm2 4.132 CV 1 OR { 907} (( segid A and resid 101 and name HN )) (( segid A and resid 100 and name HA )) ASSI { 908} (( segid A and resid 117 and name HN )) (( segid A and resid 116 and name HA )) 3.200 1.300 1.300 peak 908 spectrum 1 weight 0.10000E+01 volume 0.13155E-02 ppm1 8.018 ppm2 4.132 CV 1 OR { 908} (( segid B and resid 117 and name HN )) (( segid B and resid 116 and name HA )) ASSI { 916} (( segid A and resid 47 and name HN )) (( segid A and resid 47 and name HA )) 2.200 0.600 0.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.12131E-01 ppm1 7.173 ppm2 4.151 CV 1 OR { 916} (( segid B and resid 47 and name HN )) (( segid B and resid 47 and name HA )) ASSI { 919} (( segid B and resid 49 and name HN )) (( segid B and resid 47 and name HA )) 2.900 1.100 1.100 peak 919 spectrum 1 weight 0.10000E+01 volume 0.25325E-02 ppm1 7.549 ppm2 4.152 CV 1 OR { 919} (( segid A and resid 49 and name HN )) (( segid A and resid 47 and name HA )) ASSI { 920} (( segid A and resid 48 and name HN )) (( segid A and resid 45 and name HA )) 2.700 0.900 0.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.36161E-02 ppm1 8.166 ppm2 4.156 CV 1 OR { 920} (( segid B and resid 48 and name HN )) (( segid B and resid 45 and name HA )) ASSI { 925} (( segid A and resid 50 and name HN )) (( segid A and resid 47 and name HA )) 2.600 2.600 3.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.20230E-02 ppm1 8.998 ppm2 4.169 CV 1 OR { 925} (( segid B and resid 50 and name HN )) (( segid B and resid 47 and name HA )) ASSI { 928} (( segid B and resid 54 and name HN )) (( segid B and resid 53 and name HA )) 3.000 1.100 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.15795E-02 ppm1 7.772 ppm2 4.178 CV 1 OR { 928} (( segid A and resid 54 and name HN )) (( segid A and resid 53 and name HA )) ASSI { 930} (( segid A and resid 105 and name HN )) (( segid A and resid 53 and name HA )) 2.900 1.100 1.100 peak 930 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 6.318 ppm2 4.180 CV 1 OR { 930} (( segid B and resid 105 and name HN )) (( segid B and resid 53 and name HA )) ASSI { 931} (( segid B and resid 118 and name HN )) (( segid B and resid 118 and name HA )) 2.600 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.38749E-02 ppm1 7.526 ppm2 4.186 CV 1 OR { 931} (( segid A and resid 118 and name HN )) (( segid A and resid 118 and name HA )) ASSI { 932} (( segid B and resid 119 and name HN )) (( segid B and resid 118 and name HA )) 2.800 1.000 1.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.28734E-02 ppm1 7.857 ppm2 4.187 CV 1 OR { 932} (( segid A and resid 119 and name HN )) (( segid A and resid 118 and name HA )) ASSI { 933} (( segid A and resid 87 and name HD22)) (( segid A and resid 87 and name HA )) 3.700 1.700 1.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 7.366 ppm2 4.192 CV 1 OR { 933} (( segid B and resid 87 and name HD22)) (( segid B and resid 87 and name HA )) ASSI { 934} (( segid B and resid 87 and name HN )) (( segid B and resid 87 and name HA )) 2.200 0.600 0.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.11300E-01 ppm1 8.924 ppm2 4.194 CV 1 OR { 934} (( segid A and resid 87 and name HN )) (( segid A and resid 87 and name HA )) ASSI { 936} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HA )) 2.300 0.700 0.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.13358E-01 ppm1 7.933 ppm2 4.197 CV 1 OR { 936} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HA )) ASSI { 937} (( segid B and resid 87 and name HD21)) (( segid B and resid 87 and name HA )) 3.400 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 6.917 ppm2 4.197 CV 1 OR { 937} (( segid A and resid 87 and name HD21)) (( segid A and resid 87 and name HA )) ASSI { 938} (( segid B and resid 47 and name HN )) (( segid B and resid 44 and name HA )) 2.600 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.39563E-02 ppm1 7.174 ppm2 4.209 CV 1 OR { 938} (( segid A and resid 47 and name HN )) (( segid A and resid 44 and name HA )) ASSI { 939} (( segid B and resid 84 and name HN )) (( segid B and resid 84 and name HA )) 3.100 1.200 1.200 peak 939 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 9.611 ppm2 4.210 CV 1 OR { 939} (( segid A and resid 84 and name HN )) (( segid A and resid 84 and name HA )) ASSI { 940} (( segid B and resid 85 and name HN )) (( segid B and resid 84 and name HA )) 2.700 0.900 0.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.37730E-02 ppm1 8.306 ppm2 4.211 CV 1 OR { 940} (( segid A and resid 85 and name HN )) (( segid A and resid 84 and name HA )) ASSI { 941} (( segid A and resid 44 and name HN )) (( segid A and resid 44 and name HA )) 2.900 1.100 1.100 peak 941 spectrum 1 weight 0.10000E+01 volume 0.22792E-02 ppm1 8.213 ppm2 4.213 CV 1 OR { 941} (( segid B and resid 44 and name HN )) (( segid B and resid 44 and name HA )) ASSI { 942} (( segid A and resid 125 and name HN )) (( segid A and resid 125 and name HA )) 2.400 0.700 0.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.68915E-02 ppm1 7.991 ppm2 4.214 CV 1 OR { 942} (( segid B and resid 125 and name HN )) (( segid B and resid 125 and name HA )) ASSI { 946} (( segid A and resid 9 and name HN )) (( segid A and resid 9 and name HA )) 2.000 0.500 0.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.19924E-01 ppm1 8.113 ppm2 4.254 CV 1 OR { 946} (( segid B and resid 9 and name HN )) (( segid B and resid 9 and name HA )) ASSI { 947} (( segid A and resid 10 and name HN )) (( segid A and resid 9 and name HA )) 3.100 0.400 0.400 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34490E-01 ppm1 8.314 ppm2 4.256 CV 1 OR { 947} (( segid B and resid 10 and name HN )) (( segid B and resid 9 and name HA )) ASSI { 948} (( segid B and resid 47 and name HN )) (( segid B and resid 43 and name HA )) 3.000 1.200 1.200 peak 948 spectrum 1 weight 0.10000E+01 volume 0.17526E-02 ppm1 7.176 ppm2 4.259 CV 1 OR { 948} (( segid A and resid 47 and name HN )) (( segid A and resid 43 and name HA )) ASSI { 949} (( segid A and resid 46 and name HN )) (( segid A and resid 43 and name HA )) 3.200 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.13142E-02 ppm1 7.285 ppm2 4.264 CV 1 OR { 949} (( segid B and resid 46 and name HN )) (( segid B and resid 43 and name HA )) ASSI { 951} (( segid B and resid 43 and name HN )) (( segid B and resid 43 and name HA )) 2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.30309E-02 ppm1 6.933 ppm2 4.272 CV 1 OR { 951} (( segid A and resid 43 and name HN )) (( segid A and resid 43 and name HA )) ASSI { 952} (( segid A and resid 78 and name HN )) (( segid A and resid 78 and name HA )) 3.100 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 7.159 ppm2 4.284 CV 1 OR { 952} (( segid B and resid 78 and name HN )) (( segid B and resid 78 and name HA )) ASSI { 954} (( segid B and resid 59 and name HN )) (( segid B and resid 59 and name HA2 )) 2.900 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 6.499 ppm2 4.288 CV 1 OR { 954} (( segid A and resid 59 and name HN )) (( segid A and resid 59 and name HA2 )) ASSI { 956} (( segid B and resid 104 and name HN )) (( segid B and resid 103 and name HA2 )) 2.400 0.700 0.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.59370E-02 ppm1 8.441 ppm2 4.301 CV 1 OR { 956} (( segid A and resid 104 and name HN )) (( segid A and resid 103 and name HA2 )) ASSI { 957} (( segid A and resid 103 and name HN )) (( segid A and resid 103 and name HA2 )) 2.900 1.100 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.33535E-02 ppm1 8.078 ppm2 4.301 CV 1 OR { 957} (( segid B and resid 103 and name HN )) (( segid B and resid 103 and name HA2 )) ASSI { 958} (( segid B and resid 119 and name HN )) (( segid B and resid 117 and name HA )) 3.500 1.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 7.860 ppm2 4.305 CV 1 OR { 958} (( segid A and resid 119 and name HN )) (( segid A and resid 117 and name HA )) ASSI { 959} (( segid B and resid 117 and name HN )) (( segid B and resid 117 and name HA )) 2.800 1.000 1.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.27444E-02 ppm1 8.020 ppm2 4.306 CV 1 OR { 959} (( segid A and resid 117 and name HN )) (( segid A and resid 117 and name HA )) ASSI { 960} (( segid B and resid 118 and name HN )) (( segid B and resid 117 and name HA )) 3.000 1.100 1.100 peak 960 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 7.526 ppm2 4.307 CV 1 OR { 960} (( segid A and resid 118 and name HN )) (( segid A and resid 117 and name HA )) ASSI { 961} (( segid B and resid 6 and name HN )) (( segid B and resid 6 and name HA )) 2.200 0.600 0.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.10954E-01 ppm1 8.159 ppm2 4.309 CV 1 OR { 961} (( segid A and resid 6 and name HN )) (( segid A and resid 6 and name HA )) ASSI { 962} (( segid B and resid 7 and name HN )) (( segid B and resid 6 and name HA )) 1.800 0.400 0.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.32905E-01 ppm1 8.126 ppm2 4.313 CV 1 OR { 962} (( segid A and resid 7 and name HN )) (( segid A and resid 6 and name HA )) ASSI { 963} (( segid A and resid 122 and name HN )) (( segid A and resid 121 and name HA )) 2.100 0.500 0.500 peak 963 spectrum 1 weight 0.10000E+01 volume 0.17097E-01 ppm1 8.330 ppm2 4.321 CV 1 OR { 963} (( segid B and resid 122 and name HN )) (( segid B and resid 121 and name HA )) ASSI { 965} (( segid B and resid 71 and name HN )) (( segid B and resid 70 and name HA )) 2.900 1.100 1.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.35361E-02 ppm1 7.413 ppm2 4.325 CV 1 OR { 965} (( segid A and resid 71 and name HN )) (( segid A and resid 70 and name HA )) ASSI { 966} (( segid B and resid 73 and name HN )) (( segid B and resid 70 and name HA )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.37486E-02 ppm1 8.260 ppm2 4.326 CV 1 OR { 966} (( segid A and resid 73 and name HN )) (( segid A and resid 70 and name HA )) ASSI { 967} (( segid B and resid 72 and name HN )) (( segid B and resid 70 and name HA )) 3.600 1.600 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.88065E-03 ppm1 8.355 ppm2 4.328 CV 1 OR { 967} (( segid A and resid 72 and name HN )) (( segid A and resid 70 and name HA )) ASSI { 971} (( segid B and resid 46 and name HN )) (( segid B and resid 46 and name HA )) 2.500 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.59102E-02 ppm1 7.284 ppm2 4.336 CV 1 OR { 971} (( segid A and resid 46 and name HN )) (( segid A and resid 46 and name HA )) ASSI { 972} (( segid B and resid 47 and name HN )) (( segid B and resid 46 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 7.174 ppm2 4.340 CV 1 OR { 972} (( segid A and resid 47 and name HN )) (( segid A and resid 46 and name HA )) ASSI { 973} (( segid B and resid 50 and name HN )) (( segid B and resid 48 and name HA )) 3.700 1.700 1.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 8.996 ppm2 4.344 CV 1 OR { 973} (( segid A and resid 50 and name HN )) (( segid A and resid 48 and name HA )) ASSI { 974} (( segid B and resid 13 and name HN )) (( segid B and resid 12 and name HB )) 3.200 1.300 1.300 peak 974 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 8.429 ppm2 4.344 CV 1 OR { 974} (( segid A and resid 13 and name HN )) (( segid A and resid 12 and name HB )) ASSI { 975} (( segid A and resid 8 and name HN )) (( segid A and resid 7 and name HA )) 1.800 0.400 0.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.35223E-01 ppm1 8.267 ppm2 4.346 CV 1 OR { 975} (( segid B and resid 8 and name HN )) (( segid B and resid 7 and name HA )) ASSI { 976} (( segid B and resid 77 and name HN )) (( segid B and resid 76 and name HA )) 3.200 1.300 1.300 peak 976 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 7.878 ppm2 4.346 CV 1 OR { 976} (( segid A and resid 77 and name HN )) (( segid A and resid 76 and name HA )) ASSI { 977} (( segid B and resid 121 and name HN )) (( segid B and resid 121 and name HA )) 2.200 0.600 0.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.14043E-01 ppm1 8.060 ppm2 4.348 CV 1 OR { 977} (( segid A and resid 121 and name HN )) (( segid A and resid 121 and name HA )) ASSI { 978} (( segid B and resid 120 and name HN )) (( segid B and resid 120 and name HA )) 2.500 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.54506E-02 ppm1 7.720 ppm2 4.348 CV 1 OR { 978} (( segid A and resid 120 and name HN )) (( segid A and resid 120 and name HA )) ASSI { 979} (( segid B and resid 79 and name HN )) (( segid B and resid 76 and name HA )) 3.200 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 8.566 ppm2 4.351 CV 1 OR { 979} (( segid A and resid 79 and name HN )) (( segid A and resid 76 and name HA )) ASSI { 982} (( segid B and resid 49 and name HE21)) (( segid B and resid 48 and name HA )) 3.400 1.400 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.64852E-03 ppm1 6.852 ppm2 4.354 CV 1 OR { 982} (( segid A and resid 49 and name HE21)) (( segid A and resid 48 and name HA )) ASSI { 983} (( segid A and resid 76 and name HN )) (( segid A and resid 76 and name HA )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.20080E-02 ppm1 8.499 ppm2 4.355 CV 1 OR { 983} (( segid B and resid 76 and name HN )) (( segid B and resid 76 and name HA )) ASSI { 985} (( segid A and resid 10 and name HN )) (( segid A and resid 10 and name HA )) 2.100 0.600 0.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.15746E-01 ppm1 8.312 ppm2 4.360 CV 1 OR { 985} (( segid B and resid 10 and name HN )) (( segid B and resid 10 and name HA )) ASSI { 987} (( segid A and resid 11 and name HN )) (( segid A and resid 10 and name HA )) 2.300 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.93994E-02 ppm1 8.311 ppm2 4.365 CV 1 OR { 987} (( segid B and resid 11 and name HN )) (( segid B and resid 10 and name HA )) ASSI { 988} (( segid A and resid 49 and name HN )) (( segid A and resid 48 and name HA )) 2.600 0.800 0.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.56536E-02 ppm1 7.551 ppm2 4.367 CV 1 OR { 988} (( segid B and resid 49 and name HN )) (( segid B and resid 48 and name HA )) ASSI { 990} (( segid B and resid 6 and name HN )) (( segid B and resid 5 and name HA )) 2.000 0.500 0.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.20150E-01 ppm1 8.162 ppm2 4.369 CV 1 OR { 990} (( segid A and resid 6 and name HN )) (( segid A and resid 5 and name HA )) ASSI { 991} (( segid A and resid 117 and name HN )) (( segid A and resid 115 and name HA )) 3.400 1.400 1.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 8.021 ppm2 4.374 CV 1 OR { 991} (( segid B and resid 117 and name HN )) (( segid B and resid 115 and name HA )) ASSI { 992} (( segid B and resid 48 and name HN )) (( segid B and resid 48 and name HA )) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.57989E-02 ppm1 8.167 ppm2 4.377 CV 1 OR { 992} (( segid A and resid 48 and name HN )) (( segid A and resid 48 and name HA )) ASSI { 993} (( segid B and resid 115 and name HN )) (( segid B and resid 115 and name HA )) 3.000 1.100 1.100 peak 993 spectrum 1 weight 0.10000E+01 volume 0.18428E-02 ppm1 7.876 ppm2 4.377 CV 1 OR { 993} (( segid A and resid 115 and name HN )) (( segid A and resid 115 and name HA )) ASSI { 994} (( segid A and resid 114 and name HN )) (( segid A and resid 114 and name HA )) 2.500 0.800 0.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.55203E-02 ppm1 7.791 ppm2 4.379 CV 1 OR { 994} (( segid B and resid 114 and name HN )) (( segid B and resid 114 and name HA )) ASSI { 995} (( segid A and resid 29 and name HN )) (( segid A and resid 29 and name HA )) 2.500 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.51439E-02 ppm1 7.129 ppm2 4.384 CV 1 OR { 995} (( segid B and resid 29 and name HN )) (( segid B and resid 29 and name HA )) ASSI { 1001} (( segid A and resid 73 and name HN )) (( segid A and resid 71 and name HA )) 3.300 1.400 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 8.259 ppm2 4.409 CV 1 OR { 1001} (( segid B and resid 73 and name HN )) (( segid B and resid 71 and name HA )) ASSI { 1002} (( segid A and resid 74 and name HN )) (( segid A and resid 71 and name HA )) 2.700 0.900 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.33719E-02 ppm1 7.742 ppm2 4.415 CV 1 OR { 1002} (( segid B and resid 74 and name HN )) (( segid B and resid 71 and name HA )) ASSI { 1003} (( segid A and resid 99 and name HN )) (( segid A and resid 98 and name HA )) 2.100 0.500 0.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.15652E-01 ppm1 8.510 ppm2 4.415 CV 1 OR { 1003} (( segid B and resid 99 and name HN )) (( segid B and resid 98 and name HA )) ASSI { 1007} (( segid A and resid 71 and name HN )) (( segid A and resid 71 and name HA )) 2.400 0.700 0.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.70871E-02 ppm1 7.413 ppm2 4.421 CV 1 OR { 1007} (( segid B and resid 71 and name HN )) (( segid B and resid 71 and name HA )) ASSI { 1008} (( segid A and resid 75 and name HN )) (( segid A and resid 71 and name HA )) 3.700 1.700 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.62154E-03 ppm1 7.660 ppm2 4.423 CV 1 OR { 1008} (( segid B and resid 75 and name HN )) (( segid B and resid 71 and name HA )) ASSI { 1009} (( segid B and resid 98 and name HN )) (( segid B and resid 97 and name HA )) 2.100 0.600 0.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.10671E-01 ppm1 7.370 ppm2 4.427 CV 1 OR { 1009} (( segid A and resid 98 and name HN )) (( segid A and resid 97 and name HA )) ASSI { 1010} (( segid B and resid 39 and name HN )) (( segid B and resid 36 and name HA )) 3.700 1.700 1.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.56097E-03 ppm1 8.794 ppm2 4.438 CV 1 OR { 1010} (( segid A and resid 39 and name HN )) (( segid A and resid 36 and name HA )) ASSI { 1011} (( segid A and resid 97 and name HN )) (( segid A and resid 97 and name HA )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.22635E-02 ppm1 8.589 ppm2 4.444 CV 1 OR { 1011} (( segid B and resid 97 and name HN )) (( segid B and resid 97 and name HA )) ASSI { 1012} (( segid A and resid 37 and name HN )) (( segid A and resid 36 and name HA )) 3.500 1.500 1.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 7.895 ppm2 4.446 CV 1 OR { 1012} (( segid B and resid 37 and name HN )) (( segid B and resid 36 and name HA )) ASSI { 1013} (( segid A and resid 36 and name HN )) (( segid A and resid 36 and name HA )) 2.900 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.25565E-02 ppm1 8.578 ppm2 4.447 CV 1 OR { 1013} (( segid B and resid 36 and name HN )) (( segid B and resid 36 and name HA )) ASSI { 1015} (( segid B and resid 13 and name HN )) (( segid B and resid 12 and name HA )) 2.600 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.40806E-02 ppm1 8.429 ppm2 4.449 CV 1 OR { 1015} (( segid A and resid 13 and name HN )) (( segid A and resid 12 and name HA )) ASSI { 1016} (( segid B and resid 12 and name HN )) (( segid B and resid 12 and name HA )) 2.500 0.800 0.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.56088E-02 ppm1 8.169 ppm2 4.449 CV 1 OR { 1016} (( segid A and resid 12 and name HN )) (( segid A and resid 12 and name HA )) ASSI { 1017} (( segid B and resid 40 and name HN )) (( segid B and resid 36 and name HA )) 4.000 2.000 2.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.49368E-03 ppm1 8.087 ppm2 4.459 CV 1 OR { 1017} (( segid A and resid 40 and name HN )) (( segid A and resid 36 and name HA )) ASSI { 1018} (( segid A and resid 29 and name HN )) (( segid A and resid 27 and name HA )) 3.100 1.200 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 7.128 ppm2 4.466 CV 1 OR { 1018} (( segid B and resid 29 and name HN )) (( segid B and resid 27 and name HA )) ASSI { 1019} (( segid A and resid 28 and name HN )) (( segid A and resid 27 and name HA )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.69076E-02 ppm1 8.317 ppm2 4.469 CV 1 OR { 1019} (( segid B and resid 28 and name HN )) (( segid B and resid 27 and name HA )) ASSI { 1022} (( segid B and resid 92 and name HN )) (( segid B and resid 91 and name HA )) 3.000 1.100 1.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.25747E-02 ppm1 7.735 ppm2 4.483 CV 1 OR { 1022} (( segid A and resid 92 and name HN )) (( segid A and resid 91 and name HA )) ASSI { 1023} (( segid B and resid 90 and name HN )) (( segid B and resid 91 and name HA )) 3.700 1.700 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.80790E-03 ppm1 8.729 ppm2 4.489 CV 1 OR { 1023} (( segid A and resid 90 and name HN )) (( segid A and resid 91 and name HA )) ASSI { 1024} (( segid B and resid 124 and name HN )) (( segid B and resid 123 and name HA )) 2.500 0.800 0.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.62322E-02 ppm1 8.343 ppm2 4.491 CV 1 OR { 1024} (( segid A and resid 124 and name HN )) (( segid A and resid 123 and name HA )) ASSI { 1028} (( segid B and resid 58 and name HN )) (( segid B and resid 57 and name HA )) 2.600 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.36886E-02 ppm1 9.289 ppm2 4.577 CV 1 OR { 1028} (( segid A and resid 58 and name HN )) (( segid A and resid 57 and name HA )) ASSI { 1029} (( segid B and resid 67 and name HN )) (( segid B and resid 67 and name HA1 )) 2.800 1.000 1.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.18339E-02 ppm1 8.585 ppm2 4.579 CV 1 OR { 1029} (( segid A and resid 67 and name HN )) (( segid A and resid 67 and name HA1 )) ASSI { 1030} (( segid A and resid 57 and name HN )) (( segid A and resid 57 and name HA )) 3.100 1.200 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.14539E-02 ppm1 8.556 ppm2 4.579 CV 1 OR { 1030} (( segid B and resid 57 and name HN )) (( segid B and resid 57 and name HA )) ASSI { 1031} (( segid A and resid 36 and name HN )) (( segid A and resid 33 and name HA )) 3.200 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 8.580 ppm2 4.581 CV 1 OR { 1031} (( segid B and resid 36 and name HN )) (( segid B and resid 33 and name HA )) ASSI { 1032} (( segid B and resid 68 and name HN )) (( segid B and resid 67 and name HA1 )) 2.500 0.800 0.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.44159E-02 ppm1 9.457 ppm2 4.582 CV 1 OR { 1032} (( segid A and resid 68 and name HN )) (( segid A and resid 67 and name HA1 )) ASSI { 1033} (( segid A and resid 37 and name HN )) (( segid A and resid 33 and name HA )) 3.200 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.56511E-03 ppm1 7.896 ppm2 4.585 CV 1 OR { 1033} (( segid B and resid 37 and name HN )) (( segid B and resid 33 and name HA )) ASSI { 1034} (( segid A and resid 33 and name HN )) (( segid A and resid 33 and name HA )) 2.600 0.800 0.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.52767E-02 ppm1 7.754 ppm2 4.586 CV 1 OR { 1034} (( segid B and resid 33 and name HN )) (( segid B and resid 33 and name HA )) ASSI { 1035} (( segid A and resid 34 and name HN )) (( segid A and resid 33 and name HA )) 3.600 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.71966E-03 ppm1 7.666 ppm2 4.588 CV 1 OR { 1035} (( segid B and resid 34 and name HN )) (( segid B and resid 33 and name HA )) ASSI { 1036} (( segid B and resid 17 and name HN )) (( segid B and resid 67 and name HA1 )) 3.900 1.900 1.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.92833E-03 ppm1 9.112 ppm2 4.589 CV 1 OR { 1036} (( segid A and resid 17 and name HN )) (( segid A and resid 67 and name HA1 )) ASSI { 1037} (( segid A and resid 16 and name HN )) (( segid A and resid 15 and name HA )) 1.900 0.400 0.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.25480E-01 ppm1 8.094 ppm2 4.590 CV 1 OR { 1037} (( segid B and resid 16 and name HN )) (( segid B and resid 15 and name HA )) ASSI { 1038} (( segid A and resid 51 and name HN )) (( segid A and resid 67 and name HA1 )) 3.900 1.900 1.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.73222E-03 ppm1 8.770 ppm2 4.594 CV 1 OR { 1038} (( segid B and resid 51 and name HN )) (( segid B and resid 67 and name HA1 )) ASSI { 1040} (( segid A and resid 92 and name HN )) (( segid A and resid 92 and name HA )) 2.500 0.800 0.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.49705E-02 ppm1 7.734 ppm2 4.605 CV 1 OR { 1040} (( segid B and resid 92 and name HN )) (( segid B and resid 92 and name HA )) ASSI { 1042} (( segid B and resid 93 and name HN )) (( segid B and resid 92 and name HA )) 1.800 0.400 0.400 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.36083E-01 ppm1 8.444 ppm2 4.607 CV 1 OR { 1042} (( segid A and resid 93 and name HN )) (( segid A and resid 92 and name HA )) ASSI { 1043} (( segid B and resid 28 and name HN )) (( segid B and resid 26 and name HA )) 3.000 1.100 1.100 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.29374E-02 ppm1 8.317 ppm2 4.610 CV 1 OR { 1043} (( segid A and resid 28 and name HN )) (( segid A and resid 26 and name HA )) ASSI { 1044} (( segid A and resid 103 and name HN )) (( segid A and resid 102 and name HA )) 2.500 0.800 0.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.58340E-02 ppm1 8.079 ppm2 4.612 CV 1 OR { 1044} (( segid B and resid 103 and name HN )) (( segid B and resid 102 and name HA )) ASSI { 1045} (( segid B and resid 26 and name HN )) (( segid B and resid 26 and name HA )) 2.400 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.56839E-02 ppm1 8.399 ppm2 4.616 CV 1 OR { 1045} (( segid A and resid 26 and name HN )) (( segid A and resid 26 and name HA )) ASSI { 1047} (( segid B and resid 102 and name HN )) (( segid B and resid 101 and name HA )) 2.300 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.97362E-02 ppm1 8.525 ppm2 4.629 CV 1 OR { 1047} (( segid A and resid 102 and name HN )) (( segid A and resid 101 and name HA )) ASSI { 1048} (( segid A and resid 90 and name HN )) (( segid A and resid 89 and name HA )) 2.000 0.500 0.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.18950E-01 ppm1 8.729 ppm2 4.633 CV 1 OR { 1048} (( segid B and resid 90 and name HN )) (( segid B and resid 89 and name HA )) ASSI { 1049} (( segid B and resid 89 and name HN )) (( segid B and resid 89 and name HA )) 2.900 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.24550E-02 ppm1 9.603 ppm2 4.634 CV 1 OR { 1049} (( segid A and resid 89 and name HN )) (( segid A and resid 89 and name HA )) ASSI { 1051} (( segid B and resid 101 and name HN )) (( segid B and resid 101 and name HA )) 3.400 1.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.84643E-03 ppm1 9.577 ppm2 4.638 CV 1 OR { 1051} (( segid A and resid 101 and name HN )) (( segid A and resid 101 and name HA )) ASSI { 1052} (( segid A and resid 83 and name HN )) (( segid A and resid 83 and name HA )) 2.600 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.41278E-02 ppm1 8.700 ppm2 4.643 CV 1 OR { 1052} (( segid B and resid 83 and name HN )) (( segid B and resid 83 and name HA )) ASSI { 1053} (( segid A and resid 84 and name HN )) (( segid A and resid 83 and name HA )) 3.300 1.400 1.400 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 9.607 ppm2 4.645 CV 1 OR { 1053} (( segid B and resid 84 and name HN )) (( segid B and resid 83 and name HA )) ASSI { 1054} (( segid A and resid 85 and name HN )) (( segid A and resid 25 and name HA )) 2.900 2.900 3.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.48809E-02 ppm1 8.306 ppm2 4.650 CV 1 OR { 1054} (( segid B and resid 85 and name HN )) (( segid B and resid 25 and name HA )) ASSI { 1056} (( segid B and resid 25 and name HN )) (( segid B and resid 25 and name HA )) 2.900 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 8.443 ppm2 4.658 CV 1 OR { 1056} (( segid A and resid 25 and name HN )) (( segid A and resid 25 and name HA )) ASSI { 1057} (( segid B and resid 26 and name HN )) (( segid B and resid 25 and name HA )) 2.200 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.88209E-02 ppm1 8.400 ppm2 4.660 CV 1 OR { 1057} (( segid A and resid 26 and name HN )) (( segid A and resid 25 and name HA )) ASSI { 1058} (( segid B and resid 86 and name HN )) (( segid B and resid 25 and name HA )) 3.100 1.200 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 9.307 ppm2 4.665 CV 1 OR { 1058} (( segid A and resid 86 and name HN )) (( segid A and resid 25 and name HA )) ASSI { 1059} (( segid B and resid 29 and name HN )) (( segid B and resid 28 and name HA )) 2.800 1.000 1.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.39114E-02 ppm1 7.130 ppm2 4.688 CV 1 OR { 1059} (( segid A and resid 29 and name HN )) (( segid A and resid 28 and name HA )) ASSI { 1060} (( segid B and resid 28 and name HN )) (( segid B and resid 28 and name HA )) 2.300 0.600 0.600 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.11218E-01 ppm1 8.317 ppm2 4.690 CV 1 OR { 1060} (( segid A and resid 28 and name HN )) (( segid A and resid 28 and name HA )) ASSI { 1065} (( segid B and resid 33 and name HN )) (( segid B and resid 30 and name HB )) 2.900 1.100 1.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 7.754 ppm2 4.768 CV 1 OR { 1065} (( segid A and resid 33 and name HN )) (( segid A and resid 30 and name HB )) ASSI { 1066} (( segid B and resid 32 and name HN )) (( segid B and resid 30 and name HB )) 2.800 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.37501E-02 ppm1 8.205 ppm2 4.769 CV 1 OR { 1066} (( segid A and resid 32 and name HN )) (( segid A and resid 30 and name HB )) ASSI { 1067} (( segid A and resid 31 and name HN )) (( segid A and resid 30 and name HB )) 3.000 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.26286E-02 ppm1 8.856 ppm2 4.769 CV 1 OR { 1067} (( segid B and resid 31 and name HN )) (( segid B and resid 30 and name HB )) ASSI { 1068} (( segid A and resid 30 and name HN )) (( segid A and resid 30 and name HB )) 4.000 2.000 2.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.59457E-03 ppm1 9.311 ppm2 4.771 CV 1 OR { 1068} (( segid B and resid 30 and name HN )) (( segid B and resid 30 and name HB )) ASSI { 1069} (( segid A and resid 96 and name HN )) (( segid A and resid 16 and name HA )) 3.300 1.400 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 7.865 ppm2 4.776 CV 1 OR { 1069} (( segid B and resid 96 and name HN )) (( segid B and resid 16 and name HA )) ASSI { 1070} (( segid A and resid 67 and name HN )) (( segid A and resid 16 and name HA )) 3.800 1.800 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.11391E-02 ppm1 8.587 ppm2 4.778 CV 1 OR { 1070} (( segid B and resid 67 and name HN )) (( segid B and resid 16 and name HA )) ASSI { 1071} (( segid A and resid 16 and name HN )) (( segid A and resid 16 and name HA )) 2.200 0.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.72307E-02 ppm1 8.094 ppm2 4.779 CV 1 OR { 1071} (( segid B and resid 16 and name HN )) (( segid B and resid 16 and name HA )) ASSI { 1072} (( segid A and resid 68 and name HN )) (( segid A and resid 16 and name HA )) 4.100 2.100 1.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.79654E-03 ppm1 9.459 ppm2 4.780 CV 1 OR { 1072} (( segid B and resid 68 and name HN )) (( segid B and resid 16 and name HA )) ASSI { 1073} (( segid A and resid 85 and name HN )) (( segid A and resid 86 and name HA )) 3.500 1.500 1.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12976E-02 ppm1 8.304 ppm2 4.781 CV 1 OR { 1073} (( segid B and resid 85 and name HN )) (( segid B and resid 86 and name HA )) ASSI { 1075} (( segid A and resid 87 and name HN )) (( segid A and resid 86 and name HA )) 2.400 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.81215E-02 ppm1 8.924 ppm2 4.785 CV 1 OR { 1075} (( segid B and resid 87 and name HN )) (( segid B and resid 86 and name HA )) ASSI { 1076} (( segid B and resid 86 and name HN )) (( segid B and resid 86 and name HA )) 2.800 1.000 1.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.26086E-02 ppm1 9.308 ppm2 4.786 CV 1 OR { 1076} (( segid A and resid 86 and name HN )) (( segid A and resid 86 and name HA )) ASSI { 1078} (( segid B and resid 88 and name HN )) (( segid B and resid 86 and name HA )) 2.600 2.600 3.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 7.934 ppm2 4.790 CV 1 OR { 1078} (( segid A and resid 88 and name HN )) (( segid A and resid 86 and name HA )) ASSI { 1079} (( segid A and resid 104 and name HN )) (( segid A and resid 51 and name HA )) 3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 8.442 ppm2 4.825 CV 1 OR { 1079} (( segid B and resid 104 and name HN )) (( segid B and resid 51 and name HA )) ASSI { 1080} (( segid A and resid 101 and name HN )) (( segid A and resid 51 and name HA )) 4.500 2.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.45775E-03 ppm1 9.580 ppm2 4.826 CV 1 OR { 1080} (( segid B and resid 101 and name HN )) (( segid B and resid 51 and name HA )) ASSI { 1081} (( segid B and resid 51 and name HN )) (( segid B and resid 51 and name HA )) 2.900 1.000 1.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 8.774 ppm2 4.830 CV 1 OR { 1081} (( segid A and resid 51 and name HN )) (( segid A and resid 51 and name HA )) ASSI { 1082} (( segid B and resid 52 and name HN )) (( segid B and resid 51 and name HA )) 2.600 0.800 0.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.36493E-02 ppm1 9.083 ppm2 4.830 CV 1 OR { 1082} (( segid A and resid 52 and name HN )) (( segid A and resid 51 and name HA )) ASSI { 1083} (( segid A and resid 103 and name HN )) (( segid A and resid 51 and name HA )) 3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.079 ppm2 4.834 CV 1 OR { 1083} (( segid B and resid 103 and name HN )) (( segid B and resid 51 and name HA )) ASSI { 1085} (( segid A and resid 60 and name HN )) (( segid A and resid 60 and name HA )) 3.000 1.200 1.200 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.16545E-02 ppm1 7.764 ppm2 4.837 CV 1 OR { 1085} (( segid B and resid 60 and name HN )) (( segid B and resid 60 and name HA )) ASSI { 1086} (( segid B and resid 25 and name HN )) (( segid B and resid 60 and name HA )) 2.900 1.000 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.444 ppm2 4.838 CV 1 OR { 1086} (( segid A and resid 25 and name HN )) (( segid A and resid 60 and name HA )) ASSI { 1087} (( segid A and resid 102 and name HN )) (( segid A and resid 51 and name HA )) 3.700 1.700 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 8.524 ppm2 4.839 CV 1 OR { 1087} (( segid B and resid 102 and name HN )) (( segid B and resid 51 and name HA )) ASSI { 1088} (( segid B and resid 98 and name HN )) (( segid B and resid 96 and name HA )) 2.900 1.100 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.60581E-02 ppm1 7.370 ppm2 4.840 CV 1 OR { 1088} (( segid A and resid 98 and name HN )) (( segid A and resid 96 and name HA )) ASSI { 1089} (( segid A and resid 97 and name HN )) (( segid A and resid 96 and name HA )) 2.500 0.800 0.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.55906E-02 ppm1 8.588 ppm2 4.840 CV 1 OR { 1089} (( segid B and resid 97 and name HN )) (( segid B and resid 96 and name HA )) ASSI { 1090} (( segid B and resid 23 and name HN )) (( segid B and resid 60 and name HA )) 4.200 2.200 1.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.70261E-03 ppm1 9.670 ppm2 4.841 CV 1 OR { 1090} (( segid A and resid 23 and name HN )) (( segid A and resid 60 and name HA )) ASSI { 1092} (( segid B and resid 96 and name HN )) (( segid B and resid 96 and name HA )) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.37973E-02 ppm1 7.865 ppm2 4.848 CV 1 OR { 1092} (( segid A and resid 96 and name HN )) (( segid A and resid 96 and name HA )) ASSI { 1093} (( segid B and resid 32 and name HN )) (( segid B and resid 30 and name HA )) 3.100 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.19082E-02 ppm1 8.204 ppm2 4.853 CV 1 OR { 1093} (( segid A and resid 32 and name HN )) (( segid A and resid 30 and name HA )) ASSI { 1094} (( segid B and resid 33 and name HN )) (( segid B and resid 30 and name HA )) 3.200 1.300 1.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 7.753 ppm2 4.853 CV 1 OR { 1094} (( segid A and resid 33 and name HN )) (( segid A and resid 30 and name HA )) ASSI { 1095} (( segid A and resid 30 and name HN )) (( segid A and resid 30 and name HA )) 3.300 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.10152E-02 ppm1 9.312 ppm2 4.856 CV 1 OR { 1095} (( segid B and resid 30 and name HN )) (( segid B and resid 30 and name HA )) ASSI { 1096} (( segid A and resid 31 and name HN )) (( segid A and resid 30 and name HA )) 2.800 1.000 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.29757E-02 ppm1 8.855 ppm2 4.856 CV 1 OR { 1096} (( segid B and resid 31 and name HN )) (( segid B and resid 30 and name HA )) ASSI { 1101} (( segid B and resid 94 and name HN )) (( segid B and resid 94 and name HA )) 2.700 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.35129E-02 ppm1 8.716 ppm2 4.910 CV 1 OR { 1101} (( segid A and resid 94 and name HN )) (( segid A and resid 94 and name HA )) ASSI { 1102} (( segid A and resid 95 and name HN )) (( segid A and resid 94 and name HA )) 2.000 0.500 0.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.21950E-01 ppm1 8.771 ppm2 4.914 CV 1 OR { 1102} (( segid B and resid 95 and name HN )) (( segid B and resid 94 and name HA )) ASSI { 1103} (( segid A and resid 93 and name HN )) (( segid A and resid 94 and name HA )) 3.400 1.400 1.400 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 8.441 ppm2 4.918 CV 1 OR { 1103} (( segid B and resid 93 and name HN )) (( segid B and resid 94 and name HA )) ASSI { 1106} (( segid A and resid 96 and name HN )) (( segid A and resid 95 and name HA )) 1.900 0.400 0.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.14344E-01 ppm1 7.866 ppm2 4.937 CV 1 OR { 1106} (( segid B and resid 96 and name HN )) (( segid B and resid 95 and name HA )) ASSI { 1107} (( segid B and resid 16 and name HN )) (( segid B and resid 95 and name HA )) 3.600 1.700 1.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 8.092 ppm2 4.946 CV 1 OR { 1107} (( segid A and resid 16 and name HN )) (( segid A and resid 95 and name HA )) ASSI { 1109} (( segid A and resid 89 and name HN )) (( segid A and resid 23 and name HA )) 3.400 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10338E-02 ppm1 9.605 ppm2 5.111 CV 1 OR { 1109} (( segid B and resid 89 and name HN )) (( segid B and resid 23 and name HA )) ASSI { 1110} (( segid B and resid 25 and name HN )) (( segid B and resid 24 and name HA )) 2.100 0.600 0.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.10883E-01 ppm1 8.442 ppm2 5.112 CV 1 OR { 1110} (( segid A and resid 25 and name HN )) (( segid A and resid 24 and name HA )) ASSI { 1111} (( segid A and resid 88 and name HN )) (( segid A and resid 23 and name HA )) 3.300 1.400 1.400 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 7.933 ppm2 5.114 CV 1 OR { 1111} (( segid B and resid 88 and name HN )) (( segid B and resid 23 and name HA )) ASSI { 1113} (( segid A and resid 24 and name HN )) (( segid A and resid 23 and name HA )) 2.400 0.700 0.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.54952E-02 ppm1 8.829 ppm2 5.115 CV 1 OR { 1113} (( segid B and resid 24 and name HN )) (( segid B and resid 23 and name HA )) ASSI { 1114} (( segid A and resid 86 and name HN )) (( segid A and resid 24 and name HA )) 3.600 1.600 1.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 9.306 ppm2 5.116 CV 1 OR { 1114} (( segid B and resid 86 and name HN )) (( segid B and resid 24 and name HA )) ASSI { 1117} (( segid A and resid 68 and name HN )) (( segid A and resid 68 and name HA )) 2.600 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.25441E-02 ppm1 9.455 ppm2 5.143 CV 1 OR { 1117} (( segid B and resid 68 and name HN )) (( segid B and resid 68 and name HA )) ASSI { 1120} (( segid A and resid 54 and name HN )) (( segid A and resid 106 and name HA )) 3.600 1.600 1.600 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.78098E-03 ppm1 7.786 ppm2 5.185 CV 1 OR { 1120} (( segid B and resid 54 and name HN )) (( segid B and resid 106 and name HA )) ASSI { 1121} (( segid B and resid 107 and name HN )) (( segid B and resid 106 and name HA )) 3.100 1.200 1.200 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.18627E-02 ppm1 9.094 ppm2 5.187 CV 1 OR { 1121} (( segid A and resid 107 and name HN )) (( segid A and resid 106 and name HA )) ASSI { 1122} (( segid A and resid 93 and name HN )) (( segid A and resid 93 and name HA )) 2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.51653E-02 ppm1 8.443 ppm2 5.200 CV 1 OR { 1122} (( segid B and resid 93 and name HN )) (( segid B and resid 93 and name HA )) ASSI { 1123} (( segid B and resid 94 and name HN )) (( segid B and resid 93 and name HA )) 2.100 0.500 0.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.11071E-01 ppm1 8.720 ppm2 5.201 CV 1 OR { 1123} (( segid A and resid 94 and name HN )) (( segid A and resid 93 and name HA )) ASSI { 1128} (( segid A and resid 18 and name HN )) (( segid A and resid 17 and name HA )) 2.100 0.500 0.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.72839E-02 ppm1 9.027 ppm2 5.240 CV 1 OR { 1128} (( segid B and resid 18 and name HN )) (( segid B and resid 17 and name HA )) ASSI { 1129} (( segid A and resid 96 and name HN )) (( segid A and resid 17 and name HA )) 2.200 0.600 0.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.55315E-02 ppm1 7.866 ppm2 5.241 CV 1 OR { 1129} (( segid B and resid 96 and name HN )) (( segid B and resid 17 and name HA )) ASSI { 1130} (( segid A and resid 94 and name HN )) (( segid A and resid 19 and name HA )) 3.200 1.300 1.300 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 8.716 ppm2 5.268 CV 1 OR { 1130} (( segid B and resid 94 and name HN )) (( segid B and resid 19 and name HA )) ASSI { 1131} (( segid B and resid 108 and name HN )) (( segid B and resid 108 and name HA )) 3.400 1.400 1.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.92630E-03 ppm1 7.765 ppm2 5.272 CV 1 OR { 1131} (( segid A and resid 108 and name HN )) (( segid A and resid 108 and name HA )) ASSI { 1132} (( segid A and resid 109 and name HN )) (( segid A and resid 108 and name HA )) 3.700 1.700 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.56244E-03 ppm1 8.439 ppm2 5.272 CV 1 OR { 1132} (( segid B and resid 109 and name HN )) (( segid B and resid 108 and name HA )) ASSI { 1133} (( segid A and resid 93 and name HN )) (( segid A and resid 19 and name HA )) 3.400 1.500 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.16174E-02 ppm1 8.443 ppm2 5.275 CV 1 OR { 1133} (( segid B and resid 93 and name HN )) (( segid B and resid 19 and name HA )) ASSI { 1134} (( segid B and resid 20 and name HN )) (( segid B and resid 19 and name HA )) 2.300 0.700 0.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.57120E-02 ppm1 8.765 ppm2 5.276 CV 1 OR { 1134} (( segid A and resid 20 and name HN )) (( segid A and resid 19 and name HA )) ASSI { 1138} (( segid B and resid 19 and name HN )) (( segid B and resid 19 and name HA )) 3.100 1.200 1.200 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 9.416 ppm2 5.284 CV 1 OR { 1138} (( segid A and resid 19 and name HN )) (( segid A and resid 19 and name HA )) ASSI { 1142} (( segid A and resid 53 and name HN )) (( segid A and resid 65 and name HA )) 4.000 2.000 2.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.46143E-03 ppm1 7.977 ppm2 5.311 CV 1 OR { 1142} (( segid B and resid 53 and name HN )) (( segid B and resid 65 and name HA )) ASSI { 1144} (( segid A and resid 52 and name HN )) (( segid A and resid 52 and name HA1 )) 3.500 1.600 1.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.70243E-03 ppm1 9.080 ppm2 5.384 CV 1 OR { 1144} (( segid B and resid 52 and name HN )) (( segid B and resid 52 and name HA1 )) OR { 1144} (( segid B and resid 52 and name HN )) (( segid B and resid 52 and name HA2 )) OR { 1144} (( segid A and resid 52 and name HN )) (( segid A and resid 52 and name HA2 )) ASSI { 1145} (( segid A and resid 108 and name HN )) (( segid A and resid 107 and name HA )) 3.000 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 7.766 ppm2 5.387 CV 1 OR { 1145} (( segid B and resid 108 and name HN )) (( segid B and resid 107 and name HA )) ASSI { 1146} (( segid B and resid 53 and name HN )) (( segid B and resid 52 and name HA2 )) 3.100 1.200 1.200 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.15201E-02 ppm1 7.977 ppm2 5.395 CV 1 OR { 1146} (( segid A and resid 53 and name HN )) (( segid A and resid 52 and name HA2 )) OR { 1146} (( segid A and resid 53 and name HN )) (( segid A and resid 52 and name HA1 )) OR { 1146} (( segid B and resid 53 and name HN )) (( segid B and resid 52 and name HA1 )) ASSI { 1149} (( segid A and resid 107 and name HN )) (( segid A and resid 107 and name HA )) 3.900 1.900 1.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.43138E-03 ppm1 9.107 ppm2 5.407 CV 1 OR { 1149} (( segid B and resid 107 and name HN )) (( segid B and resid 107 and name HA )) ASSI { 1151} (( segid B and resid 90 and name HN )) (( segid B and resid 21 and name HA )) 4.000 2.000 2.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.69848E-03 ppm1 8.724 ppm2 5.457 CV 1 OR { 1151} (( segid A and resid 90 and name HN )) (( segid A and resid 21 and name HA )) ASSI { 1154} (( segid B and resid 21 and name HN )) (( segid B and resid 21 and name HA )) 3.300 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.81562E-03 ppm1 8.764 ppm2 5.472 CV 1 OR { 1154} (( segid A and resid 21 and name HN )) (( segid A and resid 21 and name HA )) ASSI { 1155} (( segid A and resid 92 and name HN )) (( segid A and resid 21 and name HA )) 3.400 1.500 1.500 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 7.735 ppm2 5.473 CV 1 OR { 1155} (( segid B and resid 92 and name HN )) (( segid B and resid 21 and name HA )) ASSI { 1156} (( segid B and resid 52 and name HN )) (( segid B and resid 104 and name HA )) 3.300 1.400 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 9.080 ppm2 5.502 CV 1 OR { 1156} (( segid A and resid 52 and name HN )) (( segid A and resid 104 and name HA )) ASSI { 1157} (( segid B and resid 105 and name HN )) (( segid B and resid 104 and name HA )) 2.600 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.38770E-02 ppm1 6.315 ppm2 5.503 CV 1 OR { 1157} (( segid A and resid 105 and name HN )) (( segid A and resid 104 and name HA )) ASSI { 1158} (( segid A and resid 26 and name HN )) (( segid A and resid 85 and name HA )) 2.500 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.55814E-02 ppm1 8.399 ppm2 5.505 CV 1 OR { 1158} (( segid B and resid 26 and name HN )) (( segid B and resid 85 and name HA )) ASSI { 1159} (( segid B and resid 85 and name HN )) (( segid B and resid 85 and name HA )) 2.500 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.44643E-02 ppm1 8.306 ppm2 5.506 CV 1 OR { 1159} (( segid A and resid 85 and name HN )) (( segid A and resid 85 and name HA )) ASSI { 1160} (( segid A and resid 86 and name HN )) (( segid A and resid 85 and name HA )) 2.500 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.45461E-02 ppm1 9.308 ppm2 5.506 CV 1 OR { 1160} (( segid B and resid 86 and name HN )) (( segid B and resid 85 and name HA )) ASSI { 1161} (( segid A and resid 104 and name HN )) (( segid A and resid 104 and name HA )) 3.000 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19842E-02 ppm1 8.443 ppm2 5.509 CV 1 OR { 1161} (( segid B and resid 104 and name HN )) (( segid B and resid 104 and name HA )) ASSI { 1166} (( segid A and resid 57 and name HN )) (( segid A and resid 56 and name HA )) 2.500 0.800 0.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.48360E-02 ppm1 8.557 ppm2 5.548 CV 1 OR { 1166} (( segid B and resid 57 and name HN )) (( segid B and resid 56 and name HA )) ASSI { 1171} (( segid B and resid 18 and name HN )) (( segid B and resid 18 and name HA )) 2.900 1.100 1.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.14181E-02 ppm1 9.027 ppm2 5.705 CV 1 OR { 1171} (( segid A and resid 18 and name HN )) (( segid A and resid 18 and name HA )) ASSI { 1173} (( segid B and resid 22 and name HN )) (( segid B and resid 22 and name HA )) 3.000 1.200 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 8.695 ppm2 5.713 CV 1 OR { 1173} (( segid A and resid 22 and name HN )) (( segid A and resid 22 and name HA )) ASSI { 1174} (( segid A and resid 23 and name HN )) (( segid A and resid 22 and name HA )) 2.300 0.700 0.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.51102E-02 ppm1 9.671 ppm2 5.714 CV 1 OR { 1174} (( segid B and resid 23 and name HN )) (( segid B and resid 22 and name HA )) ASSI { 1180} (( segid B and resid 17 and name HN )) (( segid B and resid 66 and name HA )) 3.800 1.800 1.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.11188E-02 ppm1 9.110 ppm2 5.869 CV 1 OR { 1180} (( segid A and resid 17 and name HN )) (( segid A and resid 66 and name HA )) ASSI { 1181} (( segid A and resid 19 and name HN )) (( segid A and resid 66 and name HA )) 3.600 1.600 1.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 9.415 ppm2 5.871 CV 1 OR { 1181} (( segid B and resid 19 and name HN )) (( segid B and resid 66 and name HA )) ASSI { 1184} (( segid B and resid 64 and name HE1 )) (( segid B and resid 20 and name HA )) 4.700 2.800 1.300 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.42539E-03 ppm1 10.647 ppm2 5.881 CV 1 OR { 1184} (( segid A and resid 64 and name HE1 )) (( segid A and resid 20 and name HA )) ASSI { 1192} (( segid B and resid 52 and name HN )) (( segid B and resid 105 and name HN )) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.46280E-03 ppm1 9.084 ppm2 6.312 CV 1 OR { 1192} (( segid A and resid 52 and name HN )) (( segid A and resid 105 and name HN )) ASSI { 1193} (( segid B and resid 25 and name HN )) ( segid B and resid 56 and name HE% ) 4.200 2.200 1.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.75340E-03 ppm1 8.445 ppm2 6.397 CV 1 OR { 1193} (( segid A and resid 25 and name HN )) ( segid A and resid 56 and name HE% ) ASSI { 1194} (( segid B and resid 59 and name HN )) ( segid B and resid 56 and name HE% ) 3.200 1.300 1.300 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.14585E-02 ppm1 6.499 ppm2 6.406 CV 1 OR { 1194} (( segid A and resid 59 and name HN )) ( segid A and resid 56 and name HE% ) ASSI { 1195} (( segid B and resid 60 and name HN )) ( segid B and resid 56 and name HE% ) 3.800 1.800 1.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.61646E-03 ppm1 7.762 ppm2 6.414 CV 1 OR { 1195} (( segid A and resid 60 and name HN )) ( segid A and resid 56 and name HE% ) ASSI { 1198} (( segid B and resid 60 and name HN )) (( segid B and resid 59 and name HN )) 3.100 1.200 1.200 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.18384E-02 ppm1 7.765 ppm2 6.491 CV 1 OR { 1198} (( segid A and resid 60 and name HN )) (( segid A and resid 59 and name HN )) ASSI { 1203} (( segid B and resid 57 and name HN )) ( segid B and resid 56 and name HD% ) 3.400 1.500 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.10387E-02 ppm1 8.557 ppm2 6.541 CV 1 OR { 1203} (( segid A and resid 57 and name HN )) ( segid A and resid 56 and name HD% ) ASSI { 1205} (( segid A and resid 80 and name HE22)) (( segid A and resid 80 and name HE21)) 1.200 0.200 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.14198E+00 ppm1 6.844 ppm2 6.639 CV 1 OR { 1205} (( segid B and resid 80 and name HE22)) (( segid B and resid 80 and name HE21)) ASSI { 1206} (( segid A and resid 88 and name HN )) ( segid A and resid 21 and name HE% ) 4.500 2.500 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.44482E-03 ppm1 7.926 ppm2 6.667 CV 1 OR { 1206} (( segid B and resid 88 and name HN )) ( segid B and resid 21 and name HE% ) ASSI { 1207} (( segid B and resid 90 and name HN )) ( segid B and resid 21 and name HE% ) 3.200 3.200 2.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.51199E-03 ppm1 8.722 ppm2 6.676 CV 1 OR { 1207} (( segid A and resid 90 and name HN )) ( segid A and resid 21 and name HE% ) ASSI { 1209} (( segid B and resid 80 and name HE21)) ( segid B and resid 21 and name HD% ) 2.600 2.600 3.400 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.11393E-01 ppm1 6.649 ppm2 6.718 CV 1 OR { 1209} (( segid A and resid 80 and name HE21)) ( segid A and resid 21 and name HD% ) ASSI { 1210} (( segid B and resid 89 and name HN )) ( segid B and resid 21 and name HD% ) 3.600 1.600 1.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 9.604 ppm2 6.727 CV 1 OR { 1210} (( segid A and resid 89 and name HN )) ( segid A and resid 21 and name HD% ) ASSI { 1212} (( segid A and resid 23 and name HN )) ( segid A and resid 21 and name HD% ) 3.400 1.500 1.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.96022E-03 ppm1 9.666 ppm2 6.732 CV 1 OR { 1212} (( segid B and resid 23 and name HN )) ( segid B and resid 21 and name HD% ) ASSI { 1213} (( segid B and resid 22 and name HN )) ( segid B and resid 21 and name HD% ) 3.400 1.400 1.400 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 8.696 ppm2 6.733 CV 1 OR { 1213} (( segid A and resid 22 and name HN )) ( segid A and resid 21 and name HD% ) ASSI { 1215} (( segid A and resid 21 and name HN )) ( segid A and resid 21 and name HD% ) 3.200 1.300 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.99019E-03 ppm1 8.763 ppm2 6.736 CV 1 OR { 1215} (( segid B and resid 21 and name HN )) ( segid B and resid 21 and name HD% ) ASSI { 1221} (( segid A and resid 58 and name HE22)) (( segid A and resid 58 and name HE21)) 1.300 0.200 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.14145E+00 ppm1 7.536 ppm2 6.872 CV 1 OR { 1221} (( segid B and resid 58 and name HE22)) (( segid B and resid 58 and name HE21)) ASSI { 1223} (( segid B and resid 45 and name HN )) (( segid B and resid 43 and name HN )) 4.000 2.000 2.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.52222E-03 ppm1 9.094 ppm2 6.890 CV 1 OR { 1223} (( segid A and resid 45 and name HN )) (( segid A and resid 43 and name HN )) ASSI { 1224} (( segid A and resid 42 and name HN )) (( segid A and resid 43 and name HN )) 3.500 1.600 1.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.63602E-03 ppm1 8.743 ppm2 6.906 CV 1 OR { 1224} (( segid B and resid 42 and name HN )) (( segid B and resid 43 and name HN )) ASSI { 1225} (( segid A and resid 87 and name HD22)) (( segid A and resid 87 and name HD21)) 1.300 0.200 0.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.91308E-01 ppm1 7.366 ppm2 6.908 CV 1 OR { 1225} (( segid B and resid 87 and name HD22)) (( segid B and resid 87 and name HD21)) ASSI { 1226} (( segid A and resid 42 and name HE22)) (( segid A and resid 43 and name HN )) 4.200 2.200 1.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.86145E-03 ppm1 7.697 ppm2 6.909 CV 1 OR { 1226} (( segid B and resid 42 and name HE22)) (( segid B and resid 43 and name HN )) ASSI { 1227} (( segid B and resid 42 and name HE21)) (( segid B and resid 43 and name HN )) 3.200 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.12509E-02 ppm1 7.044 ppm2 6.911 CV 1 OR { 1227} (( segid A and resid 42 and name HE21)) (( segid A and resid 43 and name HN )) ASSI { 1228} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HD21)) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.38462E-03 ppm1 7.927 ppm2 6.913 CV 1 OR { 1228} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HD21)) ASSI { 1229} (( segid B and resid 44 and name HN )) (( segid B and resid 43 and name HN )) 3.000 1.100 1.100 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.17955E-02 ppm1 8.218 ppm2 6.915 CV 1 OR { 1229} (( segid A and resid 44 and name HN )) (( segid A and resid 43 and name HN )) ASSI { 1236} (( segid A and resid 42 and name HE22)) (( segid A and resid 42 and name HE21)) 1.600 0.300 0.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.35085E-01 ppm1 7.697 ppm2 7.044 CV 1 OR { 1236} (( segid B and resid 42 and name HE22)) (( segid B and resid 42 and name HE21)) ASSI { 1238} (( segid B and resid 64 and name HE1 )) ( segid B and resid 62 and name HE% ) 3.900 1.900 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.49616E-03 ppm1 10.678 ppm2 7.072 CV 1 OR { 1238} (( segid A and resid 64 and name HE1 )) ( segid A and resid 62 and name HE% ) ASSI { 1239} (( segid B and resid 63 and name HE22)) (( segid B and resid 63 and name HE21)) 3.300 3.300 2.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.41212E-03 ppm1 7.896 ppm2 7.079 CV 1 OR { 1239} (( segid A and resid 63 and name HE22)) (( segid A and resid 63 and name HE21)) ASSI { 1242} (( segid A and resid 105 and name HN )) (( segid A and resid 64 and name HZ3 )) 3.200 3.200 2.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.53244E-03 ppm1 6.314 ppm2 7.106 CV 1 OR { 1242} (( segid B and resid 105 and name HN )) (( segid B and resid 64 and name HZ3 )) ASSI { 1244} (( segid B and resid 28 and name HN )) (( segid B and resid 29 and name HN )) 2.300 0.600 0.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.90279E-02 ppm1 8.317 ppm2 7.127 CV 1 OR { 1244} (( segid A and resid 28 and name HN )) (( segid A and resid 29 and name HN )) ASSI { 1246} (( segid B and resid 77 and name HN )) (( segid B and resid 78 and name HN )) 2.600 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.38710E-02 ppm1 7.878 ppm2 7.155 CV 1 OR { 1246} (( segid A and resid 77 and name HN )) (( segid A and resid 78 and name HN )) ASSI { 1248} (( segid A and resid 64 and name HE1 )) (( segid A and resid 64 and name HZ2 )) 2.700 0.900 0.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.36317E-02 ppm1 10.666 ppm2 7.155 CV 1 OR { 1248} (( segid B and resid 64 and name HE1 )) (( segid B and resid 64 and name HZ2 )) ASSI { 1250} (( segid A and resid 44 and name HN )) (( segid A and resid 44 and name HD2 )) 4.300 2.300 1.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.68454E-03 ppm1 8.229 ppm2 7.161 CV 1 OR { 1250} (( segid B and resid 44 and name HN )) (( segid B and resid 44 and name HD2 )) ASSI { 1251} (( segid B and resid 45 and name HN )) (( segid B and resid 47 and name HN )) 3.200 1.300 1.300 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.18289E-02 ppm1 9.094 ppm2 7.167 CV 1 OR { 1251} (( segid A and resid 45 and name HN )) (( segid A and resid 47 and name HN )) ASSI { 1255} (( segid B and resid 49 and name HN )) (( segid B and resid 47 and name HN )) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 7.550 ppm2 7.169 CV 1 OR { 1255} (( segid A and resid 49 and name HN )) (( segid A and resid 47 and name HN )) ASSI { 1256} (( segid B and resid 46 and name HN )) (( segid B and resid 47 and name HN )) 2.400 0.700 0.700 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.56261E-02 ppm1 7.283 ppm2 7.170 CV 1 OR { 1256} (( segid A and resid 46 and name HN )) (( segid A and resid 47 and name HN )) ASSI { 1259} (( segid A and resid 82 and name HN )) (( segid A and resid 85 and name HE1 )) 3.900 1.900 1.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.87622E-03 ppm1 7.335 ppm2 7.200 CV 1 OR { 1259} (( segid B and resid 82 and name HN )) (( segid B and resid 85 and name HE1 )) ASSI { 1263} (( segid B and resid 100 and name HN )) ( segid B and resid 101 and name HD% ) 4.100 2.100 1.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.44629E-03 ppm1 11.650 ppm2 7.248 CV 1 OR { 1263} (( segid A and resid 100 and name HN )) ( segid A and resid 101 and name HD% ) ASSI { 1264} (( segid B and resid 53 and name HN )) ( segid B and resid 101 and name HD% ) 4.100 2.100 1.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.49675E-03 ppm1 7.979 ppm2 7.253 CV 1 OR { 1264} (( segid A and resid 53 and name HN )) ( segid A and resid 101 and name HD% ) ASSI { 1265} (( segid A and resid 52 and name HN )) ( segid A and resid 101 and name HD% ) 3.800 1.800 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.56725E-03 ppm1 9.074 ppm2 7.254 CV 1 OR { 1265} (( segid B and resid 52 and name HN )) ( segid B and resid 101 and name HD% ) ASSI { 1267} (( segid B and resid 102 and name HN )) ( segid B and resid 101 and name HD% ) 3.600 1.600 1.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 8.525 ppm2 7.257 CV 1 OR { 1267} (( segid A and resid 102 and name HN )) ( segid A and resid 101 and name HD% ) ASSI { 1268} (( segid A and resid 101 and name HN )) ( segid A and resid 101 and name HD% ) 3.200 1.300 1.300 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.14716E-02 ppm1 9.595 ppm2 7.259 CV 1 OR { 1268} (( segid B and resid 101 and name HN )) ( segid B and resid 101 and name HD% ) ASSI { 1271} (( segid B and resid 25 and name HN )) ( segid B and resid 61 and name HE% ) 4.300 2.300 1.700 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.48737E-03 ppm1 8.442 ppm2 7.266 CV 1 OR { 1271} (( segid A and resid 25 and name HN )) ( segid A and resid 61 and name HE% ) ASSI { 1272} (( segid B and resid 103 and name HN )) ( segid B and resid 101 and name HD% ) 3.900 1.900 1.900 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.59471E-03 ppm1 8.074 ppm2 7.267 CV 1 OR { 1272} (( segid A and resid 103 and name HN )) ( segid A and resid 101 and name HD% ) ASSI { 1273} (( segid A and resid 64 and name HE1 )) ( segid A and resid 101 and name HD% ) 3.900 1.900 1.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.77500E-03 ppm1 10.656 ppm2 7.269 CV 1 OR { 1273} (( segid B and resid 64 and name HE1 )) ( segid B and resid 101 and name HD% ) ASSI { 1274} (( segid B and resid 26 and name HN )) ( segid B and resid 61 and name HE% ) 3.500 1.500 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 8.398 ppm2 7.271 CV 1 OR { 1274} (( segid A and resid 26 and name HN )) ( segid A and resid 61 and name HE% ) ASSI { 1275} (( segid B and resid 86 and name HN )) ( segid B and resid 61 and name HE% ) 3.100 1.200 1.200 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.72032E-03 ppm1 9.305 ppm2 7.273 CV 1 OR { 1275} (( segid A and resid 86 and name HN )) ( segid A and resid 61 and name HE% ) ASSI { 1276} (( segid A and resid 45 and name HN )) (( segid A and resid 46 and name HN )) 2.900 1.000 1.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 9.093 ppm2 7.274 CV 1 OR { 1276} (( segid B and resid 45 and name HN )) (( segid B and resid 46 and name HN )) ASSI { 1279} (( segid B and resid 85 and name HN )) ( segid B and resid 61 and name HE% ) 3.700 1.700 1.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 8.309 ppm2 7.287 CV 1 OR { 1279} (( segid A and resid 85 and name HN )) ( segid A and resid 61 and name HE% ) ASSI { 1280} (( segid B and resid 83 and name HN )) (( segid B and resid 82 and name HN )) 3.500 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.69070E-03 ppm1 8.700 ppm2 7.321 CV 1 OR { 1280} (( segid A and resid 83 and name HN )) (( segid A and resid 82 and name HN )) ASSI { 1281} (( segid B and resid 81 and name HN )) (( segid B and resid 82 and name HN )) 2.300 0.700 0.700 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.77572E-02 ppm1 7.029 ppm2 7.322 CV 1 OR { 1281} (( segid A and resid 81 and name HN )) (( segid A and resid 82 and name HN )) ASSI { 1285} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HD22)) 5.000 3.100 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.52054E-03 ppm1 7.935 ppm2 7.361 CV 1 OR { 1285} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HD22)) ASSI { 1288} (( segid B and resid 72 and name HN )) (( segid B and resid 71 and name HN )) 2.300 0.600 0.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.57793E-02 ppm1 8.354 ppm2 7.409 CV 1 OR { 1288} (( segid A and resid 72 and name HN )) (( segid A and resid 71 and name HN )) ASSI { 1289} (( segid A and resid 73 and name HN )) (( segid A and resid 71 and name HN )) 3.200 1.300 1.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.16438E-02 ppm1 8.258 ppm2 7.409 CV 1 OR { 1289} (( segid B and resid 73 and name HN )) (( segid B and resid 71 and name HN )) ASSI { 1291} (( segid B and resid 42 and name HE22)) (( segid B and resid 104 and name HZ3 )) 3.000 1.100 1.100 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.76405E-03 ppm1 7.696 ppm2 7.413 CV 1 OR { 1291} (( segid A and resid 42 and name HE22)) (( segid A and resid 104 and name HZ3 )) ASSI { 1292} (( segid B and resid 68 and name HN )) (( segid B and resid 71 and name HN )) 3.500 1.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 9.457 ppm2 7.416 CV 1 OR { 1292} (( segid A and resid 68 and name HN )) (( segid A and resid 71 and name HN )) ASSI { 1293} (( segid A and resid 104 and name HN )) (( segid A and resid 104 and name HZ3 )) 4.200 2.200 1.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.65253E-03 ppm1 8.442 ppm2 7.418 CV 1 OR { 1293} (( segid B and resid 104 and name HN )) (( segid B and resid 104 and name HZ3 )) ASSI { 1294} (( segid A and resid 15 and name HN )) (( segid A and resid 68 and name HD2 )) 3.300 1.300 1.300 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 8.336 ppm2 7.421 CV 1 OR { 1294} (( segid B and resid 15 and name HN )) (( segid B and resid 68 and name HD2 )) ASSI { 1300} (( segid A and resid 64 and name HE1 )) (( segid A and resid 64 and name HH2 )) 3.700 1.700 1.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.24448E-02 ppm1 10.663 ppm2 7.511 CV 1 OR { 1300} (( segid B and resid 64 and name HE1 )) (( segid B and resid 64 and name HH2 )) ASSI { 1301} (( segid B and resid 120 and name HN )) (( segid B and resid 118 and name HN )) 3.400 1.500 1.500 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.18254E-02 ppm1 7.720 ppm2 7.519 CV 1 OR { 1301} (( segid A and resid 120 and name HN )) (( segid A and resid 118 and name HN )) ASSI { 1303} (( segid A and resid 117 and name HN )) (( segid A and resid 118 and name HN )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.17675E-02 ppm1 8.021 ppm2 7.521 CV 1 OR { 1303} (( segid B and resid 117 and name HN )) (( segid B and resid 118 and name HN )) ASSI { 1304} (( segid A and resid 119 and name HN )) (( segid A and resid 118 and name HN )) 2.600 0.900 0.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.33353E-02 ppm1 7.858 ppm2 7.523 CV 1 OR { 1304} (( segid B and resid 119 and name HN )) (( segid B and resid 118 and name HN )) ASSI { 1307} (( segid B and resid 82 and name HN )) (( segid B and resid 85 and name HD2 )) 3.400 1.500 1.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 7.331 ppm2 7.535 CV 1 OR { 1307} (( segid A and resid 82 and name HN )) (( segid A and resid 85 and name HD2 )) ASSI { 8} (( segid B and resid 85 and name HE2 )) (( segid B and resid 88 and name HG1% )) 3.400 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 11.10 ppm2 0.11 CV 1 OR { 8} (( segid A and resid 85 and name HE2 )) (( segid A and resid 88 and name HG1% )) ASSI { 224} (( segid B and resid 85 and name HE2 )) (( segid B and resid 501 and name HM8% )) 3.400 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 11.10 ppm2 1.32 CV 1 OR { 224} (( segid A and resid 85 and name HE2 )) (( segid A and resid 501 and name HM8% )) ASSI { 1308} (( segid A and resid 84 and name HN )) (( segid A and resid 85 and name HD2 )) 3.700 1.700 1.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.71104E-03 ppm1 9.620 ppm2 7.535 CV 1 OR { 1308} (( segid B and resid 84 and name HN )) (( segid B and resid 85 and name HD2 )) ASSI { 1309} (( segid A and resid 85 and name HN )) (( segid A and resid 85 and name HD2 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.16337E-01 ppm1 8.306 ppm2 7.536 CV 1 OR { 1309} (( segid B and resid 85 and name HN )) (( segid B and resid 85 and name HD2 )) ASSI { 1311} (( segid B and resid 48 and name HN )) (( segid B and resid 49 and name HN )) 2.400 0.700 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.49321E-02 ppm1 8.168 ppm2 7.544 CV 1 OR { 1311} (( segid A and resid 48 and name HN )) (( segid A and resid 49 and name HN )) ASSI { 1317} (( segid A and resid 49 and name HE21)) (( segid A and resid 49 and name HE22)) 1.300 0.200 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.11912E+00 ppm1 6.853 ppm2 7.563 CV 1 OR { 1317} (( segid B and resid 49 and name HE21)) (( segid B and resid 49 and name HE22)) ASSI { 1320} (( segid B and resid 77 and name HN )) (( segid B and resid 75 and name HN )) 3.600 1.600 1.600 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.78846E-03 ppm1 7.877 ppm2 7.642 CV 1 OR { 1320} (( segid A and resid 77 and name HN )) (( segid A and resid 75 and name HN )) ASSI { 1321} (( segid B and resid 76 and name HN )) (( segid B and resid 75 and name HN )) 2.900 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 8.498 ppm2 7.644 CV 1 OR { 1321} (( segid A and resid 76 and name HN )) (( segid A and resid 75 and name HN )) ASSI { 1326} (( segid A and resid 33 and name HN )) (( segid A and resid 34 and name HN )) 2.200 0.600 0.600 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.94700E-02 ppm1 7.747 ppm2 7.658 CV 1 OR { 1326} (( segid B and resid 33 and name HN )) (( segid B and resid 34 and name HN )) ASSI { 1330} (( segid B and resid 26 and name HN )) ( segid B and resid 61 and name HD% ) 4.100 2.100 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.73976E-03 ppm1 8.396 ppm2 7.711 CV 1 OR { 1330} (( segid A and resid 26 and name HN )) ( segid A and resid 61 and name HD% ) ASSI { 1332} (( segid B and resid 23 and name HN )) ( segid B and resid 61 and name HD% ) 3.900 1.900 1.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.64266E-03 ppm1 9.671 ppm2 7.716 CV 1 OR { 1332} (( segid A and resid 23 and name HN )) ( segid A and resid 61 and name HD% ) ASSI { 1334} (( segid A and resid 86 and name HN )) ( segid A and resid 61 and name HD% ) 3.400 1.400 1.400 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.88215E-03 ppm1 9.305 ppm2 7.717 CV 1 OR { 1334} (( segid B and resid 86 and name HN )) ( segid B and resid 61 and name HD% ) ASSI { 1336} (( segid A and resid 93 and name HN )) (( segid A and resid 92 and name HN )) 3.700 1.700 1.700 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.16653E-02 ppm1 8.443 ppm2 7.723 CV 1 OR { 1336} (( segid B and resid 93 and name HN )) (( segid B and resid 92 and name HN )) ASSI { 1339} (( segid B and resid 75 and name HN )) (( segid B and resid 74 and name HN )) 2.500 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.41186E-02 ppm1 7.655 ppm2 7.727 CV 1 OR { 1339} (( segid A and resid 75 and name HN )) (( segid A and resid 74 and name HN )) ASSI { 1340} (( segid A and resid 78 and name HN )) (( segid A and resid 74 and name HN )) 3.300 3.300 2.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.46877E-03 ppm1 7.153 ppm2 7.730 CV 1 OR { 1340} (( segid B and resid 78 and name HN )) (( segid B and resid 74 and name HN )) ASSI { 1341} (( segid A and resid 71 and name HN )) (( segid A and resid 74 and name HN )) 3.900 1.900 1.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.56721E-03 ppm1 7.414 ppm2 7.733 CV 1 OR { 1341} (( segid B and resid 71 and name HN )) (( segid B and resid 74 and name HN )) ASSI { 1342} (( segid A and resid 121 and name HN )) (( segid A and resid 120 and name HN )) 2.500 0.800 0.800 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.47926E-02 ppm1 8.061 ppm2 7.734 CV 1 OR { 1342} (( segid B and resid 121 and name HN )) (( segid B and resid 120 and name HN )) ASSI { 1343} (( segid B and resid 73 and name HN )) (( segid B and resid 74 and name HN )) 2.500 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.52745E-02 ppm1 8.260 ppm2 7.737 CV 1 OR { 1343} (( segid A and resid 73 and name HN )) (( segid A and resid 74 and name HN )) ASSI { 1346} (( segid B and resid 25 and name HN )) (( segid B and resid 60 and name HN )) 4.100 2.100 1.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.51465E-03 ppm1 8.451 ppm2 7.740 CV 1 OR { 1346} (( segid A and resid 25 and name HN )) (( segid A and resid 60 and name HN )) ASSI { 1349} (( segid B and resid 57 and name HN )) (( segid B and resid 60 and name HN )) 3.200 1.300 1.300 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 8.556 ppm2 7.751 CV 1 OR { 1349} (( segid A and resid 57 and name HN )) (( segid A and resid 60 and name HN )) ASSI { 1350} (( segid A and resid 30 and name HN )) (( segid A and resid 33 and name HN )) 3.900 1.900 1.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.56933E-03 ppm1 9.302 ppm2 7.752 CV 1 OR { 1350} (( segid B and resid 30 and name HN )) (( segid B and resid 33 and name HN )) ASSI { 1353} (( segid B and resid 58 and name HN )) (( segid B and resid 60 and name HN )) 4.200 2.200 1.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.37830E-03 ppm1 9.288 ppm2 7.770 CV 1 OR { 1353} (( segid A and resid 58 and name HN )) (( segid A and resid 60 and name HN )) ASSI { 1354} (( segid A and resid 105 and name HN )) (( segid A and resid 54 and name HN )) 3.900 1.900 1.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.55406E-03 ppm1 6.317 ppm2 7.772 CV 1 OR { 1354} (( segid B and resid 105 and name HN )) (( segid B and resid 54 and name HN )) ASSI { 1359} (( segid B and resid 116 and name HN )) (( segid B and resid 114 and name HN )) 3.500 1.500 1.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 8.054 ppm2 7.784 CV 1 OR { 1359} (( segid A and resid 116 and name HN )) (( segid A and resid 114 and name HN )) ASSI { 1364} (( segid A and resid 40 and name HN )) (( segid A and resid 41 and name HN )) 2.900 1.100 1.100 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 8.087 ppm2 7.794 CV 1 OR { 1364} (( segid B and resid 40 and name HN )) (( segid B and resid 41 and name HN )) ASSI { 1370} (( segid A and resid 38 and name HN )) (( segid A and resid 41 and name HN )) 3.700 1.700 1.700 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.79791E-03 ppm1 8.440 ppm2 7.804 CV 1 OR { 1370} (( segid B and resid 38 and name HN )) (( segid B and resid 41 and name HN )) ASSI { 1372} (( segid B and resid 120 and name HN )) (( segid B and resid 119 and name HN )) 2.300 0.700 0.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.60216E-02 ppm1 7.720 ppm2 7.848 CV 1 OR { 1372} (( segid A and resid 120 and name HN )) (( segid A and resid 119 and name HN )) ASSI { 1374} (( segid B and resid 97 and name HN )) (( segid B and resid 96 and name HN )) 4.200 2.200 1.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.46224E-03 ppm1 8.587 ppm2 7.851 CV 1 OR { 1374} (( segid A and resid 97 and name HN )) (( segid A and resid 96 and name HN )) ASSI { 1375} (( segid A and resid 114 and name HN )) (( segid A and resid 115 and name HN )) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.50379E-02 ppm1 7.792 ppm2 7.853 CV 1 OR { 1375} (( segid B and resid 114 and name HN )) (( segid B and resid 115 and name HN )) ASSI { 1376} (( segid B and resid 98 and name HN )) (( segid B and resid 96 and name HN )) 4.100 2.100 1.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.65445E-03 ppm1 7.371 ppm2 7.854 CV 1 OR { 1376} (( segid A and resid 98 and name HN )) (( segid A and resid 96 and name HN )) ASSI { 1377} (( segid A and resid 121 and name HN )) (( segid A and resid 119 and name HN )) 3.700 1.700 1.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.14242E-02 ppm1 8.059 ppm2 7.858 CV 1 OR { 1377} (( segid B and resid 121 and name HN )) (( segid B and resid 119 and name HN )) ASSI { 1379} (( segid A and resid 95 and name HN )) (( segid A and resid 96 and name HN )) 3.800 1.800 1.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.10592E-02 ppm1 8.769 ppm2 7.860 CV 1 OR { 1379} (( segid B and resid 95 and name HN )) (( segid B and resid 96 and name HN )) ASSI { 1380} (( segid A and resid 116 and name HN )) (( segid A and resid 115 and name HN )) 2.900 1.100 1.100 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.21431E-02 ppm1 8.052 ppm2 7.862 CV 1 OR { 1380} (( segid B and resid 116 and name HN )) (( segid B and resid 115 and name HN )) ASSI { 1384} (( segid A and resid 117 and name HN )) (( segid A and resid 115 and name HN )) 3.700 1.700 1.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 8.017 ppm2 7.867 CV 1 OR { 1384} (( segid B and resid 117 and name HN )) (( segid B and resid 115 and name HN )) ASSI { 1387} (( segid B and resid 16 and name HN )) (( segid B and resid 96 and name HN )) 2.900 1.100 1.100 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.16291E-02 ppm1 8.089 ppm2 7.881 CV 1 OR { 1387} (( segid A and resid 16 and name HN )) (( segid A and resid 96 and name HN )) ASSI { 1393} (( segid A and resid 22 and name HE )) (( segid A and resid 88 and name HN)) 4.700 2.700 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.40960E-03 ppm1 7.268 ppm2 7.897 CV 1 OR { 1393} (( segid B and resid 22 and name HE )) (( segid B and resid 88 and name HN)) ASSI { 1401} (( segid B and resid 84 and name HE )) (( segid B and resid 501 and name H9 )) 4.100 2.100 1.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.43742E-03 ppm1 9.077 ppm2 7.983 CV 1 OR { 1401} (( segid A and resid 84 and name HE )) (( segid A and resid 501 and name H9 )) ASSI { 1406} (( segid A and resid 119 and name HN )) (( segid A and resid 117 and name HN )) 3.900 1.900 1.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.77625E-03 ppm1 7.855 ppm2 7.998 CV 1 OR { 1406} (( segid B and resid 119 and name HN )) (( segid B and resid 117 and name HN )) ASSI { 1414} (( segid A and resid 122 and name HN )) (( segid A and resid 121 and name HN )) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.29096E-02 ppm1 8.330 ppm2 8.053 CV 1 OR { 1414} (( segid B and resid 122 and name HN )) (( segid B and resid 121 and name HN )) ASSI { 1417} (( segid B and resid 104 and name HN )) (( segid B and resid 103 and name HN )) 3.500 1.600 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.15355E-02 ppm1 8.440 ppm2 8.067 CV 1 OR { 1417} (( segid A and resid 104 and name HN )) (( segid A and resid 103 and name HN )) ASSI { 1418} (( segid B and resid 102 and name HN )) (( segid B and resid 103 and name HN )) 3.000 1.100 1.100 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.19244E-02 ppm1 8.525 ppm2 8.071 CV 1 OR { 1418} (( segid A and resid 102 and name HN )) (( segid A and resid 103 and name HN )) ASSI { 1420} (( segid B and resid 39 and name HN )) (( segid B and resid 40 and name HN )) 3.300 1.300 1.300 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.99983E-03 ppm1 8.796 ppm2 8.078 CV 1 OR { 1420} (( segid A and resid 39 and name HN )) (( segid A and resid 40 and name HN )) ASSI { 1426} (( segid A and resid 15 and name HN )) (( segid A and resid 16 and name HN )) 2.200 0.600 0.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.11166E-01 ppm1 8.340 ppm2 8.090 CV 1 OR { 1426} (( segid B and resid 15 and name HN )) (( segid B and resid 16 and name HN )) ASSI { 1428} (( segid A and resid 10 and name HN )) (( segid A and resid 9 and name HN )) 2.200 0.600 0.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.10453E-01 ppm1 8.314 ppm2 8.106 CV 1 OR { 1428} (( segid B and resid 10 and name HN )) (( segid B and resid 9 and name HN )) ASSI { 1429} (( segid A and resid 8 and name HN )) (( segid A and resid 9 and name HN )) 2.400 2.400 3.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.97859E-02 ppm1 8.267 ppm2 8.117 CV 1 OR { 1429} (( segid B and resid 8 and name HN )) (( segid B and resid 9 and name HN )) ASSI { 1432} (( segid B and resid 114 and name HN )) (( segid B and resid 113 and name HN )) 3.100 1.200 1.200 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.18479E-02 ppm1 7.792 ppm2 8.151 CV 1 OR { 1432} (( segid A and resid 114 and name HN )) (( segid A and resid 113 and name HN )) ASSI { 1436} (( segid A and resid 47 and name HN )) (( segid A and resid 48 and name HN )) 2.200 0.600 0.600 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.93557E-02 ppm1 7.173 ppm2 8.157 CV 1 OR { 1436} (( segid B and resid 47 and name HN )) (( segid B and resid 48 and name HN )) ASSI { 1438} (( segid A and resid 50 and name HN )) (( segid A and resid 48 and name HN )) 3.800 1.800 1.800 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.89854E-03 ppm1 8.994 ppm2 8.158 CV 1 OR { 1438} (( segid B and resid 50 and name HN )) (( segid B and resid 48 and name HN )) ASSI { 1439} (( segid B and resid 46 and name HN )) (( segid B and resid 48 and name HN )) 3.400 1.500 1.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 7.283 ppm2 8.162 CV 1 OR { 1439} (( segid A and resid 46 and name HN )) (( segid A and resid 48 and name HN )) ASSI { 1443} (( segid A and resid 33 and name HN )) (( segid A and resid 32 and name HN )) 2.600 0.800 0.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.47443E-02 ppm1 7.753 ppm2 8.196 CV 1 OR { 1443} (( segid B and resid 33 and name HN )) (( segid B and resid 32 and name HN )) ASSI { 1444} (( segid A and resid 45 and name HN )) (( segid A and resid 44 and name HN )) 2.800 1.000 1.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.24840E-02 ppm1 9.092 ppm2 8.197 CV 1 OR { 1444} (( segid B and resid 45 and name HN )) (( segid B and resid 44 and name HN )) ASSI { 1445} (( segid A and resid 15 and name HN )) (( segid A and resid 14 and name HN )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.27958E-02 ppm1 8.335 ppm2 8.197 CV 1 OR { 1445} (( segid B and resid 15 and name HN )) (( segid B and resid 14 and name HN )) ASSI { 1452} (( segid B and resid 72 and name HN )) (( segid B and resid 73 and name HN )) 2.300 0.600 0.600 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.56793E-02 ppm1 8.356 ppm2 8.258 CV 1 OR { 1452} (( segid A and resid 72 and name HN )) (( segid A and resid 73 and name HN )) ASSI { 1455} (( segid B and resid 83 and name HN )) (( segid B and resid 85 and name HN )) 3.900 1.900 1.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.77883E-03 ppm1 8.708 ppm2 8.294 CV 1 OR { 1455} (( segid A and resid 83 and name HN )) (( segid A and resid 85 and name HN )) ASSI { 1471} (( segid B and resid 125 and name HN )) (( segid B and resid 124 and name HN )) 2.900 1.000 1.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.35906E-02 ppm1 7.989 ppm2 8.337 CV 1 OR { 1471} (( segid A and resid 125 and name HN )) (( segid A and resid 124 and name HN )) ASSI { 1476} (( segid A and resid 28 and name HN )) (( segid A and resid 26 and name HN )) 3.300 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 8.317 ppm2 8.386 CV 1 OR { 1476} (( segid B and resid 28 and name HN )) (( segid B and resid 26 and name HN )) ASSI { 1477} (( segid A and resid 85 and name HN )) (( segid A and resid 26 and name HN )) 3.000 1.200 1.200 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.32996E-02 ppm1 8.305 ppm2 8.387 CV 1 OR { 1477} (( segid B and resid 85 and name HN )) (( segid B and resid 26 and name HN )) ASSI { 1482} (( segid A and resid 39 and name HN )) (( segid A and resid 38 and name HN )) 3.200 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 8.798 ppm2 8.432 CV 1 OR { 1482} (( segid B and resid 39 and name HN )) (( segid B and resid 38 and name HN )) ASSI { 1483} (( segid A and resid 80 and name HE22)) (( segid A and resid 80 and name HN )) 3.100 1.200 1.200 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.61125E-03 ppm1 6.846 ppm2 8.434 CV 1 OR { 1483} (( segid B and resid 80 and name HE22)) (( segid B and resid 80 and name HN )) ASSI { 1485} (( segid A and resid 81 and name HN )) (( segid A and resid 80 and name HN )) 2.600 0.800 0.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.33444E-02 ppm1 7.028 ppm2 8.437 CV 1 OR { 1485} (( segid B and resid 81 and name HN )) (( segid B and resid 80 and name HN )) ASSI { 1487} (( segid A and resid 105 and name HN )) (( segid A and resid 104 and name HN )) 4.600 2.700 1.400 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.41282E-03 ppm1 6.312 ppm2 8.438 CV 1 OR { 1487} (( segid B and resid 105 and name HN )) (( segid B and resid 104 and name HN )) ASSI { 1493} (( segid B and resid 82 and name HN )) (( segid B and resid 80 and name HN )) 3.900 1.900 1.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.66767E-03 ppm1 7.333 ppm2 8.444 CV 1 OR { 1493} (( segid A and resid 82 and name HN )) (( segid A and resid 80 and name HN )) ASSI { 1494} (( segid B and resid 37 and name HN )) (( segid B and resid 38 and name HN )) 2.700 0.900 0.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.27888E-02 ppm1 7.892 ppm2 8.445 CV 1 OR { 1494} (( segid A and resid 37 and name HN )) (( segid A and resid 38 and name HN )) ASSI { 1498} (( segid B and resid 78 and name HN )) (( segid B and resid 80 and name HN )) 3.500 1.600 1.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 7.158 ppm2 8.450 CV 1 OR { 1498} (( segid A and resid 78 and name HN )) (( segid A and resid 80 and name HN )) ASSI { 1500} (( segid B and resid 77 and name HN )) (( segid B and resid 76 and name HN )) 2.500 0.800 0.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.39584E-02 ppm1 7.878 ppm2 8.491 CV 1 OR { 1500} (( segid A and resid 77 and name HN )) (( segid A and resid 76 and name HN )) ASSI { 1501} (( segid B and resid 74 and name HN )) (( segid B and resid 76 and name HN )) 3.700 1.700 1.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.79989E-03 ppm1 7.744 ppm2 8.491 CV 1 OR { 1501} (( segid A and resid 74 and name HN )) (( segid A and resid 76 and name HN )) ASSI { 1503} (( segid B and resid 101 and name HN )) (( segid B and resid 102 and name HN )) 3.700 1.800 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.46892E-03 ppm1 9.594 ppm2 8.504 CV 1 OR { 1503} (( segid A and resid 101 and name HN )) (( segid A and resid 102 and name HN )) ASSI { 1504} (( segid A and resid 98 and name HN )) (( segid A and resid 99 and name HN )) 3.200 1.300 1.300 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 7.370 ppm2 8.510 CV 1 OR { 1504} (( segid B and resid 98 and name HN )) (( segid B and resid 99 and name HN )) ASSI { 1509} (( segid A and resid 81 and name HN )) (( segid A and resid 79 and name HN )) 3.800 1.800 1.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.59767E-03 ppm1 7.027 ppm2 8.555 CV 1 OR { 1509} (( segid B and resid 81 and name HN )) (( segid B and resid 79 and name HN )) ASSI { 1510} (( segid A and resid 78 and name HN )) (( segid A and resid 79 and name HN )) 2.400 0.700 0.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.44846E-02 ppm1 7.158 ppm2 8.557 CV 1 OR { 1510} (( segid B and resid 78 and name HN )) (( segid B and resid 79 and name HN )) ASSI { 1511} (( segid B and resid 80 and name HN )) (( segid B and resid 79 and name HN )) 2.700 0.900 0.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 8.443 ppm2 8.559 CV 1 OR { 1511} (( segid A and resid 80 and name HN )) (( segid A and resid 79 and name HN )) ASSI { 1512} (( segid A and resid 37 and name HN )) (( segid A and resid 36 and name HN )) 2.800 1.000 1.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 7.895 ppm2 8.565 CV 1 OR { 1512} (( segid B and resid 37 and name HN )) (( segid B and resid 36 and name HN )) ASSI { 1514} (( segid B and resid 38 and name HN )) (( segid B and resid 36 and name HN )) 3.800 1.800 1.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.82800E-03 ppm1 8.440 ppm2 8.570 CV 1 OR { 1514} (( segid A and resid 38 and name HN )) (( segid A and resid 36 and name HN )) ASSI { 1515} (( segid B and resid 68 and name HN )) (( segid B and resid 67 and name HN )) 4.100 2.100 1.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.64685E-03 ppm1 9.456 ppm2 8.571 CV 1 OR { 1515} (( segid A and resid 68 and name HN )) (( segid A and resid 67 and name HN )) ASSI { 1516} (( segid A and resid 33 and name HN )) (( segid A and resid 35 and name HN )) 3.800 1.800 1.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.82998E-03 ppm1 7.753 ppm2 8.575 CV 1 OR { 1516} (( segid B and resid 33 and name HN )) (( segid B and resid 35 and name HN )) ASSI { 1517} (( segid B and resid 98 and name HN )) (( segid B and resid 97 and name HN )) 2.300 0.700 0.700 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.61059E-02 ppm1 7.370 ppm2 8.579 CV 1 OR { 1517} (( segid A and resid 98 and name HN )) (( segid A and resid 97 and name HN )) ASSI { 1519} (( segid B and resid 17 and name HN )) (( segid B and resid 67 and name HN )) 2.500 0.800 0.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.30394E-02 ppm1 9.113 ppm2 8.580 CV 1 OR { 1519} (( segid A and resid 17 and name HN )) (( segid A and resid 67 and name HN )) ASSI { 1522} (( segid A and resid 34 and name HN )) (( segid A and resid 35 and name HN )) 3.100 1.200 1.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 7.662 ppm2 8.593 CV 1 OR { 1522} (( segid B and resid 34 and name HN )) (( segid B and resid 35 and name HN )) ASSI { 1526} (( segid B and resid 92 and name HN )) (( segid B and resid 22 and name HN )) 2.900 2.900 3.100 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.10206E-02 ppm1 7.735 ppm2 8.689 CV 1 OR { 1526} (( segid A and resid 92 and name HN )) (( segid A and resid 22 and name HN )) ASSI { 1530} (( segid A and resid 89 and name HN )) (( segid A and resid 90 and name HN )) 3.500 1.500 1.500 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 9.608 ppm2 8.696 CV 1 OR { 1530} (( segid B and resid 89 and name HN )) (( segid B and resid 90 and name HN )) ASSI { 1532} (( segid A and resid 80 and name HE22)) (( segid A and resid 90 and name HN )) 4.300 2.300 1.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.48198E-03 ppm1 6.844 ppm2 8.706 CV 1 OR { 1532} (( segid B and resid 80 and name HE22)) (( segid B and resid 90 and name HN )) ASSI { 1533} (( segid B and resid 18 and name HN )) (( segid B and resid 94 and name HN )) 2.800 1.000 1.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 9.025 ppm2 8.707 CV 1 OR { 1533} (( segid A and resid 18 and name HN )) (( segid A and resid 94 and name HN )) ASSI { 1534} (( segid A and resid 93 and name HN )) (( segid A and resid 94 and name HN )) 3.200 1.300 1.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.22235E-02 ppm1 8.443 ppm2 8.715 CV 1 OR { 1534} (( segid B and resid 93 and name HN )) (( segid B and resid 94 and name HN )) ASSI { 1537} (( segid A and resid 41 and name HN )) (( segid A and resid 42 and name HN )) 3.100 1.200 1.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 7.806 ppm2 8.732 CV 1 OR { 1537} (( segid B and resid 41 and name HN )) (( segid B and resid 42 and name HN )) ASSI { 1538} (( segid B and resid 25 and name HN )) (( segid B and resid 61 and name HN )) 3.500 1.600 1.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.91625E-03 ppm1 8.447 ppm2 8.734 CV 1 OR { 1538} (( segid A and resid 25 and name HN )) (( segid A and resid 61 and name HN )) ASSI { 1539} (( segid B and resid 23 and name HN )) (( segid B and resid 61 and name HN )) 3.000 1.100 1.100 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.17321E-02 ppm1 9.673 ppm2 8.740 CV 1 OR { 1539} (( segid A and resid 23 and name HN )) (( segid A and resid 61 and name HN )) ASSI { 1541} (( segid A and resid 92 and name HN )) (( segid A and resid 20 and name HN )) 2.700 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.33393E-02 ppm1 7.733 ppm2 8.751 CV 1 OR { 1541} (( segid B and resid 92 and name HN )) (( segid B and resid 20 and name HN )) ASSI { 1549} (( segid A and resid 41 and name HN )) (( segid A and resid 39 and name HN )) 3.700 1.700 1.700 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.68514E-03 ppm1 7.805 ppm2 8.789 CV 1 OR { 1549} (( segid B and resid 41 and name HN )) (( segid B and resid 39 and name HN )) ASSI { 1553} (( segid A and resid 25 and name HN )) (( segid A and resid 24 and name HN )) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 8.444 ppm2 8.811 CV 1 OR { 1553} (( segid B and resid 25 and name HN )) (( segid B and resid 24 and name HN )) ASSI { 1554} (( segid A and resid 89 and name HN )) (( segid A and resid 24 and name HN )) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.34609E-03 ppm1 9.607 ppm2 8.819 CV 1 OR { 1554} (( segid B and resid 89 and name HN )) (( segid B and resid 24 and name HN )) ASSI { 1555} (( segid A and resid 88 and name HN )) (( segid A and resid 24 and name HN )) 3.700 1.700 1.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.61825E-03 ppm1 7.933 ppm2 8.826 CV 1 OR { 1555} (( segid B and resid 88 and name HN )) (( segid B and resid 24 and name HN )) ASSI { 1556} (( segid A and resid 86 and name HN )) (( segid A and resid 24 and name HN )) 3.100 1.200 1.200 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 9.305 ppm2 8.831 CV 1 OR { 1556} (( segid B and resid 86 and name HN )) (( segid B and resid 24 and name HN )) ASSI { 1557} (( segid A and resid 30 and name HN )) (( segid A and resid 31 and name HN )) 4.100 2.100 1.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34441E-03 ppm1 9.314 ppm2 8.842 CV 1 OR { 1557} (( segid B and resid 30 and name HN )) (( segid B and resid 31 and name HN )) ASSI { 1559} (( segid B and resid 32 and name HN )) (( segid B and resid 31 and name HN )) 3.000 1.100 1.100 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.19603E-02 ppm1 8.205 ppm2 8.855 CV 1 OR { 1559} (( segid A and resid 32 and name HN )) (( segid A and resid 31 and name HN )) ASSI { 1560} (( segid B and resid 33 and name HN )) (( segid B and resid 31 and name HN )) 3.700 1.700 1.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.77595E-03 ppm1 7.753 ppm2 8.856 CV 1 OR { 1560} (( segid A and resid 33 and name HN )) (( segid A and resid 31 and name HN )) ASSI { 1564} (( segid A and resid 51 and name HN )) (( segid A and resid 66 and name HN )) 3.200 1.300 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 8.777 ppm2 8.909 CV 1 OR { 1564} (( segid B and resid 51 and name HN )) (( segid B and resid 66 and name HN )) ASSI { 1566} (( segid B and resid 87 and name HD21)) (( segid B and resid 87 and name HN )) 3.600 1.600 1.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.43325E-03 ppm1 6.921 ppm2 8.916 CV 1 OR { 1566} (( segid A and resid 87 and name HD21)) (( segid A and resid 87 and name HN )) ASSI { 1567} (( segid B and resid 88 and name HN )) (( segid B and resid 87 and name HN )) 2.400 0.700 0.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.48083E-02 ppm1 7.933 ppm2 8.919 CV 1 OR { 1567} (( segid A and resid 88 and name HN )) (( segid A and resid 87 and name HN )) ASSI { 1569} (( segid A and resid 87 and name HD22)) (( segid A and resid 87 and name HN )) 4.900 3.000 1.100 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.49409E-03 ppm1 7.372 ppm2 8.926 CV 1 OR { 1569} (( segid B and resid 87 and name HD22)) (( segid B and resid 87 and name HN )) ASSI { 1574} (( segid B and resid 51 and name HN )) (( segid B and resid 50 and name HN )) 3.900 1.900 1.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.96740E-03 ppm1 8.781 ppm2 8.991 CV 1 OR { 1574} (( segid A and resid 51 and name HN )) (( segid A and resid 50 and name HN )) ASSI { 1575} (( segid A and resid 49 and name HN )) (( segid A and resid 50 and name HN )) 2.500 0.800 0.800 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.58871E-02 ppm1 7.551 ppm2 8.991 CV 1 OR { 1575} (( segid B and resid 49 and name HN )) (( segid B and resid 50 and name HN )) ASSI { 1576} (( segid A and resid 19 and name HN )) (( segid A and resid 18 and name HN )) 4.200 2.200 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.61149E-03 ppm1 9.419 ppm2 9.007 CV 1 OR { 1576} (( segid B and resid 19 and name HN )) (( segid B and resid 18 and name HN )) ASSI { 1578} (( segid A and resid 96 and name HN )) (( segid A and resid 18 and name HN )) 3.700 1.700 1.700 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 7.867 ppm2 9.021 CV 1 OR { 1578} (( segid B and resid 96 and name HN )) (( segid B and resid 18 and name HN )) ASSI { 1582} (( segid A and resid 103 and name HN )) (( segid A and resid 52 and name HN )) 4.200 2.200 1.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.37592E-03 ppm1 8.065 ppm2 9.067 CV 1 OR { 1582} (( segid B and resid 103 and name HN )) (( segid B and resid 52 and name HN )) ASSI { 1586} (( segid A and resid 84 and name HN )) (( segid A and resid 84 and name HE )) 3.700 1.700 1.700 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.90698E-03 ppm1 9.603 ppm2 9.080 CV 1 OR { 1586} (( segid B and resid 84 and name HN )) (( segid B and resid 84 and name HE )) ASSI { 1590} (( segid A and resid 16 and name HN )) (( segid A and resid 17 and name HN )) 3.600 1.600 1.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.22707E-02 ppm1 8.095 ppm2 9.098 CV 1 OR { 1590} (( segid B and resid 16 and name HN )) (( segid B and resid 17 and name HN )) ASSI { 1592} (( segid A and resid 68 and name HN )) (( segid A and resid 17 and name HN )) 4.200 2.200 1.800 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.50343E-03 ppm1 9.445 ppm2 9.107 CV 1 OR { 1592} (( segid B and resid 68 and name HN )) (( segid B and resid 17 and name HN )) ASSI { 1594} (( segid B and resid 59 and name HN )) (( segid B and resid 58 and name HN )) 3.500 1.500 1.500 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.96537E-03 ppm1 6.496 ppm2 9.275 CV 1 OR { 1594} (( segid A and resid 59 and name HN )) (( segid A and resid 58 and name HN )) ASSI { 1595} (( segid B and resid 57 and name HN )) (( segid B and resid 58 and name HN )) 4.000 2.000 2.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.37426E-03 ppm1 8.552 ppm2 9.285 CV 1 OR { 1595} (( segid A and resid 57 and name HN )) (( segid A and resid 58 and name HN )) ASSI { 1596} (( segid A and resid 29 and name HN )) (( segid A and resid 30 and name HN )) 3.400 1.400 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.96770E-03 ppm1 7.128 ppm2 9.297 CV 1 OR { 1596} (( segid B and resid 29 and name HN )) (( segid B and resid 30 and name HN )) ASSI { 1597} (( segid A and resid 87 and name HN )) (( segid A and resid 86 and name HN )) 3.600 1.600 1.600 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.47410E-03 ppm1 8.924 ppm2 9.303 CV 1 OR { 1597} (( segid B and resid 87 and name HN )) (( segid B and resid 86 and name HN )) ASSI { 1598} (( segid B and resid 26 and name HN )) (( segid B and resid 86 and name HN )) 3.300 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.90931E-03 ppm1 8.402 ppm2 9.305 CV 1 OR { 1598} (( segid A and resid 26 and name HN )) (( segid A and resid 86 and name HN )) ASSI { 1603} (( segid B and resid 85 and name HN )) (( segid B and resid 86 and name HN )) 3.800 1.800 1.800 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.10176E-02 ppm1 8.310 ppm2 9.329 CV 1 OR { 1603} (( segid A and resid 85 and name HN )) (( segid A and resid 86 and name HN )) ASSI { 1604} (( segid B and resid 22 and name HN )) (( segid B and resid 91 and name HN )) 4.100 2.100 1.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.67102E-03 ppm1 8.687 ppm2 9.342 CV 1 OR { 1604} (( segid A and resid 22 and name HN )) (( segid A and resid 91 and name HN )) ASSI { 1605} (( segid B and resid 92 and name HN )) (( segid B and resid 91 and name HN )) 2.300 0.700 0.700 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.58775E-02 ppm1 7.735 ppm2 9.351 CV 1 OR { 1605} (( segid A and resid 92 and name HN )) (( segid A and resid 91 and name HN )) ASSI { 1616} (( segid A and resid 100 and name HN )) (( segid A and resid 101 and name HN )) 3.500 1.500 1.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.83883E-03 ppm1 11.651 ppm2 9.593 CV 1 OR { 1616} (( segid B and resid 100 and name HN )) (( segid B and resid 101 and name HN )) ASSI { 1621} (( segid B and resid 22 and name HN )) (( segid B and resid 89 and name HN )) 3.300 1.400 1.400 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.94191E-03 ppm1 8.687 ppm2 9.599 CV 1 OR { 1621} (( segid A and resid 22 and name HN )) (( segid A and resid 89 and name HN )) ASSI { 1622} (( segid A and resid 83 and name HN )) (( segid A and resid 84 and name HN )) 3.000 1.100 1.100 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.19484E-02 ppm1 8.704 ppm2 9.602 CV 1 OR { 1622} (( segid B and resid 83 and name HN )) (( segid B and resid 84 and name HN )) ASSI { 1623} (( segid B and resid 88 and name HN )) (( segid B and resid 89 and name HN )) 3.100 1.200 1.200 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.13775E-02 ppm1 7.936 ppm2 9.602 CV 1 OR { 1623} (( segid A and resid 88 and name HN )) (( segid A and resid 89 and name HN )) ASSI { 1624} (( segid B and resid 85 and name HN )) (( segid B and resid 84 and name HN )) 2.800 1.000 1.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.37182E-02 ppm1 8.306 ppm2 9.603 CV 1 OR { 1624} (( segid A and resid 85 and name HN )) (( segid A and resid 84 and name HN )) ASSI { 1631} (( segid B and resid 71 and name HN )) (( segid B and resid 70 and name HN )) 2.700 0.900 0.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.27683E-02 ppm1 7.414 ppm2 10.299 CV 1 OR { 1631} (( segid A and resid 71 and name HN )) (( segid A and resid 70 and name HN )) ASSI { 1634} (( segid B and resid 85 and name HN )) (( segid B and resid 85 and name HE2 )) 3.400 1.400 1.400 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.88789E-03 ppm1 8.312 ppm2 11.104 CV 1 OR { 1634} (( segid A and resid 85 and name HN )) (( segid A and resid 85 and name HE2 )) ASSI { 1639} (( segid B and resid 99 and name HN )) (( segid B and resid 100 and name HN )) 3.800 1.800 1.800 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.43684E-03 ppm1 8.512 ppm2 11.650 CV 1 OR { 1639} (( segid A and resid 99 and name HN )) (( segid A and resid 100 and name HN )) ASSI { 5} ( segid A and resid 88 and name HG1%) (( segid A and resid 79 and name HG11)) 2.600 2.600 3.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 0.137 ppm2 -0.904 CV 1 OR { 5} ( segid B and resid 88 and name HG1%) (( segid B and resid 79 and name HG11)) ASSI { 7} ( segid B and resid 79 and name HD1%) (( segid B and resid 79 and name HG11)) 2.400 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.46866E-02 ppm1 0.172 ppm2 -0.902 CV 1 OR { 7} ( segid A and resid 79 and name HD1%) (( segid A and resid 79 and name HG11)) ASSI { 9} ( segid B and resid 29 and name HD1%) ( segid B and resid 37 and name HG2%) 2.200 2.200 3.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.55779E-02 ppm1 0.877 ppm2 -0.680 CV 1 OR { 9} ( segid A and resid 29 and name HD1%) ( segid A and resid 37 and name HG2%) ASSI { 12} ( segid B and resid 106 and name HE% ) ( segid B and resid 37 and name HG2%) 2.500 2.500 3.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.21538E-02 ppm1 2.070 ppm2 -0.668 CV 1 OR { 12} ( segid A and resid 106 and name HE% ) ( segid A and resid 37 and name HG2%) ASSI { 13} (( segid B and resid 37 and name HA )) ( segid B and resid 37 and name HG2%) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.29543E-02 ppm1 3.001 ppm2 -0.664 CV 1 OR { 13} (( segid A and resid 37 and name HA )) ( segid A and resid 37 and name HG2%) ASSI { 15} ( segid B and resid 76 and name HE% ) ( segid B and resid 79 and name HG2%) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.86881E-02 ppm1 1.348 ppm2 0.087 CV 1 OR { 15} ( segid A and resid 76 and name HE% ) ( segid A and resid 79 and name HG2%) ASSI { 17} (( segid B and resid 79 and name HA )) ( segid B and resid 79 and name HG2%) 2.600 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.46328E-02 ppm1 3.617 ppm2 0.108 CV 1 OR { 17} (( segid A and resid 79 and name HA )) ( segid A and resid 79 and name HG2%) ASSI { 18} (( segid B and resid 76 and name HA )) ( segid B and resid 79 and name HG2%) 3.500 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.36626E-02 ppm1 4.350 ppm2 0.110 CV 1 OR { 18} (( segid A and resid 76 and name HA )) ( segid A and resid 79 and name HG2%) ASSI { 22} (( segid A and resid 80 and name HG2 )) ( segid A and resid 88 and name HG1%) 3.100 1.200 1.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.34213E-02 ppm1 2.333 ppm2 0.120 CV 1 OR { 22} (( segid B and resid 80 and name HG2 )) ( segid B and resid 88 and name HG1%) ASSI { 24} (( segid A and resid 501 and name H2' )) ( segid A and resid 79 and name HG2%) 2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 4.496 ppm2 0.127 CV 1 OR { 24} (( segid B and resid 501 and name H2' )) ( segid B and resid 79 and name HG2%) OR { 24} (( segid A and resid 501 and name H2' )) ( segid A and resid 79 and name HD1%) ASSI { 28} (( segid B and resid 23 and name HB1 )) ( segid B and resid 88 and name HG1%) 4.000 2.000 2.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.15448E-02 ppm1 3.715 ppm2 0.135 CV 1 OR { 28} (( segid A and resid 23 and name HB1 )) ( segid A and resid 88 and name HG1%) ASSI { 29} (( segid A and resid 88 and name HA )) ( segid A and resid 88 and name HG1%) 3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.49631E-02 ppm1 3.699 ppm2 0.135 CV 1 OR { 29} (( segid B and resid 88 and name HA )) ( segid B and resid 88 and name HG1%) ASSI { 31} (( segid A and resid 80 and name HG1 )) ( segid A and resid 88 and name HG1%) 3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.51218E-02 ppm1 2.051 ppm2 0.136 CV 1 OR { 31} (( segid B and resid 80 and name HG1 )) ( segid B and resid 88 and name HG1%) ASSI { 34} (( segid A and resid 23 and name HB2 )) ( segid A and resid 88 and name HG1%) 3.800 1.800 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.14933E-02 ppm1 3.834 ppm2 0.140 CV 1 OR { 34} (( segid B and resid 23 and name HB2 )) ( segid B and resid 88 and name HG1%) ASSI { 37} ( segid B and resid 76 and name HE% ) ( segid B and resid 79 and name HD1%) 2.200 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10813E-01 ppm1 1.351 ppm2 0.156 CV 1 OR { 37} ( segid A and resid 76 and name HE% ) ( segid A and resid 79 and name HD1%) ASSI { 38} (( segid A and resid 76 and name HB2 )) ( segid A and resid 79 and name HD1%) 4.100 2.100 1.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.17468E-02 ppm1 2.067 ppm2 0.158 CV 1 OR { 38} (( segid B and resid 76 and name HB2 )) ( segid B and resid 79 and name HD1%) ASSI { 39} ( segid A and resid 90 and name HD1%) ( segid A and resid 88 and name HG1%) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.30880E-02 ppm1 0.654 ppm2 0.160 CV 1 OR { 39} ( segid B and resid 90 and name HD1%) ( segid B and resid 88 and name HG1%) ASSI { 43} ( segid B and resid 75 and name HG2%) ( segid B and resid 79 and name HD1%) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.90787E-02 ppm1 0.894 ppm2 0.164 CV 1 OR { 43} ( segid A and resid 75 and name HG2%) ( segid A and resid 79 and name HD1%) ASSI { 45} ( segid A and resid 65 and name HD2%) ( segid A and resid 79 and name HD1%) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.53483E-02 ppm1 0.974 ppm2 0.171 CV 1 OR { 45} ( segid B and resid 65 and name HD2%) ( segid B and resid 79 and name HD1%) ASSI { 47} (( segid B and resid 37 and name HB )) (( segid B and resid 37 and name HG11)) 3.000 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 1.832 ppm2 0.203 CV 1 OR { 47} (( segid A and resid 37 and name HB )) (( segid A and resid 37 and name HG11)) ASSI { 51} (( segid B and resid 80 and name HA )) ( segid B and resid 88 and name HG2%) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.20982E-02 ppm1 3.728 ppm2 0.222 CV 1 OR { 51} (( segid A and resid 80 and name HA )) ( segid A and resid 88 and name HG2%) ASSI { 52} (( segid A and resid 80 and name HG1 )) ( segid A and resid 88 and name HG2%) 3.300 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.41172E-02 ppm1 2.047 ppm2 0.224 CV 1 OR { 52} (( segid B and resid 80 and name HG1 )) ( segid B and resid 88 and name HG2%) ASSI { 53} (( segid A and resid 90 and name HG11)) ( segid A and resid 88 and name HG2%) 3.600 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.15729E-02 ppm1 1.072 ppm2 0.224 CV 1 OR { 53} (( segid B and resid 90 and name HG11)) ( segid B and resid 88 and name HG2%) ASSI { 58} (( segid B and resid 23 and name HB1 )) ( segid B and resid 88 and name HG2%) 4.100 2.100 1.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 3.737 ppm2 0.231 CV 1 OR { 58} (( segid A and resid 23 and name HB1 )) ( segid A and resid 88 and name HG2%) ASSI { 60} (( segid B and resid 37 and name HA )) ( segid B and resid 37 and name HD1%) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16733E-02 ppm1 2.984 ppm2 0.439 CV 1 OR { 60} (( segid A and resid 37 and name HA )) ( segid A and resid 37 and name HD1%) ASSI { 71} ( segid A and resid 29 and name HD1%) ( segid A and resid 37 and name HD1%) 2.700 2.700 3.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.38360E-02 ppm1 0.891 ppm2 0.461 CV 1 OR { 71} ( segid B and resid 29 and name HD1%) ( segid B and resid 37 and name HD1%) ASSI { 77} ( segid B and resid 37 and name HD1%) ( segid B and resid 34 and name HD2%) 2.400 0.700 0.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.28764E-02 ppm1 0.438 ppm2 0.644 CV 1 OR { 77} ( segid A and resid 37 and name HD1%) ( segid A and resid 34 and name HD2%) ASSI { 88} ( segid B and resid 76 and name HE% ) ( segid B and resid 90 and name HD1%) 2.000 0.500 0.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.19269E-01 ppm1 1.362 ppm2 0.658 CV 1 OR { 88} ( segid A and resid 76 and name HE% ) ( segid A and resid 90 and name HD1%) ASSI { 90} ( segid B and resid 35 and name HD2%) ( segid B and resid 34 and name HD2%) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.82980E-02 ppm1 1.002 ppm2 0.669 CV 1 OR { 90} ( segid A and resid 35 and name HD2%) ( segid A and resid 34 and name HD2%) ASSI { 91} (( segid B and resid 95 and name HA )) (( segid B and resid 96 and name HG11)) 4.000 2.000 2.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.14004E-02 ppm1 4.959 ppm2 0.670 CV 1 OR { 91} (( segid A and resid 95 and name HA )) (( segid A and resid 96 and name HG11)) ASSI { 92} (( segid B and resid 96 and name HB )) (( segid B and resid 96 and name HG11)) 2.600 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 1.963 ppm2 0.673 CV 1 OR { 92} (( segid A and resid 96 and name HB )) (( segid A and resid 96 and name HG11)) ASSI { 93} (( segid A and resid 17 and name HA )) (( segid A and resid 96 and name HG11)) 3.300 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 5.236 ppm2 0.673 CV 1 OR { 93} (( segid B and resid 17 and name HA )) (( segid B and resid 96 and name HG11)) ASSI { 94} ( segid A and resid 96 and name HD1%) (( segid A and resid 96 and name HG11)) 2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.71768E-02 ppm1 0.923 ppm2 0.673 CV 1 OR { 94} ( segid B and resid 96 and name HD1%) (( segid B and resid 96 and name HG11)) ASSI { 95} (( segid B and resid 98 and name HG1 )) (( segid B and resid 96 and name HG11)) 3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 1.305 ppm2 0.682 CV 1 OR { 95} (( segid A and resid 98 and name HG1 )) (( segid A and resid 96 and name HG11)) ASSI { 101} (( segid B and resid 96 and name HG12)) (( segid B and resid 96 and name HG11)) 1.800 0.400 0.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.47349E-02 ppm1 1.265 ppm2 0.705 CV 1 OR { 101} (( segid A and resid 96 and name HG12)) (( segid A and resid 96 and name HG11)) ASSI { 102} ( segid A and resid 91 and name HD1%) ( segid A and resid 91 and name HD2%) 2.300 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13469E-01 ppm1 0.901 ppm2 0.720 CV 1 OR { 102} ( segid B and resid 91 and name HD1%) ( segid B and resid 91 and name HD2%) ASSI { 103} (( segid A and resid 34 and name HB1 )) ( segid A and resid 34 and name HD1%) 3.200 1.300 1.300 peak 103 spectrum 1 weight 0.10000E+01 volume 0.20145E-02 ppm1 1.548 ppm2 0.723 CV 1 OR { 103} (( segid B and resid 34 and name HB1 )) ( segid B and resid 34 and name HD1%) ASSI { 104} (( segid B and resid 34 and name HA )) ( segid B and resid 34 and name HD1%) 2.800 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.65373E-02 ppm1 4.029 ppm2 0.732 CV 1 OR { 104} (( segid A and resid 34 and name HA )) ( segid A and resid 34 and name HD1%) ASSI { 105} (( segid B and resid 91 and name HG )) ( segid B and resid 91 and name HD2%) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.69513E-02 ppm1 1.670 ppm2 0.740 CV 1 OR { 105} (( segid A and resid 91 and name HG )) ( segid A and resid 91 and name HD2%) ASSI { 106} ( segid B and resid 37 and name HD1%) ( segid B and resid 34 and name HD1%) 2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.56630E-02 ppm1 0.449 ppm2 0.740 CV 1 OR { 106} ( segid A and resid 37 and name HD1%) ( segid A and resid 34 and name HD1%) ASSI { 109} (( segid A and resid 65 and name HB1 )) ( segid A and resid 72 and name HG2%) 4.200 2.200 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12531E-02 ppm1 1.635 ppm2 0.740 CV 1 OR { 109} (( segid B and resid 65 and name HB1 )) ( segid B and resid 72 and name HG2%) ASSI { 110} ( segid B and resid 38 and name HG1%) ( segid B and resid 34 and name HD1%) 3.100 3.100 2.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.22599E-02 ppm1 1.208 ppm2 0.740 CV 1 OR { 110} ( segid A and resid 38 and name HG1%) ( segid A and resid 34 and name HD1%) ASSI { 111} ( segid A and resid 29 and name HD1%) ( segid A and resid 34 and name HD1%) 2.100 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.18330E-01 ppm1 0.912 ppm2 0.743 CV 1 OR { 111} ( segid B and resid 29 and name HD1%) ( segid B and resid 34 and name HD1%) ASSI { 114} (( segid A and resid 72 and name HA )) ( segid A and resid 72 and name HG2%) 2.300 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.11484E-01 ppm1 3.455 ppm2 0.745 CV 1 OR { 114} (( segid B and resid 72 and name HA )) ( segid B and resid 72 and name HG2%) ASSI { 116} (( segid A and resid 69 and name HB2 )) ( segid A and resid 72 and name HG2%) 3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.21039E-02 ppm1 2.322 ppm2 0.746 CV 1 OR { 116} (( segid B and resid 69 and name HB2 )) ( segid B and resid 72 and name HG2%) ASSI { 119} ( segid B and resid 73 and name HB% ) ( segid B and resid 72 and name HG2%) 2.300 2.300 3.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 1.490 ppm2 0.747 CV 1 OR { 119} ( segid A and resid 73 and name HB% ) ( segid A and resid 72 and name HG2%) ASSI { 120} ( segid B and resid 17 and name HG1%) ( segid B and resid 72 and name HG2%) 2.000 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.21517E-01 ppm1 0.879 ppm2 0.748 CV 1 OR { 120} ( segid A and resid 17 and name HG1%) ( segid A and resid 72 and name HG2%) ASSI { 123} (( segid A and resid 67 and name HA1 )) ( segid A and resid 16 and name HD1%) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.27821E-02 ppm1 4.572 ppm2 0.763 CV 1 OR { 123} (( segid B and resid 67 and name HA1 )) ( segid B and resid 16 and name HD1%) ASSI { 125} (( segid A and resid 67 and name HA2 )) ( segid A and resid 16 and name HD1%) 2.600 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.45394E-02 ppm1 4.000 ppm2 0.767 CV 1 OR { 125} (( segid B and resid 67 and name HA2 )) ( segid B and resid 16 and name HD1%) ASSI { 129} (( segid B and resid 70 and name HA )) ( segid B and resid 72 and name HG2%) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.60970E-02 ppm1 4.344 ppm2 0.774 CV 1 OR { 129} (( segid A and resid 70 and name HA )) ( segid A and resid 72 and name HG2%) OR { 129} (( segid B and resid 70 and name HA )) ( segid B and resid 72 and name HG1%) ASSI { 130} (( segid A and resid 16 and name HG )) ( segid A and resid 16 and name HD1%) 1.800 0.400 0.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.20723E-01 ppm1 1.550 ppm2 0.775 CV 1 OR { 130} (( segid B and resid 16 and name HG )) ( segid B and resid 16 and name HD1%) ASSI { 132} (( segid A and resid 98 and name HD1 )) ( segid A and resid 16 and name HD2%) 3.100 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.25165E-02 ppm1 1.690 ppm2 0.782 CV 1 OR { 132} (( segid B and resid 98 and name HD1 )) ( segid B and resid 16 and name HD2%) OR { 132} (( segid A and resid 98 and name HD2 )) ( segid A and resid 16 and name HD2%) OR { 132} (( segid B and resid 98 and name HD2 )) ( segid B and resid 16 and name HD2%) ASSI { 133} ( segid A and resid 96 and name HD1%) ( segid A and resid 16 and name HD2%) 2.900 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10699E-01 ppm1 0.917 ppm2 0.783 CV 1 OR { 133} ( segid B and resid 96 and name HD1%) ( segid B and resid 16 and name HD2%) ASSI { 136} (( segid A and resid 31 and name HG )) ( segid A and resid 31 and name HD1%) 2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.59209E-02 ppm1 1.677 ppm2 0.787 CV 1 OR { 136} (( segid B and resid 31 and name HG )) ( segid B and resid 31 and name HD1%) ASSI { 137} (( segid B and resid 71 and name HA )) ( segid B and resid 72 and name HG1%) 3.100 3.100 2.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10021E-01 ppm1 4.403 ppm2 0.787 CV 1 OR { 137} (( segid A and resid 71 and name HA )) ( segid A and resid 72 and name HG1%) ASSI { 138} (( segid B and resid 15 and name HA )) ( segid B and resid 16 and name HD1%) 3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.20334E-02 ppm1 4.579 ppm2 0.788 CV 1 OR { 138} (( segid A and resid 15 and name HA )) ( segid A and resid 16 and name HD1%) ASSI { 139} (( segid A and resid 98 and name HB2 )) ( segid A and resid 16 and name HD2%) 2.900 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 1.792 ppm2 0.790 CV 1 OR { 139} (( segid B and resid 98 and name HB2 )) ( segid B and resid 16 and name HD2%) ASSI { 141} (( segid B and resid 31 and name HA )) ( segid B and resid 31 and name HD1%) 2.600 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.89716E-02 ppm1 4.036 ppm2 0.792 CV 1 OR { 141} (( segid A and resid 31 and name HA )) ( segid A and resid 31 and name HD1%) ASSI { 143} (( segid B and resid 72 and name HA )) ( segid B and resid 72 and name HG1%) 2.200 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10170E-01 ppm1 3.456 ppm2 0.798 CV 1 OR { 143} (( segid A and resid 72 and name HA )) ( segid A and resid 72 and name HG1%) ASSI { 144} ( segid A and resid 34 and name HD2%) ( segid A and resid 31 and name HD1%) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.77260E-02 ppm1 0.642 ppm2 0.799 CV 1 OR { 144} ( segid B and resid 34 and name HD2%) ( segid B and resid 31 and name HD1%) ASSI { 145} (( segid B and resid 19 and name HB1 )) ( segid B and resid 72 and name HG1%) 3.300 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.26134E-02 ppm1 2.671 ppm2 0.801 CV 1 OR { 145} (( segid A and resid 19 and name HB1 )) ( segid A and resid 72 and name HG1%) ASSI { 146} (( segid B and resid 69 and name HB1 )) ( segid B and resid 72 and name HG1%) 4.000 2.000 2.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.19212E-02 ppm1 2.021 ppm2 0.802 CV 1 OR { 146} (( segid A and resid 69 and name HB1 )) ( segid A and resid 72 and name HG1%) ASSI { 148} ( segid B and resid 17 and name HG1%) ( segid B and resid 72 and name HG1%) 2.000 0.500 0.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.27350E-01 ppm1 0.879 ppm2 0.804 CV 1 OR { 148} ( segid A and resid 17 and name HG1%) ( segid A and resid 72 and name HG1%) ASSI { 150} ( segid B and resid 73 and name HB% ) ( segid B and resid 72 and name HG1%) 3.300 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.54299E-02 ppm1 1.490 ppm2 0.805 CV 1 OR { 150} ( segid A and resid 73 and name HB% ) ( segid A and resid 72 and name HG1%) ASSI { 153} (( segid A and resid 65 and name HB1 )) ( segid A and resid 72 and name HG1%) 4.100 2.100 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 1.639 ppm2 0.809 CV 1 OR { 153} (( segid B and resid 65 and name HB1 )) ( segid B and resid 72 and name HG1%) ASSI { 154} ( segid A and resid 76 and name HE% ) ( segid A and resid 72 and name HG1%) 2.700 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.41217E-02 ppm1 1.358 ppm2 0.809 CV 1 OR { 154} ( segid B and resid 76 and name HE% ) ( segid B and resid 72 and name HG1%) ASSI { 156} ( segid B and resid 26 and name HB% ) ( segid B and resid 29 and name HD1%) 2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.31857E-02 ppm1 1.534 ppm2 0.863 CV 1 OR { 156} ( segid A and resid 26 and name HB% ) ( segid A and resid 29 and name HD1%) ASSI { 158} (( segid A and resid 91 and name HA )) ( segid A and resid 91 and name HD1%) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11635E-01 ppm1 4.479 ppm2 0.870 CV 1 OR { 158} (( segid B and resid 91 and name HA )) ( segid B and resid 91 and name HD1%) ASSI { 159} (( segid A and resid 16 and name HA )) ( segid A and resid 17 and name HG1%) 4.000 2.000 2.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 4.793 ppm2 0.878 CV 1 OR { 159} (( segid B and resid 16 and name HA )) ( segid B and resid 17 and name HG1%) ASSI { 160} (( segid A and resid 69 and name HB1 )) ( segid A and resid 17 and name HG1%) 2.800 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.71032E-02 ppm1 2.024 ppm2 0.878 CV 1 OR { 160} (( segid B and resid 69 and name HB1 )) ( segid B and resid 17 and name HG1%) ASSI { 165} (( segid A and resid 69 and name HA )) ( segid A and resid 17 and name HG1%) 2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12214E-01 ppm1 4.121 ppm2 0.883 CV 1 OR { 165} (( segid B and resid 69 and name HA )) ( segid B and resid 17 and name HG1%) ASSI { 170} (( segid A and resid 17 and name HB )) ( segid A and resid 17 and name HG1%) 2.100 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.11997E-01 ppm1 2.184 ppm2 0.885 CV 1 OR { 170} (( segid B and resid 17 and name HB )) ( segid B and resid 17 and name HG1%) ASSI { 176} (( segid A and resid 95 and name HA )) ( segid A and resid 17 and name HG1%) 3.600 1.600 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.19793E-02 ppm1 4.945 ppm2 0.891 CV 1 OR { 176} (( segid B and resid 95 and name HA )) ( segid B and resid 17 and name HG1%) ASSI { 177} (( segid A and resid 95 and name HB1 )) ( segid A and resid 17 and name HG1%) 2.600 2.600 3.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 3.960 ppm2 0.893 CV 1 OR { 177} (( segid B and resid 95 and name HB1 )) ( segid B and resid 17 and name HG1%) OR { 177} (( segid A and resid 95 and name HB2 )) ( segid A and resid 17 and name HG1%) OR { 177} (( segid B and resid 95 and name HB2 )) ( segid B and resid 17 and name HG1%) ASSI { 180} ( segid A and resid 79 and name HD1%) ( segid A and resid 90 and name HG2%) 2.600 2.600 3.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10961E-01 ppm1 0.166 ppm2 0.904 CV 1 OR { 180} ( segid B and resid 79 and name HD1%) ( segid B and resid 90 and name HG2%) ASSI { 182} (( segid B and resid 29 and name HG )) ( segid B and resid 29 and name HD1%) 2.100 0.500 0.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15140E-01 ppm1 1.256 ppm2 0.908 CV 1 OR { 182} (( segid A and resid 29 and name HG )) ( segid A and resid 29 and name HD1%) ASSI { 184} (( segid B and resid 85 and name HA )) ( segid B and resid 29 and name HD1%) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.15708E-02 ppm1 5.528 ppm2 0.908 CV 1 OR { 184} (( segid A and resid 85 and name HA )) ( segid A and resid 29 and name HD1%) ASSI { 191} (( segid A and resid 49 and name HA )) ( segid A and resid 50 and name HD1%) 3.600 1.600 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.18332E-02 ppm1 3.972 ppm2 0.911 CV 1 OR { 191} (( segid B and resid 49 and name HA )) ( segid B and resid 50 and name HD1%) ASSI { 192} (( segid A and resid 98 and name HA )) ( segid A and resid 96 and name HD1%) 2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.34868E-02 ppm1 4.415 ppm2 0.911 CV 1 OR { 192} (( segid B and resid 98 and name HA )) ( segid B and resid 96 and name HD1%) ASSI { 195} ( segid A and resid 106 and name HE% ) ( segid A and resid 54 and name HD1%) 2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.18549E-01 ppm1 2.069 ppm2 0.912 CV 1 OR { 195} ( segid B and resid 106 and name HE% ) ( segid B and resid 54 and name HD1%) ASSI { 196} ( segid B and resid 71 and name HB% ) ( segid B and resid 50 and name HD1%) 2.000 0.500 0.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26048E-01 ppm1 1.758 ppm2 0.914 CV 1 OR { 196} ( segid A and resid 71 and name HB% ) ( segid A and resid 50 and name HD1%) ASSI { 198} (( segid B and resid 67 and name HA2 )) ( segid B and resid 50 and name HD1%) 3.300 1.400 1.400 peak 198 spectrum 1 weight 0.10000E+01 volume 0.33538E-02 ppm1 4.012 ppm2 0.918 CV 1 OR { 198} (( segid A and resid 67 and name HA2 )) ( segid A and resid 50 and name HD1%) ASSI { 200} (( segid B and resid 67 and name HA1 )) ( segid B and resid 50 and name HD1%) 2.600 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 4.588 ppm2 0.925 CV 1 OR { 200} (( segid A and resid 67 and name HA1 )) ( segid A and resid 50 and name HD1%) ASSI { 208} (( segid B and resid 91 and name HG )) ( segid B and resid 91 and name HD1%) 2.000 0.500 0.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.17928E-01 ppm1 1.693 ppm2 0.928 CV 1 OR { 208} (( segid A and resid 91 and name HG )) ( segid A and resid 91 and name HD1%) ASSI { 209} ( segid B and resid 56 and name HD% ) ( segid B and resid 54 and name HD1%) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 6.547 ppm2 0.928 CV 1 OR { 209} ( segid A and resid 56 and name HD% ) ( segid A and resid 54 and name HD1%) ASSI { 210} (( segid A and resid 24 and name HA )) ( segid A and resid 24 and name HD1%) 2.900 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.18516E-02 ppm1 5.099 ppm2 0.930 CV 1 OR { 210} (( segid B and resid 24 and name HA )) ( segid B and resid 24 and name HD1%) ASSI { 211} (( segid B and resid 48 and name HA )) ( segid B and resid 50 and name HD2%) 3.500 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 4.329 ppm2 0.930 CV 1 OR { 211} (( segid A and resid 48 and name HA )) ( segid A and resid 50 and name HD2%) OR { 211} (( segid B and resid 48 and name HA )) ( segid B and resid 50 and name HD1%) OR { 211} (( segid A and resid 48 and name HA )) ( segid A and resid 50 and name HD1%) ASSI { 213} (( segid A and resid 66 and name HB1 )) ( segid A and resid 96 and name HD1%) 2.500 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.34877E-02 ppm1 2.022 ppm2 0.931 CV 1 OR { 213} (( segid B and resid 66 and name HB1 )) ( segid B and resid 96 and name HD1%) ASSI { 214} ( segid A and resid 90 and name HD1%) ( segid A and resid 90 and name HG2%) 1.900 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.35099E-01 ppm1 0.650 ppm2 0.931 CV 1 OR { 214} ( segid B and resid 90 and name HD1%) ( segid B and resid 90 and name HG2%) ASSI { 220} (( segid B and resid 90 and name HG12)) ( segid B and resid 90 and name HG2%) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.90799E-02 ppm1 1.473 ppm2 0.935 CV 1 OR { 220} (( segid A and resid 90 and name HG12)) ( segid A and resid 90 and name HG2%) ASSI { 222} (( segid A and resid 60 and name HB )) ( segid A and resid 60 and name HG1%) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.53869E-02 ppm1 2.152 ppm2 0.936 CV 1 OR { 222} (( segid B and resid 60 and name HB )) ( segid B and resid 60 and name HG1%) ASSI { 224} ( segid B and resid 96 and name HG2%) ( segid B and resid 96 and name HD1%) 2.200 0.600 0.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.15691E-01 ppm1 1.046 ppm2 0.937 CV 1 OR { 224} ( segid A and resid 96 and name HG2%) ( segid A and resid 96 and name HD1%) ASSI { 228} ( segid A and resid 17 and name HG1%) ( segid A and resid 17 and name HG2%) 1.700 0.400 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.54570E-01 ppm1 0.879 ppm2 0.946 CV 1 OR { 228} ( segid B and resid 17 and name HG1%) ( segid B and resid 17 and name HG2%) ASSI { 230} (( segid A and resid 93 and name HG1 )) ( segid A and resid 90 and name HG2%) 2.200 0.600 0.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.89328E-02 ppm1 2.176 ppm2 0.948 CV 1 OR { 230} (( segid B and resid 93 and name HG1 )) ( segid B and resid 90 and name HG2%) ASSI { 231} (( segid B and resid 93 and name HG2 )) ( segid B and resid 90 and name HG2%) 2.500 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.71379E-02 ppm1 2.240 ppm2 0.948 CV 1 OR { 231} (( segid A and resid 93 and name HG2 )) ( segid A and resid 90 and name HG2%) ASSI { 234} ( segid A and resid 72 and name HG1%) ( segid A and resid 17 and name HG2%) 1.600 1.600 4.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.31667E-01 ppm1 0.808 ppm2 0.953 CV 1 OR { 234} ( segid B and resid 72 and name HG1%) ( segid B and resid 17 and name HG2%) ASSI { 239} (( segid A and resid 69 and name HA )) ( segid A and resid 17 and name HG2%) 2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.72205E-02 ppm1 4.122 ppm2 0.955 CV 1 OR { 239} (( segid B and resid 69 and name HA )) ( segid B and resid 17 and name HG2%) ASSI { 240} (( segid B and resid 69 and name HD2 )) ( segid B and resid 17 and name HG2%) 4.000 2.000 2.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 3.392 ppm2 0.955 CV 1 OR { 240} (( segid A and resid 69 and name HD2 )) ( segid A and resid 17 and name HG2%) ASSI { 241} (( segid A and resid 69 and name HB2 )) ( segid A and resid 17 and name HG2%) 3.400 1.400 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.79977E-02 ppm1 2.311 ppm2 0.957 CV 1 OR { 241} (( segid B and resid 69 and name HB2 )) ( segid B and resid 17 and name HG2%) ASSI { 242} (( segid A and resid 65 and name HA )) ( segid A and resid 65 and name HD1%) 4.100 2.100 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.18621E-02 ppm1 5.341 ppm2 0.958 CV 1 OR { 242} (( segid B and resid 65 and name HA )) ( segid B and resid 65 and name HD1%) ASSI { 243} (( segid A and resid 69 and name HB1 )) ( segid A and resid 17 and name HG2%) 2.600 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.71170E-02 ppm1 2.024 ppm2 0.958 CV 1 OR { 243} (( segid B and resid 69 and name HB1 )) ( segid B and resid 17 and name HG2%) ASSI { 244} (( segid A and resid 69 and name HG1 )) ( segid A and resid 17 and name HG2%) 2.200 0.600 0.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.97063E-02 ppm1 1.974 ppm2 0.958 CV 1 OR { 244} (( segid B and resid 69 and name HG1 )) ( segid B and resid 17 and name HG2%) OR { 244} (( segid A and resid 69 and name HG2 )) ( segid A and resid 17 and name HG2%) OR { 244} (( segid B and resid 69 and name HG2 )) ( segid B and resid 17 and name HG2%) ASSI { 245} (( segid B and resid 69 and name HD1 )) ( segid B and resid 17 and name HG2%) 3.000 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.10202E-02 ppm1 2.756 ppm2 0.958 CV 1 OR { 245} (( segid A and resid 69 and name HD1 )) ( segid A and resid 17 and name HG2%) ASSI { 250} (( segid A and resid 50 and name HA )) ( segid A and resid 50 and name HD2%) 3.300 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.30001E-02 ppm1 5.599 ppm2 0.962 CV 1 OR { 250} (( segid B and resid 50 and name HA )) ( segid B and resid 50 and name HD2%) ASSI { 251} (( segid B and resid 19 and name HB1 )) ( segid B and resid 65 and name HD1%) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.15821E-02 ppm1 2.673 ppm2 0.963 CV 1 OR { 251} (( segid A and resid 19 and name HB1 )) ( segid A and resid 65 and name HD1%) ASSI { 256} ( segid B and resid 71 and name HB% ) ( segid B and resid 50 and name HD2%) 2.300 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.10413E-01 ppm1 1.760 ppm2 0.969 CV 1 OR { 256} ( segid A and resid 71 and name HB% ) ( segid A and resid 50 and name HD2%) ASSI { 257} (( segid A and resid 5 and name HG )) ( segid A and resid 5 and name HD2%) 1.900 0.400 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.31286E-01 ppm1 1.680 ppm2 0.971 CV 1 OR { 257} (( segid B and resid 5 and name HG )) (( segid B and resid 5 and name HD23)) OR { 257} (( segid B and resid 5 and name HG )) (( segid B and resid 5 and name HD21)) ASSI { 258} (( segid A and resid 76 and name HB1 )) ( segid A and resid 75 and name HG1%) 3.600 1.600 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 1.770 ppm2 0.971 CV 1 OR { 258} (( segid B and resid 76 and name HB1 )) ( segid B and resid 75 and name HG1%) ASSI { 260} ( segid B and resid 48 and name HB% ) ( segid B and resid 50 and name HD2%) 2.200 0.600 0.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.16293E-01 ppm1 1.127 ppm2 0.973 CV 1 OR { 260} ( segid A and resid 48 and name HB% ) ( segid A and resid 50 and name HD2%) ASSI { 261} ( segid B and resid 79 and name HD1%) ( segid B and resid 75 and name HG1%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13271E-01 ppm1 0.170 ppm2 0.973 CV 1 OR { 261} ( segid A and resid 79 and name HD1%) ( segid A and resid 75 and name HG1%) ASSI { 263} (( segid B and resid 76 and name HB2 )) ( segid B and resid 75 and name HG1%) 3.600 1.600 1.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.18732E-02 ppm1 2.062 ppm2 0.974 CV 1 OR { 263} (( segid A and resid 76 and name HB2 )) ( segid A and resid 75 and name HG1%) ASSI { 266} (( segid A and resid 65 and name HG )) ( segid A and resid 65 and name HD2%) 2.100 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.91709E-02 ppm1 1.794 ppm2 0.977 CV 1 OR { 266} (( segid B and resid 65 and name HG )) ( segid B and resid 65 and name HD2%) ASSI { 268} (( segid B and resid 65 and name HB1 )) ( segid B and resid 65 and name HD2%) 2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.34106E-02 ppm1 1.630 ppm2 0.978 CV 1 OR { 268} (( segid A and resid 65 and name HB1 )) ( segid A and resid 65 and name HD2%) ASSI { 270} (( segid B and resid 65 and name HB2 )) ( segid B and resid 65 and name HD2%) 3.400 1.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.27627E-02 ppm1 1.767 ppm2 0.981 CV 1 OR { 270} (( segid A and resid 65 and name HB2 )) ( segid A and resid 65 and name HD2%) ASSI { 273} (( segid B and resid 116 and name HD2 )) ( segid B and resid 120 and name HD2%) 2.200 0.600 0.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.64679E-02 ppm1 3.254 ppm2 0.990 CV 1 OR { 273} (( segid A and resid 116 and name HD2 )) ( segid A and resid 120 and name HD2%) OR { 273} (( segid B and resid 116 and name HD1 )) ( segid B and resid 120 and name HD2%) OR { 273} (( segid A and resid 116 and name HD1 )) ( segid A and resid 120 and name HD2%) ASSI { 274} (( segid A and resid 60 and name HB )) ( segid A and resid 24 and name HD2%) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.23894E-02 ppm1 2.154 ppm2 0.996 CV 1 OR { 274} (( segid B and resid 60 and name HB )) ( segid B and resid 24 and name HD2%) ASSI { 275} (( segid A and resid 34 and name HB2 )) ( segid A and resid 35 and name HD2%) 3.200 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.31569E-02 ppm1 1.805 ppm2 0.997 CV 1 OR { 275} (( segid B and resid 34 and name HB2 )) ( segid B and resid 35 and name HD2%) OR { 275} (( segid A and resid 34 and name HB2 )) ( segid A and resid 35 and name HD1%) ASSI { 276} (( segid B and resid 89 and name HB1 )) ( segid B and resid 24 and name HD2%) 2.600 2.600 3.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 1.913 ppm2 0.999 CV 1 OR { 276} (( segid A and resid 89 and name HB1 )) ( segid A and resid 24 and name HD2%) ASSI { 277} (( segid A and resid 24 and name HA )) ( segid A and resid 24 and name HD2%) 2.900 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.42457E-02 ppm1 5.109 ppm2 1.003 CV 1 OR { 277} (( segid B and resid 24 and name HA )) ( segid B and resid 24 and name HD2%) ASSI { 278} (( segid A and resid 35 and name HA )) ( segid A and resid 35 and name HD1%) 2.800 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.84308E-02 ppm1 4.050 ppm2 1.003 CV 1 OR { 278} (( segid B and resid 35 and name HA )) ( segid B and resid 35 and name HD1%) ASSI { 279} (( segid A and resid 9 and name HA )) ( segid A and resid 9 and name HG2%) 2.300 0.700 0.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.26219E-01 ppm1 4.253 ppm2 1.007 CV 1 OR { 279} (( segid B and resid 9 and name HA )) (( segid B and resid 9 and name HG22)) OR { 279} (( segid B and resid 9 and name HA )) (( segid B and resid 9 and name HG21)) ASSI { 280} (( segid A and resid 9 and name HB )) ( segid A and resid 9 and name HG1%) 1.900 0.400 0.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.35289E-01 ppm1 2.241 ppm2 1.011 CV 1 OR { 280} (( segid B and resid 9 and name HB )) (( segid B and resid 9 and name HG12)) OR { 280} (( segid B and resid 9 and name HB )) (( segid B and resid 9 and name HG11)) ASSI { 282} (( segid A and resid 35 and name HB2 )) ( segid A and resid 35 and name HD2%) 3.200 1.300 1.300 peak 282 spectrum 1 weight 0.10000E+01 volume 0.28027E-02 ppm1 1.972 ppm2 1.012 CV 1 OR { 282} (( segid B and resid 35 and name HB2 )) ( segid B and resid 35 and name HD2%) ASSI { 283} (( segid A and resid 87 and name HB2 )) ( segid A and resid 24 and name HD2%) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.45144E-02 ppm1 3.084 ppm2 1.012 CV 1 OR { 283} (( segid B and resid 87 and name HB2 )) ( segid B and resid 24 and name HD2%) ASSI { 284} (( segid B and resid 35 and name HB1 )) ( segid B and resid 35 and name HD2%) 3.000 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 1.630 ppm2 1.014 CV 1 OR { 284} (( segid A and resid 35 and name HB1 )) ( segid A and resid 35 and name HD2%) ASSI { 287} (( segid A and resid 32 and name HA )) ( segid A and resid 31 and name HD2%) 2.300 2.300 3.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.37891E-02 ppm1 3.987 ppm2 1.019 CV 1 OR { 287} (( segid B and resid 32 and name HA )) ( segid B and resid 31 and name HD2%) ASSI { 290} (( segid B and resid 32 and name HD2 )) ( segid B and resid 31 and name HD2%) 2.500 2.500 3.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 3.263 ppm2 1.022 CV 1 OR { 290} (( segid A and resid 32 and name HD2 )) ( segid A and resid 31 and name HD2%) OR { 290} (( segid A and resid 32 and name HD1 )) ( segid A and resid 31 and name HD2%) OR { 290} (( segid B and resid 32 and name HD1 )) ( segid B and resid 31 and name HD2%) ASSI { 292} (( segid B and resid 96 and name HG11)) ( segid B and resid 96 and name HG2%) 3.000 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.65122E-02 ppm1 0.693 ppm2 1.024 CV 1 OR { 292} (( segid A and resid 96 and name HG11)) ( segid A and resid 96 and name HG2%) ASSI { 294} (( segid B and resid 100 and name HG1 )) ( segid B and resid 96 and name HG2%) 2.700 2.700 3.300 peak 294 spectrum 1 weight 0.10000E+01 volume 0.14844E-02 ppm1 1.220 ppm2 1.034 CV 1 OR { 294} (( segid A and resid 100 and name HG1 )) ( segid A and resid 96 and name HG2%) ASSI { 295} ( segid B and resid 76 and name HE% ) (( segid B and resid 90 and name HG11)) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.56750E-02 ppm1 1.361 ppm2 1.040 CV 1 OR { 295} ( segid A and resid 76 and name HE% ) (( segid A and resid 90 and name HG11)) ASSI { 299} (( segid A and resid 94 and name HB1 )) ( segid A and resid 96 and name HG2%) 3.500 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 2.025 ppm2 1.045 CV 1 OR { 299} (( segid B and resid 94 and name HB1 )) ( segid B and resid 96 and name HG2%) ASSI { 300} (( segid B and resid 90 and name HB )) (( segid B and resid 90 and name HG11)) 2.700 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.28724E-02 ppm1 1.910 ppm2 1.048 CV 1 OR { 300} (( segid A and resid 90 and name HB )) (( segid A and resid 90 and name HG11)) ASSI { 303} (( segid B and resid 90 and name HG12)) (( segid B and resid 90 and name HG11)) 1.700 0.300 0.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.14329E-01 ppm1 1.469 ppm2 1.053 CV 1 OR { 303} (( segid A and resid 90 and name HG12)) (( segid A and resid 90 and name HG11)) ASSI { 304} ( segid A and resid 90 and name HD1%) (( segid A and resid 90 and name HG11)) 2.100 0.600 0.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.12625E-01 ppm1 0.651 ppm2 1.053 CV 1 OR { 304} ( segid B and resid 90 and name HD1%) (( segid B and resid 90 and name HG11)) ASSI { 306} ( segid B and resid 90 and name HG2%) (( segid B and resid 90 and name HG11)) 2.400 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.96728E-02 ppm1 0.936 ppm2 1.068 CV 1 OR { 306} ( segid A and resid 90 and name HG2%) (( segid A and resid 90 and name HG11)) ASSI { 307} (( segid A and resid 47 and name HA )) ( segid A and resid 48 and name HB% ) 3.900 1.900 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16813E-02 ppm1 4.143 ppm2 1.107 CV 1 OR { 307} (( segid B and resid 47 and name HA )) ( segid B and resid 48 and name HB% ) ASSI { 308} (( segid A and resid 47 and name HB1 )) ( segid A and resid 48 and name HB% ) 3.200 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 1.934 ppm2 1.117 CV 1 OR { 308} (( segid B and resid 47 and name HB1 )) ( segid B and resid 48 and name HB% ) OR { 308} (( segid A and resid 47 and name HB2 )) ( segid A and resid 48 and name HB% ) OR { 308} (( segid B and resid 47 and name HB2 )) ( segid B and resid 48 and name HB% ) ASSI { 309} (( segid A and resid 49 and name HG1 )) ( segid A and resid 48 and name HB% ) 2.500 2.500 3.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.24183E-02 ppm1 2.343 ppm2 1.119 CV 1 OR { 309} (( segid B and resid 49 and name HG2 )) ( segid B and resid 48 and name HB% ) OR { 309} (( segid A and resid 49 and name HG2 )) ( segid A and resid 48 and name HB% ) OR { 309} (( segid B and resid 49 and name HG1 )) ( segid B and resid 48 and name HB% ) ASSI { 310} ( segid B and resid 71 and name HB% ) ( segid B and resid 48 and name HB% ) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.15770E-01 ppm1 1.759 ppm2 1.120 CV 1 OR { 310} ( segid A and resid 71 and name HB% ) ( segid A and resid 48 and name HB% ) ASSI { 311} (( segid A and resid 48 and name HA )) ( segid A and resid 48 and name HB% ) 2.000 0.500 0.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.22953E-01 ppm1 4.345 ppm2 1.124 CV 1 OR { 311} (( segid B and resid 48 and name HA )) ( segid B and resid 48 and name HB% ) ASSI { 315} ( segid A and resid 79 and name HD1%) (( segid A and resid 79 and name HG12)) 2.400 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.51975E-02 ppm1 0.166 ppm2 1.147 CV 1 OR { 315} ( segid B and resid 79 and name HD1%) (( segid B and resid 79 and name HG12)) ASSI { 316} ( segid A and resid 79 and name HG2%) (( segid A and resid 79 and name HG12)) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.29665E-02 ppm1 0.108 ppm2 1.147 CV 1 OR { 316} ( segid B and resid 79 and name HG2%) (( segid B and resid 79 and name HG12)) ASSI { 317} (( segid A and resid 79 and name HA )) (( segid A and resid 79 and name HG12)) 3.300 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 3.618 ppm2 1.151 CV 1 OR { 317} (( segid B and resid 79 and name HA )) (( segid B and resid 79 and name HG12)) ASSI { 324} (( segid A and resid 51 and name HB )) ( segid A and resid 51 and name HG2%) 3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14665E-02 ppm1 4.825 ppm2 1.186 CV 1 OR { 324} (( segid B and resid 51 and name HB )) ( segid B and resid 51 and name HG2%) ASSI { 325} (( segid B and resid 38 and name HA )) ( segid B and resid 38 and name HG1%) 2.900 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.35349E-02 ppm1 3.519 ppm2 1.188 CV 1 OR { 325} (( segid A and resid 38 and name HA )) ( segid A and resid 38 and name HG1%) ASSI { 326} (( segid A and resid 42 and name HG2 )) ( segid A and resid 38 and name HG1%) 2.600 2.600 3.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.18853E-02 ppm1 2.656 ppm2 1.189 CV 1 OR { 326} (( segid B and resid 42 and name HG2 )) ( segid B and resid 38 and name HG1%) OR { 326} (( segid A and resid 42 and name HG1 )) ( segid A and resid 38 and name HG1%) OR { 326} (( segid B and resid 42 and name HG1 )) ( segid B and resid 38 and name HG1%) ASSI { 327} (( segid A and resid 38 and name HB )) ( segid A and resid 38 and name HG1%) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.57063E-02 ppm1 2.388 ppm2 1.191 CV 1 OR { 327} (( segid B and resid 38 and name HB )) ( segid B and resid 38 and name HG1%) ASSI { 329} (( segid A and resid 103 and name HA2 )) ( segid A and resid 51 and name HG2%) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 4.307 ppm2 1.194 CV 1 OR { 329} (( segid B and resid 103 and name HA2 )) ( segid B and resid 51 and name HG2%) ASSI { 331} ( segid B and resid 37 and name HG2%) ( segid B and resid 38 and name HG1%) 3.400 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.32396E-02 ppm1 -0.672 ppm2 1.203 CV 1 OR { 331} ( segid A and resid 37 and name HG2%) ( segid A and resid 38 and name HG1%) ASSI { 332} ( segid B and resid 106 and name HE% ) ( segid B and resid 38 and name HG1%) 2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.37800E-02 ppm1 2.068 ppm2 1.210 CV 1 OR { 332} ( segid A and resid 106 and name HE% ) ( segid A and resid 38 and name HG1%) ASSI { 333} (( segid B and resid 100 and name HB2 )) (( segid B and resid 100 and name HG1 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.20563E-02 ppm1 1.698 ppm2 1.222 CV 1 OR { 333} (( segid A and resid 100 and name HB2 )) (( segid A and resid 100 and name HG1 )) ASSI { 334} (( segid B and resid 100 and name HA )) (( segid B and resid 100 and name HG1 )) 3.200 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.23848E-02 ppm1 4.127 ppm2 1.226 CV 1 OR { 334} (( segid A and resid 100 and name HA )) (( segid A and resid 100 and name HG1 )) ASSI { 336} (( segid B and resid 100 and name HG2 )) (( segid B and resid 100 and name HG1 )) 1.800 0.400 0.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.89908E-02 ppm1 1.491 ppm2 1.230 CV 1 OR { 336} (( segid A and resid 100 and name HG2 )) (( segid A and resid 100 and name HG1 )) ASSI { 338} (( segid B and resid 100 and name HD2 )) (( segid B and resid 100 and name HG1 )) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27698E-02 ppm1 2.874 ppm2 1.234 CV 1 OR { 338} (( segid A and resid 100 and name HD2 )) (( segid A and resid 100 and name HG1 )) OR { 338} (( segid B and resid 100 and name HD1 )) (( segid B and resid 100 and name HG1 )) OR { 338} (( segid A and resid 100 and name HD1 )) (( segid A and resid 100 and name HG1 )) ASSI { 340} ( segid B and resid 96 and name HG2%) (( segid B and resid 96 and name HG12)) 2.300 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.50171E-02 ppm1 1.041 ppm2 1.238 CV 1 OR { 340} ( segid A and resid 96 and name HG2%) (( segid A and resid 96 and name HG12)) ASSI { 341} (( segid B and resid 99 and name HA )) (( segid B and resid 100 and name HG1 )) 3.300 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.17679E-02 ppm1 3.947 ppm2 1.243 CV 1 OR { 341} (( segid A and resid 99 and name HA )) (( segid A and resid 100 and name HG1 )) ASSI { 343} ( segid B and resid 26 and name HB% ) (( segid B and resid 29 and name HG )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.81006E-02 ppm1 1.541 ppm2 1.254 CV 1 OR { 343} ( segid A and resid 26 and name HB% ) (( segid A and resid 29 and name HG )) ASSI { 346} (( segid A and resid 29 and name HA )) (( segid A and resid 29 and name HG )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.50287E-02 ppm1 4.376 ppm2 1.260 CV 1 OR { 346} (( segid B and resid 29 and name HA )) (( segid B and resid 29 and name HG )) ASSI { 347} (( segid A and resid 96 and name HB )) (( segid A and resid 96 and name HG12)) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.59213E-02 ppm1 1.943 ppm2 1.260 CV 1 OR { 347} (( segid B and resid 96 and name HB )) (( segid B and resid 96 and name HG12)) ASSI { 350} ( segid B and resid 96 and name HD1%) (( segid B and resid 96 and name HG12)) 2.100 0.500 0.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.10135E-01 ppm1 0.918 ppm2 1.271 CV 1 OR { 350} ( segid A and resid 96 and name HD1%) (( segid A and resid 96 and name HG12)) ASSI { 351} (( segid B and resid 16 and name HG )) (( segid B and resid 16 and name HB1 )) 2.200 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.40253E-02 ppm1 1.549 ppm2 1.273 CV 1 OR { 351} (( segid A and resid 16 and name HG )) (( segid A and resid 16 and name HB1 )) ASSI { 352} ( segid B and resid 16 and name HD1%) (( segid B and resid 16 and name HB1 )) 2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10126E-01 ppm1 0.764 ppm2 1.278 CV 1 OR { 352} ( segid A and resid 16 and name HD1%) (( segid A and resid 16 and name HB1 )) ASSI { 353} ( segid B and resid 16 and name HD2%) (( segid B and resid 16 and name HB1 )) 2.600 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 0.792 ppm2 1.281 CV 1 OR { 353} ( segid A and resid 16 and name HD2%) (( segid A and resid 16 and name HB1 )) ASSI { 354} (( segid A and resid 9 and name HA )) ( segid A and resid 10 and name HG2%) 3.300 1.400 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.35197E-02 ppm1 4.249 ppm2 1.284 CV 1 OR { 354} (( segid B and resid 9 and name HA )) (( segid B and resid 10 and name HG21)) OR { 354} (( segid B and resid 9 and name HA )) (( segid B and resid 10 and name HG23)) ASSI { 355} (( segid A and resid 12 and name HA )) ( segid A and resid 12 and name HG2%) 1.900 0.500 0.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.37783E-01 ppm1 4.449 ppm2 1.284 CV 1 OR { 355} (( segid B and resid 12 and name HA )) ( segid B and resid 12 and name HG2%) ASSI { 356} (( segid A and resid 13 and name HA2 )) ( segid A and resid 12 and name HG2%) 2.300 2.300 3.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.37814E-02 ppm1 4.124 ppm2 1.286 CV 1 OR { 356} (( segid B and resid 13 and name HA2 )) ( segid B and resid 12 and name HG2%) OR { 356} (( segid A and resid 13 and name HA1 )) ( segid A and resid 12 and name HG2%) OR { 356} (( segid B and resid 13 and name HA1 )) ( segid B and resid 12 and name HG2%) ASSI { 358} (( segid B and resid 16 and name HB2 )) (( segid B and resid 16 and name HB1 )) 1.700 0.400 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.71284E-02 ppm1 1.816 ppm2 1.288 CV 1 OR { 358} (( segid A and resid 16 and name HB2 )) (( segid A and resid 16 and name HB1 )) ASSI { 359} (( segid A and resid 16 and name HA )) (( segid A and resid 16 and name HB1 )) 2.400 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 4.798 ppm2 1.289 CV 1 OR { 359} (( segid B and resid 16 and name HA )) (( segid B and resid 16 and name HB1 )) ASSI { 362} (( segid A and resid 10 and name HA )) ( segid A and resid 10 and name HG2%) 2.300 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.24532E-01 ppm1 4.368 ppm2 1.290 CV 1 OR { 362} (( segid B and resid 10 and name HA )) (( segid B and resid 10 and name HG22)) OR { 362} (( segid B and resid 10 and name HA )) (( segid B and resid 10 and name HG23)) ASSI { 363} (( segid A and resid 10 and name HB )) ( segid A and resid 10 and name HG2%) 1.900 0.400 0.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.36233E-01 ppm1 4.280 ppm2 1.290 CV 1 OR { 363} (( segid B and resid 10 and name HB )) (( segid B and resid 10 and name HG23)) OR { 363} (( segid B and resid 10 and name HB )) (( segid B and resid 10 and name HG22)) ASSI { 364} (( segid B and resid 40 and name HA )) ( segid B and resid 40 and name HG2%) 2.600 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.96758E-02 ppm1 4.024 ppm2 1.293 CV 1 OR { 364} (( segid A and resid 40 and name HA )) ( segid A and resid 40 and name HG2%) ASSI { 366} ( segid B and resid 43 and name HB% ) ( segid B and resid 40 and name HG2%) 2.200 2.200 3.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.43419E-02 ppm1 1.578 ppm2 1.294 CV 1 OR { 366} ( segid A and resid 43 and name HB% ) ( segid A and resid 40 and name HG2%) ASSI { 369} (( segid A and resid 37 and name HA )) ( segid A and resid 40 and name HG2%) 3.300 1.400 1.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 2.986 ppm2 1.297 CV 1 OR { 369} (( segid B and resid 37 and name HA )) ( segid B and resid 40 and name HG2%) ASSI { 372} (( segid A and resid 59 and name HA1 )) ( segid A and resid 25 and name HB% ) 4.000 2.000 2.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10416E-02 ppm1 3.513 ppm2 1.302 CV 1 OR { 372} (( segid B and resid 59 and name HA1 )) ( segid B and resid 25 and name HB% ) ASSI { 374} (( segid B and resid 98 and name HE1 )) (( segid B and resid 98 and name HG1 )) 2.000 0.500 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.24381E-01 ppm1 3.012 ppm2 1.305 CV 1 OR { 374} (( segid A and resid 98 and name HE1 )) (( segid A and resid 98 and name HG1 )) OR { 374} (( segid A and resid 98 and name HE2 )) (( segid A and resid 98 and name HG1 )) OR { 374} (( segid B and resid 98 and name HE2 )) (( segid B and resid 98 and name HG1 )) ASSI { 377} (( segid B and resid 98 and name HB2 )) (( segid B and resid 98 and name HG1 )) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.64745E-02 ppm1 1.788 ppm2 1.307 CV 1 OR { 377} (( segid A and resid 98 and name HB2 )) (( segid A and resid 98 and name HG1 )) ASSI { 378} (( segid A and resid 98 and name HA )) (( segid A and resid 98 and name HG1 )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.43785E-02 ppm1 4.406 ppm2 1.308 CV 1 OR { 378} (( segid B and resid 98 and name HA )) (( segid B and resid 98 and name HG1 )) ASSI { 379} (( segid A and resid 98 and name HG2 )) (( segid A and resid 98 and name HG1 )) 1.200 0.200 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.78918E-01 ppm1 1.415 ppm2 1.310 CV 1 OR { 379} (( segid B and resid 98 and name HG2 )) (( segid B and resid 98 and name HG1 )) ASSI { 380} (( segid B and resid 98 and name HD2 )) (( segid B and resid 98 and name HG1 )) 1.900 0.500 0.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.18854E-01 ppm1 1.678 ppm2 1.311 CV 1 OR { 380} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HG1 )) OR { 380} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HG1 )) OR { 380} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HG1 )) ASSI { 384} ( segid B and resid 37 and name HD1%) ( segid B and resid 501 and name HM8%) 2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.53362E-02 ppm1 0.447 ppm2 1.315 CV 1 OR { 384} ( segid A and resid 37 and name HD1%) ( segid A and resid 501 and name HM8%) ASSI { 385} (( segid A and resid 113 and name HA )) ( segid A and resid 113 and name HB% ) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.39521E-02 ppm1 4.037 ppm2 1.323 CV 1 OR { 385} (( segid B and resid 113 and name HA )) ( segid B and resid 113 and name HB% ) ASSI { 387} (( segid A and resid 80 and name HG1 )) ( segid A and resid 76 and name HE% ) 3.000 1.100 1.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 2.039 ppm2 1.354 CV 1 OR { 387} (( segid B and resid 80 and name HG1 )) ( segid B and resid 76 and name HE% ) ASSI { 390} (( segid A and resid 80 and name HG2 )) ( segid A and resid 76 and name HE% ) 2.600 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.47227E-02 ppm1 2.320 ppm2 1.355 CV 1 OR { 390} (( segid B and resid 80 and name HG2 )) ( segid B and resid 76 and name HE% ) ASSI { 401} ( segid A and resid 90 and name HG2%) ( segid A and resid 76 and name HE% ) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.30417E-02 ppm1 0.927 ppm2 1.382 CV 1 OR { 401} ( segid B and resid 90 and name HG2%) ( segid B and resid 76 and name HE% ) ASSI { 402} (( segid B and resid 100 and name HG1 )) (( segid B and resid 100 and name HB1 )) 2.900 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 1.224 ppm2 1.384 CV 1 OR { 402} (( segid A and resid 100 and name HG1 )) (( segid A and resid 100 and name HB1 )) ASSI { 404} (( segid A and resid 100 and name HG2 )) (( segid A and resid 100 and name HB1 )) 2.300 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.60234E-02 ppm1 1.476 ppm2 1.392 CV 1 OR { 404} (( segid B and resid 100 and name HG2 )) (( segid B and resid 100 and name HB1 )) ASSI { 405} (( segid B and resid 100 and name HA )) (( segid B and resid 100 and name HB1 )) 2.500 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.40463E-02 ppm1 4.120 ppm2 1.396 CV 1 OR { 405} (( segid A and resid 100 and name HA )) (( segid A and resid 100 and name HB1 )) ASSI { 407} (( segid A and resid 100 and name HB2 )) (( segid A and resid 100 and name HB1 )) 2.000 0.500 0.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.55341E-02 ppm1 1.695 ppm2 1.399 CV 1 OR { 407} (( segid B and resid 100 and name HB2 )) (( segid B and resid 100 and name HB1 )) ASSI { 409} (( segid A and resid 98 and name HE1 )) (( segid A and resid 98 and name HG2 )) 2.100 0.500 0.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.21679E-01 ppm1 3.013 ppm2 1.415 CV 1 OR { 409} (( segid B and resid 98 and name HE1 )) (( segid B and resid 98 and name HG2 )) OR { 409} (( segid B and resid 98 and name HE2 )) (( segid B and resid 98 and name HG2 )) OR { 409} (( segid A and resid 98 and name HE2 )) (( segid A and resid 98 and name HG2 )) ASSI { 411} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HG2 )) 1.900 0.400 0.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.22668E-01 ppm1 1.681 ppm2 1.416 CV 1 OR { 411} (( segid B and resid 98 and name HD2 )) (( segid B and resid 98 and name HG2 )) OR { 411} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HG2 )) OR { 411} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HG2 )) ASSI { 412} (( segid B and resid 98 and name HA )) (( segid B and resid 98 and name HG2 )) 2.400 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.50189E-02 ppm1 4.406 ppm2 1.419 CV 1 OR { 412} (( segid A and resid 98 and name HA )) (( segid A and resid 98 and name HG2 )) ASSI { 413} (( segid B and resid 98 and name HB1 )) (( segid B and resid 98 and name HG2 )) 2.300 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.76273E-02 ppm1 1.720 ppm2 1.420 CV 1 OR { 413} (( segid A and resid 98 and name HB1 )) (( segid A and resid 98 and name HG2 )) ASSI { 418} ( segid B and resid 29 and name HD1%) ( segid B and resid 30 and name HG2%) 2.000 2.000 4.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.10418E-01 ppm1 0.883 ppm2 1.426 CV 1 OR { 418} ( segid A and resid 29 and name HD1%) ( segid A and resid 30 and name HG2%) ASSI { 419} (( segid A and resid 94 and name HG2 )) ( segid A and resid 92 and name HB% ) 2.300 2.300 3.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.34282E-02 ppm1 2.278 ppm2 1.428 CV 1 OR { 419} (( segid B and resid 94 and name HG2 )) ( segid B and resid 92 and name HB% ) OR { 419} (( segid A and resid 94 and name HG1 )) ( segid A and resid 92 and name HB% ) ASSI { 421} (( segid A and resid 20 and name HB1 )) ( segid A and resid 92 and name HB% ) 3.100 1.200 1.200 peak 421 spectrum 1 weight 0.10000E+01 volume 0.20049E-02 ppm1 2.352 ppm2 1.430 CV 1 OR { 421} (( segid B and resid 20 and name HB1 )) ( segid B and resid 92 and name HB% ) OR { 421} (( segid A and resid 20 and name HB2 )) ( segid A and resid 92 and name HB% ) OR { 421} (( segid B and resid 20 and name HB2 )) ( segid B and resid 92 and name HB% ) ASSI { 424} ( segid A and resid 51 and name HG2%) ( segid A and resid 102 and name HB% ) 3.400 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.45616E-02 ppm1 1.178 ppm2 1.444 CV 1 OR { 424} ( segid B and resid 51 and name HG2%) ( segid B and resid 102 and name HB% ) ASSI { 425} (( segid B and resid 101 and name HA )) ( segid B and resid 102 and name HB% ) 3.300 1.300 1.300 peak 425 spectrum 1 weight 0.10000E+01 volume 0.26134E-02 ppm1 4.612 ppm2 1.445 CV 1 OR { 425} (( segid A and resid 101 and name HA )) ( segid A and resid 102 and name HB% ) ASSI { 429} ( segid B and resid 96 and name HG2%) ( segid B and resid 97 and name HB% ) 3.400 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.89190E-02 ppm1 1.048 ppm2 1.450 CV 1 OR { 429} ( segid A and resid 96 and name HG2%) ( segid A and resid 97 and name HB% ) ASSI { 431} ( segid A and resid 53 and name HB% ) (( segid A and resid 54 and name HB1 )) 3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.18324E-02 ppm1 0.604 ppm2 1.462 CV 1 OR { 431} ( segid B and resid 53 and name HB% ) (( segid B and resid 54 and name HB1 )) OR { 431} ( segid B and resid 53 and name HB% ) (( segid B and resid 54 and name HB2 )) OR { 431} ( segid A and resid 53 and name HB% ) (( segid A and resid 54 and name HB2 )) ASSI { 432} (( segid A and resid 98 and name HB2 )) ( segid A and resid 97 and name HB% ) 2.200 2.200 3.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.44898E-02 ppm1 1.781 ppm2 1.464 CV 1 OR { 432} (( segid B and resid 98 and name HB2 )) ( segid B and resid 97 and name HB% ) ASSI { 433} (( segid A and resid 98 and name HE1 )) ( segid A and resid 97 and name HB% ) 2.000 2.000 4.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.95346E-02 ppm1 3.011 ppm2 1.466 CV 1 OR { 433} (( segid B and resid 98 and name HE1 )) ( segid B and resid 97 and name HB% ) OR { 433} (( segid A and resid 98 and name HE2 )) ( segid A and resid 97 and name HB% ) OR { 433} (( segid B and resid 98 and name HE2 )) ( segid B and resid 97 and name HB% ) ASSI { 436} ( segid A and resid 90 and name HD1%) (( segid A and resid 90 and name HG12)) 2.000 0.500 0.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.15122E-01 ppm1 0.650 ppm2 1.469 CV 1 OR { 436} ( segid B and resid 90 and name HD1%) (( segid B and resid 90 and name HG12)) ASSI { 439} (( segid B and resid 96 and name HA )) ( segid B and resid 97 and name HB% ) 2.900 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.11684E-01 ppm1 4.856 ppm2 1.471 CV 1 OR { 439} (( segid A and resid 96 and name HA )) ( segid A and resid 97 and name HB% ) ASSI { 440} ( segid B and resid 88 and name HG2%) (( segid B and resid 90 and name HG12)) 3.200 1.300 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.28457E-02 ppm1 0.228 ppm2 1.471 CV 1 OR { 440} ( segid A and resid 88 and name HG2%) (( segid A and resid 90 and name HG12)) ASSI { 441} (( segid A and resid 90 and name HA )) (( segid A and resid 90 and name HG12)) 3.000 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 4.047 ppm2 1.472 CV 1 OR { 441} (( segid B and resid 90 and name HA )) (( segid B and resid 90 and name HG12)) ASSI { 443} (( segid A and resid 91 and name HA )) (( segid A and resid 90 and name HG12)) 2.400 2.400 3.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.27882E-02 ppm1 4.479 ppm2 1.475 CV 1 OR { 443} (( segid B and resid 91 and name HA )) (( segid B and resid 90 and name HG12)) ASSI { 444} (( segid A and resid 97 and name HA )) ( segid A and resid 97 and name HB% ) 1.900 0.400 0.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.36520E-01 ppm1 4.449 ppm2 1.480 CV 1 OR { 444} (( segid B and resid 97 and name HA )) ( segid B and resid 97 and name HB% ) ASSI { 445} (( segid A and resid 98 and name HB1 )) ( segid A and resid 97 and name HB% ) 2.200 2.200 3.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.51547E-02 ppm1 1.713 ppm2 1.480 CV 1 OR { 445} (( segid B and resid 98 and name HB1 )) ( segid B and resid 97 and name HB% ) ASSI { 447} (( segid B and resid 100 and name HD2 )) (( segid B and resid 100 and name HG2 )) 2.800 1.000 1.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.26822E-02 ppm1 2.888 ppm2 1.485 CV 1 OR { 447} (( segid A and resid 100 and name HD2 )) (( segid A and resid 100 and name HG2 )) OR { 447} (( segid B and resid 100 and name HD1 )) (( segid B and resid 100 and name HG2 )) OR { 447} (( segid A and resid 100 and name HD1 )) (( segid A and resid 100 and name HG2 )) ASSI { 450} (( segid B and resid 100 and name HA )) (( segid B and resid 100 and name HG2 )) 2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.28260E-02 ppm1 4.128 ppm2 1.489 CV 1 OR { 450} (( segid A and resid 100 and name HA )) (( segid A and resid 100 and name HG2 )) ASSI { 451} (( segid B and resid 74 and name HA )) ( segid B and resid 73 and name HB% ) 3.400 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.25697E-02 ppm1 4.005 ppm2 1.489 CV 1 OR { 451} (( segid A and resid 74 and name HA )) ( segid A and resid 73 and name HB% ) ASSI { 457} (( segid B and resid 74 and name HB2 )) ( segid B and resid 73 and name HB% ) 4.000 2.000 2.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 2.243 ppm2 1.492 CV 1 OR { 457} (( segid A and resid 74 and name HB2 )) ( segid A and resid 73 and name HB% ) ASSI { 459} (( segid B and resid 73 and name HA )) ( segid B and resid 73 and name HB% ) 1.800 0.400 0.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.36556E-01 ppm1 4.012 ppm2 1.492 CV 1 OR { 459} (( segid A and resid 73 and name HA )) ( segid A and resid 73 and name HB% ) ASSI { 460} (( segid A and resid 79 and name HA )) (( segid A and resid 79 and name HB )) 3.100 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 3.624 ppm2 1.492 CV 1 OR { 460} (( segid B and resid 79 and name HA )) (( segid B and resid 79 and name HB )) ASSI { 463} (( segid B and resid 76 and name HA )) (( segid B and resid 79 and name HB )) 2.900 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.41379E-02 ppm1 4.363 ppm2 1.495 CV 1 OR { 463} (( segid A and resid 76 and name HA )) (( segid A and resid 79 and name HB )) ASSI { 464} (( segid B and resid 79 and name HG12)) (( segid B and resid 79 and name HB )) 3.300 1.400 1.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.15116E-02 ppm1 1.144 ppm2 1.495 CV 1 OR { 464} (( segid A and resid 79 and name HG12)) (( segid A and resid 79 and name HB )) ASSI { 467} (( segid A and resid 79 and name HG11)) (( segid A and resid 79 and name HB )) 3.000 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 -0.905 ppm2 1.497 CV 1 OR { 467} (( segid B and resid 79 and name HG11)) (( segid B and resid 79 and name HB )) ASSI { 470} (( segid B and resid 31 and name HB2 )) (( segid B and resid 31 and name HB1 )) 2.200 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.30945E-02 ppm1 1.851 ppm2 1.520 CV 1 OR { 470} (( segid A and resid 31 and name HB2 )) (( segid A and resid 31 and name HB1 )) ASSI { 471} (( segid A and resid 117 and name HB1 )) (( segid A and resid 118 and name HB2 )) 3.800 1.800 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 3.926 ppm2 1.529 CV 1 OR { 471} (( segid B and resid 117 and name HB1 )) (( segid B and resid 118 and name HB2 )) OR { 471} (( segid A and resid 117 and name HB2 )) (( segid A and resid 118 and name HB2 )) OR { 471} (( segid B and resid 117 and name HB2 )) (( segid B and resid 118 and name HB2 )) OR { 471} (( segid A and resid 117 and name HB1 )) (( segid A and resid 118 and name HB1 )) OR { 471} (( segid B and resid 117 and name HB1 )) (( segid B and resid 118 and name HB1 )) OR { 471} (( segid A and resid 117 and name HB2 )) (( segid A and resid 118 and name HB1 )) ASSI { 472} (( segid A and resid 85 and name HA )) ( segid A and resid 26 and name HB% ) 3.000 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.28363E-02 ppm1 5.537 ppm2 1.537 CV 1 OR { 472} (( segid B and resid 85 and name HA )) ( segid B and resid 26 and name HB% ) ASSI { 478} (( segid A and resid 27 and name HA )) ( segid A and resid 26 and name HB% ) 3.300 1.300 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 4.473 ppm2 1.542 CV 1 OR { 478} (( segid B and resid 27 and name HA )) ( segid B and resid 26 and name HB% ) ASSI { 481} ( segid B and resid 16 and name HD2%) (( segid B and resid 16 and name HG )) 1.700 0.400 0.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.27928E-01 ppm1 0.790 ppm2 1.547 CV 1 OR { 481} ( segid A and resid 16 and name HD2%) (( segid A and resid 16 and name HG )) ASSI { 482} (( segid A and resid 34 and name HA )) (( segid A and resid 34 and name HB1 )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.25130E-02 ppm1 4.034 ppm2 1.548 CV 1 OR { 482} (( segid B and resid 34 and name HA )) (( segid B and resid 34 and name HB1 )) ASSI { 487} (( segid A and resid 98 and name HD1 )) (( segid A and resid 16 and name HG )) 2.400 0.700 0.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.71703E-02 ppm1 1.688 ppm2 1.554 CV 1 OR { 487} (( segid B and resid 98 and name HD1 )) (( segid B and resid 16 and name HG )) OR { 487} (( segid A and resid 98 and name HD2 )) (( segid A and resid 16 and name HG )) OR { 487} (( segid B and resid 98 and name HD2 )) (( segid B and resid 16 and name HG )) ASSI { 488} ( segid B and resid 34 and name HD2%) (( segid B and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.43029E-02 ppm1 0.637 ppm2 1.560 CV 1 OR { 488} ( segid A and resid 34 and name HD2%) (( segid A and resid 34 and name HB1 )) ASSI { 489} (( segid B and resid 44 and name HB1 )) ( segid B and resid 43 and name HB% ) 2.700 2.700 3.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16058E-02 ppm1 3.194 ppm2 1.564 CV 1 OR { 489} (( segid A and resid 44 and name HB1 )) ( segid A and resid 43 and name HB% ) ASSI { 491} (( segid B and resid 44 and name HA )) ( segid B and resid 43 and name HB% ) 3.300 1.300 1.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 4.204 ppm2 1.566 CV 1 OR { 491} (( segid A and resid 44 and name HA )) ( segid A and resid 43 and name HB% ) ASSI { 492} (( segid A and resid 91 and name HA )) (( segid A and resid 91 and name HB1 )) 2.600 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.46707E-02 ppm1 4.479 ppm2 1.569 CV 1 OR { 492} (( segid B and resid 91 and name HA )) (( segid B and resid 91 and name HB1 )) OR { 492} (( segid A and resid 91 and name HA )) (( segid A and resid 91 and name HB2 )) OR { 492} (( segid B and resid 91 and name HA )) (( segid B and resid 91 and name HB2 )) ASSI { 498} (( segid B and resid 118 and name HA )) (( segid B and resid 118 and name HG )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.41318E-02 ppm1 4.188 ppm2 1.589 CV 1 OR { 498} (( segid A and resid 118 and name HA )) (( segid A and resid 118 and name HG )) ASSI { 499} ( segid A and resid 118 and name HD2%) (( segid A and resid 118 and name HG )) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.56702E-02 ppm1 0.588 ppm2 1.590 CV 1 OR { 499} ( segid B and resid 118 and name HD2%) (( segid B and resid 118 and name HG )) ASSI { 505} (( segid A and resid 35 and name HA )) (( segid A and resid 35 and name HB1 )) 2.500 0.800 0.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.46548E-02 ppm1 4.036 ppm2 1.617 CV 1 OR { 505} (( segid B and resid 35 and name HA )) (( segid B and resid 35 and name HB1 )) ASSI { 506} (( segid B and resid 47 and name HA )) ( segid B and resid 46 and name HB% ) 2.900 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.50276E-02 ppm1 4.145 ppm2 1.621 CV 1 OR { 506} (( segid A and resid 47 and name HA )) ( segid A and resid 46 and name HB% ) ASSI { 508} (( segid A and resid 22 and name HD1 )) (( segid A and resid 22 and name HB1 )) 3.300 1.400 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 3.219 ppm2 1.623 CV 1 OR { 508} (( segid B and resid 22 and name HD2 )) (( segid B and resid 22 and name HB1 )) OR { 508} (( segid A and resid 22 and name HD2 )) (( segid A and resid 22 and name HB1 )) OR { 508} (( segid B and resid 22 and name HD1 )) (( segid B and resid 22 and name HB1 )) ASSI { 509} ( segid B and resid 35 and name HD1%) (( segid B and resid 35 and name HB1 )) 2.500 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.57661E-02 ppm1 0.999 ppm2 1.629 CV 1 OR { 509} ( segid A and resid 35 and name HD1%) (( segid A and resid 35 and name HB1 )) ASSI { 510} (( segid B and resid 65 and name HB2 )) (( segid B and resid 65 and name HB1 )) 2.100 0.500 0.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.40470E-02 ppm1 1.755 ppm2 1.632 CV 1 OR { 510} (( segid A and resid 65 and name HB2 )) (( segid A and resid 65 and name HB1 )) ASSI { 513} (( segid A and resid 29 and name HB2 )) (( segid A and resid 29 and name HB1 )) 2.000 0.500 0.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.48000E-02 ppm1 1.941 ppm2 1.635 CV 1 OR { 513} (( segid B and resid 29 and name HB2 )) (( segid B and resid 29 and name HB1 )) ASSI { 515} (( segid A and resid 70 and name HA )) ( segid A and resid 70 and name HB% ) 1.700 0.300 0.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.58506E-01 ppm1 4.335 ppm2 1.636 CV 1 OR { 515} (( segid B and resid 70 and name HA )) ( segid B and resid 70 and name HB% ) ASSI { 516} (( segid B and resid 69 and name HB2 )) ( segid B and resid 70 and name HB% ) 3.500 1.500 1.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17418E-02 ppm1 2.311 ppm2 1.638 CV 1 OR { 516} (( segid A and resid 69 and name HB2 )) ( segid A and resid 70 and name HB% ) ASSI { 517} (( segid B and resid 50 and name HA )) (( segid B and resid 50 and name HG )) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 5.600 ppm2 1.639 CV 1 OR { 517} (( segid A and resid 50 and name HA )) (( segid A and resid 50 and name HG )) ASSI { 519} ( segid B and resid 73 and name HB% ) ( segid B and resid 70 and name HB% ) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.28350E-01 ppm1 1.496 ppm2 1.639 CV 1 OR { 519} ( segid A and resid 73 and name HB% ) ( segid A and resid 70 and name HB% ) ASSI { 520} (( segid B and resid 69 and name HB1 )) ( segid B and resid 70 and name HB% ) 3.800 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.18548E-02 ppm1 2.030 ppm2 1.640 CV 1 OR { 520} (( segid A and resid 69 and name HB1 )) ( segid A and resid 70 and name HB% ) ASSI { 521} ( segid A and resid 48 and name HB% ) (( segid A and resid 50 and name HG )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.88568E-02 ppm1 1.125 ppm2 1.642 CV 1 OR { 521} ( segid B and resid 48 and name HB% ) (( segid B and resid 50 and name HG )) OR { 521} ( segid B and resid 48 and name HB% ) (( segid B and resid 50 and name HB1 )) OR { 521} ( segid A and resid 48 and name HB% ) (( segid A and resid 50 and name HB2 )) OR { 521} ( segid B and resid 48 and name HB% ) (( segid B and resid 50 and name HB2 )) ASSI { 522} (( segid A and resid 29 and name HG )) (( segid A and resid 29 and name HB1 )) 2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.38261E-02 ppm1 1.257 ppm2 1.643 CV 1 OR { 522} (( segid B and resid 29 and name HG )) (( segid B and resid 29 and name HB1 )) ASSI { 523} ( segid B and resid 106 and name HE% ) (( segid B and resid 54 and name HG )) 2.900 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.69477E-02 ppm1 2.071 ppm2 1.643 CV 1 OR { 523} ( segid A and resid 106 and name HE% ) (( segid A and resid 54 and name HG )) ASSI { 524} (( segid A and resid 54 and name HA )) (( segid A and resid 54 and name HG )) 3.600 1.700 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 5.296 ppm2 1.646 CV 1 OR { 524} (( segid B and resid 54 and name HA )) (( segid B and resid 54 and name HG )) ASSI { 527} (( segid A and resid 22 and name HA )) (( segid A and resid 22 and name HB1 )) 3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 5.709 ppm2 1.652 CV 1 OR { 527} (( segid B and resid 22 and name HA )) (( segid B and resid 22 and name HB1 )) ASSI { 531} ( segid A and resid 5 and name HD1%) (( segid A and resid 5 and name HB2 )) 2.000 0.500 0.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.49648E-01 ppm1 0.907 ppm2 1.663 CV 1 OR { 531} ( segid A and resid 5 and name HD1%) (( segid A and resid 5 and name HB1 )) OR { 531} (( segid B and resid 5 and name HD12)) (( segid B and resid 5 and name HB1 )) OR { 531} (( segid B and resid 5 and name HD11)) (( segid B and resid 5 and name HB1 )) OR { 531} (( segid B and resid 5 and name HD12)) (( segid B and resid 5 and name HB2 )) OR { 531} (( segid B and resid 5 and name HD13)) (( segid B and resid 5 and name HB1 )) ASSI { 532} (( segid B and resid 121 and name HA )) (( segid B and resid 120 and name HB1 )) 2.900 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.27226E-02 ppm1 4.351 ppm2 1.666 CV 1 OR { 532} (( segid A and resid 121 and name HA )) (( segid A and resid 120 and name HB1 )) ASSI { 533} ( segid A and resid 5 and name HD2%) (( segid A and resid 5 and name HB2 )) 1.800 0.400 0.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.65337E-01 ppm1 0.963 ppm2 1.669 CV 1 OR { 533} ( segid A and resid 5 and name HD2%) (( segid A and resid 5 and name HB1 )) OR { 533} (( segid B and resid 5 and name HD21)) (( segid B and resid 5 and name HB1 )) OR { 533} (( segid B and resid 5 and name HD21)) (( segid B and resid 5 and name HB2 )) OR { 533} (( segid B and resid 5 and name HD23)) (( segid B and resid 5 and name HB2 )) OR { 533} (( segid B and resid 5 and name HD22)) (( segid B and resid 5 and name HB2 )) ASSI { 534} (( segid B and resid 35 and name HB2 )) (( segid B and resid 35 and name HB1 )) 2.200 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.26475E-02 ppm1 1.971 ppm2 1.669 CV 1 OR { 534} (( segid A and resid 35 and name HB2 )) (( segid A and resid 35 and name HB1 )) ASSI { 535} (( segid B and resid 5 and name HA )) (( segid B and resid 5 and name HB2 )) 2.000 0.500 0.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.22420E-01 ppm1 4.398 ppm2 1.675 CV 1 OR { 535} (( segid A and resid 5 and name HA )) (( segid A and resid 5 and name HB1 )) OR { 535} (( segid B and resid 5 and name HA )) (( segid B and resid 5 and name HB1 )) OR { 535} (( segid A and resid 5 and name HA )) (( segid A and resid 5 and name HB2 )) ASSI { 537} (( segid A and resid 32 and name HA )) (( segid A and resid 31 and name HG )) 2.400 2.400 3.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.29741E-02 ppm1 3.981 ppm2 1.680 CV 1 OR { 537} (( segid B and resid 32 and name HA )) (( segid B and resid 31 and name HG )) ASSI { 540} ( segid A and resid 97 and name HB% ) (( segid A and resid 98 and name HB1 )) 2.500 2.500 3.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13054E-01 ppm1 1.478 ppm2 1.682 CV 1 OR { 540} ( segid B and resid 97 and name HB% ) (( segid B and resid 98 and name HB1 )) OR { 540} ( segid A and resid 97 and name HB% ) (( segid A and resid 98 and name HD1 )) OR { 540} ( segid B and resid 97 and name HB% ) (( segid B and resid 98 and name HD1 )) OR { 540} ( segid A and resid 97 and name HB% ) (( segid A and resid 98 and name HD2 )) ASSI { 542} (( segid A and resid 98 and name HG1 )) (( segid A and resid 98 and name HB1 )) 2.000 0.500 0.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19707E-01 ppm1 1.307 ppm2 1.683 CV 1 OR { 542} (( segid B and resid 98 and name HG1 )) (( segid B and resid 98 and name HB1 )) ASSI { 543} (( segid B and resid 89 and name HG1 )) (( segid B and resid 91 and name HG )) 3.200 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.18207E-02 ppm1 2.043 ppm2 1.690 CV 1 OR { 543} (( segid A and resid 89 and name HG1 )) (( segid A and resid 91 and name HG )) ASSI { 546} (( segid A and resid 100 and name HG2 )) (( segid A and resid 100 and name HB2 )) 2.900 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.37592E-02 ppm1 1.494 ppm2 1.701 CV 1 OR { 546} (( segid B and resid 100 and name HG2 )) (( segid B and resid 100 and name HB2 )) ASSI { 548} (( segid B and resid 100 and name HA )) (( segid B and resid 100 and name HB2 )) 2.900 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.35817E-02 ppm1 4.125 ppm2 1.705 CV 1 OR { 548} (( segid A and resid 100 and name HA )) (( segid A and resid 100 and name HB2 )) ASSI { 550} (( segid A and resid 89 and name HB2 )) (( segid A and resid 91 and name HG )) 2.900 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.33342E-02 ppm1 2.074 ppm2 1.706 CV 1 OR { 550} (( segid B and resid 89 and name HB2 )) (( segid B and resid 91 and name HG )) ASSI { 551} (( segid A and resid 22 and name HA )) (( segid A and resid 22 and name HG1 )) 3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 5.711 ppm2 1.709 CV 1 OR { 551} (( segid B and resid 22 and name HA )) (( segid B and resid 22 and name HG2 )) OR { 551} (( segid A and resid 22 and name HA )) (( segid A and resid 22 and name HG2 )) OR { 551} (( segid B and resid 22 and name HA )) (( segid B and resid 22 and name HG1 )) ASSI { 552} (( segid A and resid 81 and name HB2 )) (( segid A and resid 81 and name HG1 )) 2.100 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.15272E-01 ppm1 1.980 ppm2 1.709 CV 1 OR { 552} (( segid B and resid 81 and name HB2 )) (( segid B and resid 81 and name HG2 )) OR { 552} (( segid A and resid 81 and name HB2 )) (( segid A and resid 81 and name HG2 )) OR { 552} (( segid B and resid 81 and name HB2 )) (( segid B and resid 81 and name HG1 )) ASSI { 553} (( segid A and resid 22 and name HB1 )) (( segid A and resid 22 and name HG1 )) 2.800 1.000 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.26557E-02 ppm1 1.623 ppm2 1.712 CV 1 OR { 553} (( segid B and resid 22 and name HB1 )) (( segid B and resid 22 and name HG2 )) OR { 553} (( segid B and resid 22 and name HB1 )) (( segid B and resid 22 and name HG1 )) OR { 553} (( segid A and resid 22 and name HB1 )) (( segid A and resid 22 and name HG2 )) ASSI { 554} (( segid B and resid 24 and name HA )) (( segid B and resid 24 and name HB2 )) 2.800 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.28642E-02 ppm1 5.112 ppm2 1.712 CV 1 OR { 554} (( segid A and resid 24 and name HA )) (( segid A and resid 24 and name HB1 )) OR { 554} (( segid B and resid 24 and name HA )) (( segid B and resid 24 and name HB1 )) OR { 554} (( segid A and resid 24 and name HA )) (( segid A and resid 24 and name HB2 )) ASSI { 555} ( segid B and resid 16 and name HD2%) (( segid B and resid 98 and name HB1 )) 2.200 0.600 0.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.10429E-01 ppm1 0.791 ppm2 1.714 CV 1 OR { 555} ( segid A and resid 16 and name HD2%) (( segid A and resid 98 and name HB1 )) ASSI { 556} (( segid B and resid 98 and name HB2 )) (( segid B and resid 98 and name HB1 )) 1.200 0.200 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.61687E-01 ppm1 1.792 ppm2 1.718 CV 1 OR { 556} (( segid A and resid 98 and name HB2 )) (( segid A and resid 98 and name HB1 )) ASSI { 557} (( segid A and resid 98 and name HA )) (( segid A and resid 98 and name HB1 )) 2.100 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.13514E-01 ppm1 4.402 ppm2 1.719 CV 1 OR { 557} (( segid B and resid 98 and name HA )) (( segid B and resid 98 and name HB1 )) ASSI { 558} ( segid A and resid 96 and name HD1%) (( segid A and resid 98 and name HB1 )) 3.600 1.600 1.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.23593E-02 ppm1 0.924 ppm2 1.722 CV 1 OR { 558} ( segid B and resid 96 and name HD1%) (( segid B and resid 98 and name HB1 )) ASSI { 560} (( segid B and resid 44 and name HA )) (( segid B and resid 47 and name HG1 )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 4.214 ppm2 1.727 CV 1 OR { 560} (( segid A and resid 44 and name HA )) (( segid A and resid 47 and name HG1 )) OR { 560} (( segid B and resid 44 and name HA )) (( segid B and resid 47 and name HG2 )) OR { 560} (( segid A and resid 44 and name HA )) (( segid A and resid 47 and name HG2 )) ASSI { 561} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HG1 )) 2.300 0.600 0.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.12471E-01 ppm1 4.144 ppm2 1.729 CV 1 OR { 561} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HG1 )) OR { 561} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HG2 )) OR { 561} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HG2 )) ASSI { 562} (( segid B and resid 22 and name HD1 )) (( segid B and resid 22 and name HG2 )) 2.400 0.700 0.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.61496E-02 ppm1 3.221 ppm2 1.729 CV 1 OR { 562} (( segid A and resid 22 and name HD2 )) (( segid A and resid 22 and name HG1 )) OR { 562} (( segid B and resid 22 and name HD2 )) (( segid B and resid 22 and name HG1 )) OR { 562} (( segid B and resid 22 and name HD1 )) (( segid B and resid 22 and name HG1 )) OR { 562} (( segid A and resid 22 and name HD2 )) (( segid A and resid 22 and name HG2 )) OR { 562} (( segid B and resid 22 and name HD2 )) (( segid B and resid 22 and name HG2 )) OR { 562} (( segid A and resid 22 and name HD1 )) (( segid A and resid 22 and name HG1 )) ASSI { 568} (( segid B and resid 48 and name HA )) ( segid B and resid 71 and name HB% ) 3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.24893E-02 ppm1 4.349 ppm2 1.753 CV 1 OR { 568} (( segid A and resid 48 and name HA )) ( segid A and resid 71 and name HB% ) ASSI { 569} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HG2 )) 2.400 0.700 0.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.11579E-01 ppm1 4.514 ppm2 1.754 CV 1 OR { 569} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HG1 )) OR { 569} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HG2 )) OR { 569} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HG1 )) ASSI { 574} (( segid B and resid 87 and name HA )) (( segid B and resid 88 and name HB )) 3.500 1.600 1.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 4.192 ppm2 1.760 CV 1 OR { 574} (( segid A and resid 87 and name HA )) (( segid A and resid 88 and name HB )) ASSI { 575} (( segid A and resid 72 and name HA )) ( segid A and resid 71 and name HB% ) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.28930E-02 ppm1 3.457 ppm2 1.760 CV 1 OR { 575} (( segid B and resid 72 and name HA )) ( segid B and resid 71 and name HB% ) ASSI { 576} ( segid A and resid 65 and name HD1%) (( segid A and resid 65 and name HG )) 1.800 0.400 0.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.37414E-01 ppm1 0.913 ppm2 1.760 CV 1 OR { 576} ( segid B and resid 65 and name HD1%) (( segid B and resid 65 and name HG )) OR { 576} ( segid A and resid 65 and name HD1%) (( segid A and resid 65 and name HB2 )) OR { 576} ( segid B and resid 65 and name HD1%) (( segid B and resid 65 and name HB2 )) ASSI { 577} ( segid B and resid 72 and name HG2%) ( segid B and resid 71 and name HB% ) 2.600 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.11777E-01 ppm1 0.742 ppm2 1.761 CV 1 OR { 577} ( segid A and resid 72 and name HG2%) ( segid A and resid 71 and name HB% ) ASSI { 579} (( segid A and resid 71 and name HA )) ( segid A and resid 71 and name HB% ) 1.900 0.400 0.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.31851E-01 ppm1 4.425 ppm2 1.762 CV 1 OR { 579} (( segid B and resid 71 and name HA )) ( segid B and resid 71 and name HB% ) ASSI { 580} (( segid B and resid 80 and name HG1 )) (( segid B and resid 76 and name HB1 )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29435E-02 ppm1 2.049 ppm2 1.763 CV 1 OR { 580} (( segid A and resid 80 and name HG1 )) (( segid A and resid 76 and name HB1 )) ASSI { 585} ( segid A and resid 88 and name HG1%) (( segid A and resid 88 and name HB )) 2.100 0.600 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.12991E-01 ppm1 0.135 ppm2 1.771 CV 1 OR { 585} ( segid B and resid 88 and name HG1%) (( segid B and resid 88 and name HB )) ASSI { 586} ( segid A and resid 72 and name HG1%) ( segid A and resid 71 and name HB% ) 3.000 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.96136E-02 ppm1 0.803 ppm2 1.772 CV 1 OR { 586} ( segid B and resid 72 and name HG1%) ( segid B and resid 71 and name HB% ) ASSI { 587} (( segid B and resid 76 and name HA )) (( segid B and resid 76 and name HB1 )) 2.400 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 4.348 ppm2 1.772 CV 1 OR { 587} (( segid A and resid 76 and name HA )) (( segid A and resid 76 and name HB1 )) ASSI { 589} ( segid A and resid 73 and name HB% ) (( segid A and resid 76 and name HB1 )) 3.000 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.69884E-02 ppm1 1.493 ppm2 1.772 CV 1 OR { 589} ( segid B and resid 73 and name HB% ) (( segid B and resid 76 and name HB1 )) ASSI { 590} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HB1 )) 2.300 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.11402E-01 ppm1 1.361 ppm2 1.773 CV 1 OR { 590} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HB1 )) ASSI { 592} (( segid A and resid 76 and name HB2 )) (( segid A and resid 76 and name HB1 )) 1.900 0.400 0.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.68927E-02 ppm1 2.071 ppm2 1.775 CV 1 OR { 592} (( segid B and resid 76 and name HB2 )) (( segid B and resid 76 and name HB1 )) ASSI { 594} (( segid B and resid 80 and name HG2 )) (( segid B and resid 76 and name HB1 )) 2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.30639E-02 ppm1 2.331 ppm2 1.777 CV 1 OR { 594} (( segid A and resid 80 and name HG2 )) (( segid A and resid 76 and name HB1 )) ASSI { 596} (( segid A and resid 77 and name HB2 )) (( segid A and resid 76 and name HB1 )) 4.100 2.100 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 3.871 ppm2 1.778 CV 1 OR { 596} (( segid A and resid 77 and name HB1 )) (( segid A and resid 76 and name HB1 )) OR { 596} (( segid B and resid 77 and name HB2 )) (( segid B and resid 76 and name HB1 )) OR { 596} (( segid B and resid 77 and name HB1 )) (( segid B and resid 76 and name HB1 )) ASSI { 600} (( segid A and resid 23 and name HA )) (( segid A and resid 88 and name HB )) 3.900 1.900 1.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 5.102 ppm2 1.780 CV 1 OR { 600} (( segid B and resid 23 and name HA )) (( segid B and resid 88 and name HB )) ASSI { 601} (( segid B and resid 88 and name HA )) (( segid B and resid 88 and name HB )) 2.900 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 3.723 ppm2 1.781 CV 1 OR { 601} (( segid A and resid 88 and name HA )) (( segid A and resid 88 and name HB )) ASSI { 603} (( segid A and resid 73 and name HA )) (( segid A and resid 76 and name HB1 )) 3.600 1.600 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.29437E-02 ppm1 4.011 ppm2 1.783 CV 1 OR { 603} (( segid B and resid 73 and name HA )) (( segid B and resid 76 and name HB1 )) ASSI { 606} ( segid A and resid 65 and name HD2%) (( segid A and resid 65 and name HG )) 2.100 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.13611E-01 ppm1 0.975 ppm2 1.790 CV 1 OR { 606} ( segid B and resid 65 and name HD2%) (( segid B and resid 65 and name HG )) OR { 606} ( segid B and resid 65 and name HD2%) (( segid B and resid 65 and name HB2 )) ASSI { 608} (( segid A and resid 98 and name HG2 )) (( segid A and resid 98 and name HB2 )) 2.300 0.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.97350E-02 ppm1 1.417 ppm2 1.792 CV 1 OR { 608} (( segid B and resid 98 and name HG2 )) (( segid B and resid 98 and name HB2 )) ASSI { 610} (( segid A and resid 98 and name HE1 )) (( segid A and resid 98 and name HB2 )) 2.900 1.000 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.58438E-02 ppm1 3.017 ppm2 1.795 CV 1 OR { 610} (( segid B and resid 98 and name HE1 )) (( segid B and resid 98 and name HB2 )) OR { 610} (( segid A and resid 98 and name HE2 )) (( segid A and resid 98 and name HB2 )) OR { 610} (( segid B and resid 98 and name HE2 )) (( segid B and resid 98 and name HB2 )) ASSI { 611} ( segid A and resid 38 and name HG1%) (( segid A and resid 37 and name HB )) 3.200 3.200 2.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 1.214 ppm2 1.795 CV 1 OR { 611} ( segid B and resid 38 and name HG1%) (( segid B and resid 37 and name HB )) ASSI { 613} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HB2 )) 2.400 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12868E-01 ppm1 1.682 ppm2 1.806 CV 1 OR { 613} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HB2 )) OR { 613} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HB2 )) OR { 613} (( segid B and resid 98 and name HD2 )) (( segid B and resid 98 and name HB2 )) ASSI { 614} (( segid B and resid 16 and name HG )) (( segid B and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.44472E-02 ppm1 1.553 ppm2 1.808 CV 1 OR { 614} (( segid A and resid 16 and name HG )) (( segid A and resid 16 and name HB2 )) ASSI { 615} (( segid A and resid 81 and name HG2 )) (( segid A and resid 81 and name HB1 )) 1.600 0.300 0.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.74299E-01 ppm1 1.703 ppm2 1.812 CV 1 OR { 615} (( segid B and resid 81 and name HG1 )) (( segid B and resid 81 and name HB1 )) OR { 615} (( segid A and resid 81 and name HG1 )) (( segid A and resid 81 and name HB1 )) OR { 615} (( segid B and resid 81 and name HG2 )) (( segid B and resid 81 and name HB1 )) ASSI { 616} (( segid A and resid 22 and name HD1 )) (( segid A and resid 22 and name HB2 )) 3.500 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.24036E-02 ppm1 3.221 ppm2 1.815 CV 1 OR { 616} (( segid B and resid 22 and name HD2 )) (( segid B and resid 22 and name HB2 )) OR { 616} (( segid A and resid 22 and name HD2 )) (( segid A and resid 22 and name HB2 )) OR { 616} (( segid B and resid 22 and name HD1 )) (( segid B and resid 22 and name HB2 )) ASSI { 617} ( segid B and resid 34 and name HD1%) (( segid B and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 617 spectrum 1 weight 0.10000E+01 volume 0.20004E-02 ppm1 0.747 ppm2 1.815 CV 1 OR { 617} ( segid A and resid 34 and name HD1%) (( segid A and resid 34 and name HB2 )) ASSI { 618} ( segid A and resid 16 and name HD2%) (( segid A and resid 16 and name HB2 )) 1.900 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.13497E-01 ppm1 0.792 ppm2 1.817 CV 1 OR { 618} ( segid B and resid 16 and name HD2%) (( segid B and resid 16 and name HB2 )) ASSI { 619} ( segid A and resid 96 and name HD1%) (( segid A and resid 98 and name HB2 )) 3.000 1.100 1.100 peak 619 spectrum 1 weight 0.10000E+01 volume 0.35142E-02 ppm1 0.920 ppm2 1.817 CV 1 OR { 619} ( segid B and resid 96 and name HD1%) (( segid B and resid 98 and name HB2 )) ASSI { 621} ( segid A and resid 34 and name HD2%) (( segid A and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 621 spectrum 1 weight 0.10000E+01 volume 0.24516E-02 ppm1 0.639 ppm2 1.820 CV 1 OR { 621} ( segid B and resid 34 and name HD2%) (( segid B and resid 34 and name HB2 )) ASSI { 622} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HB1 )) 2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.81454E-02 ppm1 4.512 ppm2 1.820 CV 1 OR { 622} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HB1 )) ASSI { 623} ( segid B and resid 73 and name HB% ) (( segid B and resid 72 and name HB )) 3.000 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57496E-02 ppm1 1.487 ppm2 1.821 CV 1 OR { 623} ( segid A and resid 73 and name HB% ) (( segid A and resid 72 and name HB )) ASSI { 626} ( segid B and resid 16 and name HD1%) (( segid B and resid 16 and name HB2 )) 2.700 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.80868E-02 ppm1 0.764 ppm2 1.825 CV 1 OR { 626} ( segid A and resid 16 and name HD1%) (( segid A and resid 16 and name HB2 )) ASSI { 629} (( segid B and resid 34 and name HB1 )) (( segid B and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.32287E-02 ppm1 1.552 ppm2 1.827 CV 1 OR { 629} (( segid A and resid 34 and name HB1 )) (( segid A and resid 34 and name HB2 )) ASSI { 631} ( segid B and resid 37 and name HD1%) (( segid B and resid 37 and name HB )) 2.700 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.52783E-02 ppm1 0.443 ppm2 1.830 CV 1 OR { 631} ( segid A and resid 37 and name HD1%) (( segid A and resid 37 and name HB )) ASSI { 632} (( segid A and resid 72 and name HA )) (( segid A and resid 72 and name HB )) 2.900 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 3.457 ppm2 1.831 CV 1 OR { 632} (( segid B and resid 72 and name HA )) (( segid B and resid 72 and name HB )) ASSI { 633} ( segid B and resid 17 and name HG1%) (( segid B and resid 72 and name HB )) 2.700 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.54599E-02 ppm1 0.883 ppm2 1.833 CV 1 OR { 633} ( segid A and resid 17 and name HG1%) (( segid A and resid 72 and name HB )) ASSI { 635} (( segid B and resid 81 and name HB2 )) (( segid B and resid 81 and name HB1 )) 1.300 0.200 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.71888E-01 ppm1 1.977 ppm2 1.833 CV 1 OR { 635} (( segid A and resid 81 and name HB2 )) (( segid A and resid 81 and name HB1 )) ASSI { 636} ( segid B and resid 72 and name HG2%) (( segid B and resid 72 and name HB )) 2.000 0.500 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15260E-01 ppm1 0.740 ppm2 1.837 CV 1 OR { 636} ( segid A and resid 72 and name HG2%) (( segid A and resid 72 and name HB )) ASSI { 637} ( segid B and resid 72 and name HG1%) (( segid B and resid 72 and name HB )) 2.100 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15003E-01 ppm1 0.804 ppm2 1.837 CV 1 OR { 637} ( segid A and resid 72 and name HG1%) (( segid A and resid 72 and name HB )) ASSI { 638} (( segid A and resid 96 and name HG12)) (( segid A and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.49170E-02 ppm1 1.257 ppm2 1.841 CV 1 OR { 638} (( segid B and resid 96 and name HG12)) (( segid B and resid 16 and name HB2 )) ASSI { 639} ( segid B and resid 37 and name HG2%) (( segid B and resid 37 and name HB )) 2.600 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.41672E-02 ppm1 -0.681 ppm2 1.843 CV 1 OR { 639} ( segid A and resid 37 and name HG2%) (( segid A and resid 37 and name HB )) ASSI { 641} (( segid B and resid 69 and name HA )) (( segid B and resid 72 and name HB )) 2.600 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.43692E-02 ppm1 4.120 ppm2 1.845 CV 1 OR { 641} (( segid A and resid 69 and name HA )) (( segid A and resid 72 and name HB )) ASSI { 646} ( segid B and resid 31 and name HD1%) (( segid B and resid 35 and name HG )) 2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.56398E-02 ppm1 0.786 ppm2 1.894 CV 1 OR { 646} ( segid A and resid 31 and name HD1%) (( segid A and resid 35 and name HG )) ASSI { 648} (( segid B and resid 90 and name HA )) (( segid B and resid 90 and name HB )) 2.800 1.000 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.24175E-02 ppm1 4.056 ppm2 1.898 CV 1 OR { 648} (( segid A and resid 90 and name HA )) (( segid A and resid 90 and name HB )) ASSI { 649} (( segid B and resid 91 and name HA )) (( segid B and resid 90 and name HB )) 2.900 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.31368E-02 ppm1 4.473 ppm2 1.898 CV 1 OR { 649} (( segid A and resid 91 and name HA )) (( segid A and resid 90 and name HB )) ASSI { 650} ( segid A and resid 35 and name HD1%) (( segid A and resid 35 and name HG )) 2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.52007E-02 ppm1 1.010 ppm2 1.905 CV 1 OR { 650} ( segid B and resid 35 and name HD1%) (( segid B and resid 35 and name HG )) ASSI { 652} (( segid B and resid 90 and name HG12)) (( segid B and resid 90 and name HB )) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.53866E-02 ppm1 1.471 ppm2 1.908 CV 1 OR { 652} (( segid A and resid 90 and name HG12)) (( segid A and resid 90 and name HB )) ASSI { 654} ( segid B and resid 92 and name HB% ) (( segid B and resid 90 and name HB )) 3.700 1.700 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.19659E-02 ppm1 1.431 ppm2 1.913 CV 1 OR { 654} ( segid A and resid 92 and name HB% ) (( segid A and resid 90 and name HB )) ASSI { 655} ( segid B and resid 90 and name HG2%) (( segid B and resid 90 and name HB )) 1.900 0.500 0.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.21590E-01 ppm1 0.929 ppm2 1.914 CV 1 OR { 655} ( segid A and resid 90 and name HG2%) (( segid A and resid 90 and name HB )) ASSI { 656} (( segid B and resid 82 and name HB2 )) (( segid B and resid 83 and name HG2 )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.22245E-02 ppm1 2.875 ppm2 1.914 CV 1 OR { 656} (( segid A and resid 82 and name HB2 )) (( segid A and resid 83 and name HG2 )) OR { 656} (( segid B and resid 82 and name HB2 )) (( segid B and resid 83 and name HG1 )) OR { 656} (( segid A and resid 82 and name HB2 )) (( segid A and resid 83 and name HG1 )) ASSI { 659} ( segid B and resid 90 and name HD1%) (( segid B and resid 90 and name HB )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11644E-01 ppm1 0.651 ppm2 1.917 CV 1 OR { 659} ( segid A and resid 90 and name HD1%) (( segid A and resid 90 and name HB )) ASSI { 660} (( segid A and resid 113 and name HA )) (( segid A and resid 116 and name HB1 )) 3.500 1.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 4.049 ppm2 1.922 CV 1 OR { 660} (( segid B and resid 113 and name HA )) (( segid B and resid 116 and name HB1 )) OR { 660} (( segid A and resid 113 and name HA )) (( segid A and resid 116 and name HB2 )) OR { 660} (( segid B and resid 113 and name HA )) (( segid B and resid 116 and name HB2 )) ASSI { 662} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HB2 )) 2.000 0.500 0.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.23136E-01 ppm1 4.145 ppm2 1.929 CV 1 OR { 662} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HB2 )) OR { 662} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HB1 )) OR { 662} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HB1 )) ASSI { 664} (( segid B and resid 83 and name HB2 )) (( segid B and resid 83 and name HG2 )) 2.200 0.600 0.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.10502E-01 ppm1 2.133 ppm2 1.930 CV 1 OR { 664} (( segid A and resid 83 and name HB2 )) (( segid A and resid 83 and name HG2 )) OR { 664} (( segid B and resid 83 and name HB2 )) (( segid B and resid 83 and name HG1 )) OR { 664} (( segid A and resid 83 and name HB2 )) (( segid A and resid 83 and name HG1 )) ASSI { 665} (( segid A and resid 32 and name HA )) (( segid A and resid 32 and name HB1 )) 2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.63028E-02 ppm1 3.988 ppm2 1.931 CV 1 OR { 665} (( segid B and resid 32 and name HA )) (( segid B and resid 32 and name HB1 )) OR { 665} (( segid A and resid 32 and name HA )) (( segid A and resid 32 and name HB2 )) OR { 665} (( segid B and resid 32 and name HA )) (( segid B and resid 32 and name HB2 )) ASSI { 666} (( segid B and resid 82 and name HA )) (( segid B and resid 83 and name HG2 )) 3.000 1.100 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.26429E-02 ppm1 4.478 ppm2 1.932 CV 1 OR { 666} (( segid A and resid 82 and name HA )) (( segid A and resid 83 and name HG2 )) OR { 666} (( segid A and resid 82 and name HA )) (( segid A and resid 83 and name HG1 )) OR { 666} (( segid B and resid 82 and name HA )) (( segid B and resid 83 and name HG1 )) ASSI { 668} (( segid B and resid 83 and name HB1 )) (( segid B and resid 83 and name HG1 )) 2.200 0.600 0.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13754E-01 ppm1 2.065 ppm2 1.933 CV 1 OR { 668} (( segid A and resid 83 and name HB1 )) (( segid A and resid 83 and name HG1 )) OR { 668} (( segid B and resid 83 and name HB1 )) (( segid B and resid 83 and name HG2 )) OR { 668} (( segid A and resid 83 and name HB1 )) (( segid A and resid 83 and name HG2 )) ASSI { 669} (( segid B and resid 48 and name HA )) (( segid B and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.26038E-02 ppm1 4.344 ppm2 1.934 CV 1 OR { 669} (( segid A and resid 48 and name HA )) (( segid A and resid 47 and name HB1 )) ASSI { 671} (( segid A and resid 44 and name HA )) (( segid A and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.44628E-02 ppm1 4.210 ppm2 1.936 CV 1 OR { 671} (( segid B and resid 44 and name HA )) (( segid B and resid 47 and name HB2 )) OR { 671} (( segid B and resid 44 and name HA )) (( segid B and resid 47 and name HB1 )) OR { 671} (( segid A and resid 44 and name HA )) (( segid A and resid 47 and name HB1 )) ASSI { 672} ( segid A and resid 48 and name HB% ) (( segid A and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.46060E-02 ppm1 1.121 ppm2 1.937 CV 1 OR { 672} ( segid B and resid 48 and name HB% ) (( segid B and resid 47 and name HB1 )) ASSI { 675} (( segid A and resid 35 and name HA )) (( segid A and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.33985E-02 ppm1 4.037 ppm2 1.939 CV 1 OR { 675} (( segid B and resid 35 and name HA )) (( segid B and resid 35 and name HB2 )) ASSI { 676} ( segid A and resid 26 and name HB% ) (( segid A and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.61664E-02 ppm1 1.538 ppm2 1.940 CV 1 OR { 676} ( segid B and resid 26 and name HB% ) (( segid B and resid 29 and name HB2 )) ASSI { 677} ( segid B and resid 97 and name HB% ) (( segid B and resid 99 and name HB2 )) 3.000 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 1.486 ppm2 1.943 CV 1 OR { 677} ( segid A and resid 97 and name HB% ) (( segid A and resid 99 and name HB2 )) OR { 677} ( segid B and resid 97 and name HB% ) (( segid B and resid 99 and name HB1 )) OR { 677} ( segid A and resid 97 and name HB% ) (( segid A and resid 99 and name HB1 )) ASSI { 679} (( segid A and resid 89 and name HB2 )) (( segid A and resid 89 and name HB1 )) 1.600 0.300 0.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.20195E-01 ppm1 2.066 ppm2 1.949 CV 1 OR { 679} (( segid B and resid 89 and name HB2 )) (( segid B and resid 89 and name HB1 )) ASSI { 680} ( segid A and resid 96 and name HG2%) (( segid A and resid 96 and name HB )) 2.200 0.600 0.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.87587E-02 ppm1 1.043 ppm2 1.950 CV 1 OR { 680} ( segid B and resid 96 and name HG2%) (( segid B and resid 96 and name HB )) ASSI { 681} ( segid B and resid 96 and name HD1%) (( segid B and resid 96 and name HB )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.70548E-02 ppm1 0.915 ppm2 1.950 CV 1 OR { 681} ( segid A and resid 96 and name HD1%) (( segid A and resid 96 and name HB )) ASSI { 682} (( segid A and resid 89 and name HG1 )) (( segid A and resid 89 and name HB1 )) 2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.15294E-01 ppm1 2.049 ppm2 1.954 CV 1 OR { 682} (( segid B and resid 89 and name HG1 )) (( segid B and resid 89 and name HB1 )) ASSI { 683} ( segid B and resid 46 and name HB% ) (( segid B and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.80533E-02 ppm1 1.630 ppm2 1.959 CV 1 OR { 683} ( segid A and resid 46 and name HB% ) (( segid A and resid 47 and name HB2 )) OR { 683} ( segid B and resid 46 and name HB% ) (( segid B and resid 47 and name HB1 )) OR { 683} ( segid A and resid 46 and name HB% ) (( segid A and resid 47 and name HB1 )) ASSI { 684} (( segid B and resid 125 and name HA )) (( segid B and resid 125 and name HB1 )) 2.700 0.900 0.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.46510E-02 ppm1 4.218 ppm2 1.964 CV 1 OR { 684} (( segid A and resid 125 and name HA )) (( segid A and resid 125 and name HB1 )) ASSI { 694} ( segid B and resid 37 and name HG2%) (( segid B and resid 37 and name HG12)) 3.000 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.20633E-02 ppm1 -0.682 ppm2 1.986 CV 1 OR { 694} ( segid A and resid 37 and name HG2%) (( segid A and resid 37 and name HG12)) ASSI { 695} (( segid B and resid 6 and name HA )) (( segid B and resid 6 and name HB1 )) 2.200 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.16840E-01 ppm1 4.310 ppm2 1.987 CV 1 OR { 695} (( segid A and resid 6 and name HA )) (( segid A and resid 6 and name HB1 )) ASSI { 699} (( segid B and resid 72 and name HA )) (( segid B and resid 75 and name HB )) 3.000 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 3.447 ppm2 1.992 CV 1 OR { 699} (( segid A and resid 72 and name HA )) (( segid A and resid 75 and name HB )) ASSI { 700} (( segid B and resid 6 and name HB2 )) (( segid B and resid 6 and name HB1 )) 1.200 0.200 1.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12501E+00 ppm1 2.125 ppm2 2.002 CV 1 OR { 700} (( segid A and resid 6 and name HB2 )) (( segid A and resid 6 and name HB1 )) ASSI { 701} ( segid A and resid 17 and name HG1%) (( segid A and resid 69 and name HG1 )) 3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.72163E-02 ppm1 0.876 ppm2 2.004 CV 1 OR { 701} ( segid B and resid 17 and name HG1%) (( segid B and resid 69 and name HG1 )) OR { 701} ( segid A and resid 17 and name HG1%) (( segid A and resid 69 and name HG2 )) ASSI { 702} (( segid B and resid 69 and name HA )) (( segid B and resid 69 and name HB1 )) 2.100 0.600 0.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.85056E-02 ppm1 4.124 ppm2 2.011 CV 1 OR { 702} (( segid A and resid 69 and name HA )) (( segid A and resid 69 and name HB1 )) ASSI { 704} (( segid A and resid 66 and name HB2 )) (( segid A and resid 66 and name HB1 )) 2.100 0.500 0.500 peak 704 spectrum 1 weight 0.10000E+01 volume 0.31305E-02 ppm1 2.497 ppm2 2.014 CV 1 OR { 704} (( segid B and resid 66 and name HB2 )) (( segid B and resid 66 and name HB1 )) ASSI { 705} (( segid A and resid 69 and name HB2 )) (( segid A and resid 69 and name HB1 )) 1.600 0.300 0.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.21313E-01 ppm1 2.313 ppm2 2.014 CV 1 OR { 705} (( segid B and resid 69 and name HB2 )) (( segid B and resid 69 and name HB1 )) ASSI { 708} (( segid A and resid 66 and name HG2 )) (( segid A and resid 66 and name HB1 )) 2.700 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.35340E-02 ppm1 2.434 ppm2 2.021 CV 1 OR { 708} (( segid B and resid 66 and name HG1 )) (( segid B and resid 66 and name HB1 )) OR { 708} (( segid B and resid 66 and name HG2 )) (( segid B and resid 66 and name HB1 )) OR { 708} (( segid A and resid 66 and name HG1 )) (( segid A and resid 66 and name HB1 )) ASSI { 712} ( segid B and resid 75 and name HG1%) (( segid B and resid 75 and name HB )) 1.800 0.400 0.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.23967E-01 ppm1 0.962 ppm2 2.029 CV 1 OR { 712} ( segid A and resid 75 and name HG1%) (( segid A and resid 75 and name HB )) ASSI { 714} ( segid B and resid 75 and name HG2%) (( segid B and resid 75 and name HB )) 2.000 0.500 0.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.14632E-01 ppm1 0.891 ppm2 2.038 CV 1 OR { 714} ( segid A and resid 75 and name HG2%) (( segid A and resid 75 and name HB )) ASSI { 716} ( segid B and resid 79 and name HG2%) (( segid B and resid 80 and name HG1 )) 3.800 1.800 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.22291E-02 ppm1 0.096 ppm2 2.042 CV 1 OR { 716} ( segid A and resid 79 and name HG2%) (( segid A and resid 80 and name HG1 )) OR { 716} ( segid B and resid 79 and name HG2%) (( segid B and resid 80 and name HB2 )) OR { 716} ( segid A and resid 79 and name HG2%) (( segid A and resid 80 and name HB2 )) OR { 716} ( segid B and resid 79 and name HG2%) (( segid B and resid 80 and name HB1 )) ASSI { 717} (( segid A and resid 77 and name HA )) (( segid A and resid 80 and name HB2 )) 2.800 1.000 1.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.32553E-02 ppm1 4.110 ppm2 2.045 CV 1 OR { 717} (( segid B and resid 77 and name HA )) (( segid B and resid 80 and name HB2 )) OR { 717} (( segid B and resid 77 and name HA )) (( segid B and resid 80 and name HG1 )) OR { 717} (( segid A and resid 77 and name HA )) (( segid A and resid 80 and name HB1 )) OR { 717} (( segid B and resid 77 and name HA )) (( segid B and resid 80 and name HB1 )) ASSI { 724} ( segid A and resid 90 and name HG2%) (( segid A and resid 93 and name HB1 )) 3.000 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.73372E-02 ppm1 0.932 ppm2 2.051 CV 1 OR { 724} ( segid B and resid 90 and name HG2%) (( segid B and resid 93 and name HB1 )) ASSI { 727} ( segid B and resid 90 and name HD1%) (( segid B and resid 80 and name HG1 )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.36694E-02 ppm1 0.652 ppm2 2.054 CV 1 OR { 727} ( segid A and resid 90 and name HD1%) (( segid A and resid 80 and name HG1 )) ASSI { 730} (( segid B and resid 22 and name HB1 )) (( segid B and resid 89 and name HB2 )) 3.500 1.500 1.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 1.625 ppm2 2.056 CV 1 OR { 730} (( segid A and resid 22 and name HB1 )) (( segid A and resid 89 and name HB2 )) OR { 730} (( segid A and resid 22 and name HB1 )) (( segid A and resid 89 and name HG1 )) ASSI { 733} (( segid A and resid 27 and name HA )) (( segid A and resid 27 and name HB1 )) 2.100 0.500 0.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13030E-01 ppm1 4.474 ppm2 2.058 CV 1 OR { 733} (( segid B and resid 27 and name HA )) (( segid B and resid 27 and name HB1 )) ASSI { 734} (( segid A and resid 27 and name HB2 )) (( segid A and resid 27 and name HB1 )) 1.500 0.300 0.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.33328E-01 ppm1 2.437 ppm2 2.060 CV 1 OR { 734} (( segid B and resid 27 and name HB2 )) (( segid B and resid 27 and name HB1 )) ASSI { 735} (( segid A and resid 93 and name HG1 )) (( segid A and resid 93 and name HB1 )) 2.300 0.600 0.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.25185E-01 ppm1 2.170 ppm2 2.061 CV 1 OR { 735} (( segid B and resid 93 and name HG1 )) (( segid B and resid 93 and name HB1 )) ASSI { 739} (( segid B and resid 58 and name HA )) (( segid B and resid 58 and name HB1 )) 3.100 1.200 1.200 peak 739 spectrum 1 weight 0.10000E+01 volume 0.16897E-02 ppm1 3.843 ppm2 2.063 CV 1 OR { 739} (( segid A and resid 58 and name HA )) (( segid A and resid 58 and name HB1 )) ASSI { 742} ( segid A and resid 92 and name HB% ) (( segid A and resid 93 and name HB1 )) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 1.421 ppm2 2.069 CV 1 OR { 742} ( segid B and resid 92 and name HB% ) (( segid B and resid 93 and name HB1 )) ASSI { 743} (( segid B and resid 93 and name HG2 )) (( segid B and resid 93 and name HB1 )) 1.800 0.400 0.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.23694E-01 ppm1 2.240 ppm2 2.069 CV 1 OR { 743} (( segid A and resid 93 and name HG2 )) (( segid A and resid 93 and name HB1 )) ASSI { 744} ( segid B and resid 34 and name HD1%) ( segid B and resid 106 and name HE% ) 2.800 2.800 3.200 peak 744 spectrum 1 weight 0.10000E+01 volume 0.47471E-02 ppm1 0.738 ppm2 2.071 CV 1 OR { 744} ( segid A and resid 34 and name HD1%) ( segid A and resid 106 and name HE% ) ASSI { 745} ( segid A and resid 29 and name HD1%) (( segid A and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.73276E-02 ppm1 0.913 ppm2 2.073 CV 1 OR { 745} ( segid B and resid 29 and name HD1%) (( segid B and resid 84 and name HB1 )) OR { 745} ( segid A and resid 29 and name HD1%) (( segid A and resid 84 and name HB2 )) OR { 745} ( segid B and resid 29 and name HD1%) (( segid B and resid 84 and name HB2 )) ASSI { 748} (( segid B and resid 58 and name HB2 )) (( segid B and resid 58 and name HB1 )) 1.900 0.500 0.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.81753E-02 ppm1 2.250 ppm2 2.076 CV 1 OR { 748} (( segid A and resid 58 and name HB2 )) (( segid A and resid 58 and name HB1 )) ASSI { 749} (( segid A and resid 58 and name HG1 )) (( segid A and resid 58 and name HB1 )) 2.500 0.800 0.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.78619E-02 ppm1 2.390 ppm2 2.080 CV 1 OR { 749} (( segid B and resid 58 and name HG2 )) (( segid B and resid 58 and name HB1 )) OR { 749} (( segid B and resid 58 and name HG1 )) (( segid B and resid 58 and name HB1 )) OR { 749} (( segid A and resid 58 and name HG2 )) (( segid A and resid 58 and name HB1 )) ASSI { 750} (( segid A and resid 79 and name HB )) (( segid A and resid 76 and name HB2 )) 4.200 2.200 1.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.15951E-02 ppm1 1.491 ppm2 2.080 CV 1 OR { 750} (( segid B and resid 79 and name HB )) (( segid B and resid 76 and name HB2 )) ASSI { 751} (( segid B and resid 84 and name HD2 )) (( segid B and resid 84 and name HB1 )) 2.100 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.19110E-01 ppm1 3.233 ppm2 2.084 CV 1 OR { 751} (( segid A and resid 84 and name HD2 )) (( segid A and resid 84 and name HB1 )) OR { 751} (( segid B and resid 84 and name HD1 )) (( segid B and resid 84 and name HB1 )) OR { 751} (( segid A and resid 84 and name HD1 )) (( segid A and resid 84 and name HB1 )) OR { 751} (( segid A and resid 84 and name HD2 )) (( segid A and resid 84 and name HB2 )) OR { 751} (( segid B and resid 84 and name HD2 )) (( segid B and resid 84 and name HB2 )) OR { 751} (( segid A and resid 84 and name HD1 )) (( segid A and resid 84 and name HB2 )) ASSI { 754} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.75795E-02 ppm1 1.358 ppm2 2.098 CV 1 OR { 754} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HB2 )) ASSI { 755} ( segid A and resid 26 and name HB% ) (( segid A and resid 27 and name HG1 )) 3.800 1.800 1.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.50799E-02 ppm1 1.538 ppm2 2.103 CV 1 OR { 755} ( segid B and resid 26 and name HB% ) (( segid B and resid 27 and name HG1 )) ASSI { 757} (( segid A and resid 26 and name HA )) (( segid A and resid 27 and name HG1 )) 4.300 2.300 1.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.19752E-02 ppm1 4.605 ppm2 2.105 CV 1 OR { 757} (( segid B and resid 26 and name HA )) (( segid B and resid 27 and name HG1 )) ASSI { 758} (( segid A and resid 60 and name HA )) (( segid A and resid 60 and name HB )) 3.100 1.200 1.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 4.842 ppm2 2.106 CV 1 OR { 758} (( segid B and resid 60 and name HA )) (( segid B and resid 60 and name HB )) ASSI { 759} (( segid B and resid 73 and name HA )) (( segid B and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.38565E-02 ppm1 4.010 ppm2 2.106 CV 1 OR { 759} (( segid A and resid 73 and name HA )) (( segid A and resid 76 and name HB2 )) ASSI { 760} (( segid A and resid 27 and name HD2 )) (( segid A and resid 27 and name HG1 )) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.46348E-02 ppm1 3.966 ppm2 2.107 CV 1 OR { 760} (( segid B and resid 27 and name HD2 )) (( segid B and resid 27 and name HG1 )) ASSI { 763} (( segid B and resid 11 and name HB2 )) (( segid B and resid 11 and name HB1 )) 1.200 0.200 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.11910E+00 ppm1 2.193 ppm2 2.117 CV 1 OR { 763} (( segid A and resid 11 and name HB2 )) (( segid A and resid 11 and name HB1 )) ASSI { 765} (( segid A and resid 11 and name HG1 )) (( segid A and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10941E-01 ppm1 2.586 ppm2 2.119 CV 1 OR { 765} (( segid B and resid 11 and name HG1 )) (( segid B and resid 11 and name HB1 )) ASSI { 767} (( segid B and resid 11 and name HG2 )) (( segid B and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11282E-01 ppm1 2.675 ppm2 2.123 CV 1 OR { 767} (( segid A and resid 11 and name HG2 )) (( segid A and resid 11 and name HB1 )) ASSI { 768} (( segid B and resid 11 and name HA )) (( segid B and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10172E-01 ppm1 4.613 ppm2 2.124 CV 1 OR { 768} (( segid A and resid 11 and name HA )) (( segid A and resid 11 and name HB1 )) ASSI { 769} (( segid A and resid 11 and name HG1 )) (( segid A and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.41154E-02 ppm1 2.579 ppm2 2.124 CV 1 OR { 769} (( segid B and resid 11 and name HG1 )) (( segid B and resid 11 and name HB1 )) OR { 769} (( segid A and resid 11 and name HG1 )) ( segid A and resid 11 and name HE% ) ASSI { 770} (( segid A and resid 6 and name HA )) (( segid A and resid 6 and name HB2 )) 2.000 0.500 0.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.24664E-01 ppm1 4.314 ppm2 2.125 CV 1 OR { 770} (( segid B and resid 6 and name HA )) (( segid B and resid 6 and name HB2 )) ASSI { 771} (( segid A and resid 83 and name HA )) (( segid A and resid 83 and name HB2 )) 2.700 0.900 0.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.52423E-02 ppm1 4.623 ppm2 2.129 CV 1 OR { 771} (( segid B and resid 83 and name HA )) (( segid B and resid 83 and name HB2 )) ASSI { 774} (( segid B and resid 29 and name HG )) (( segid B and resid 27 and name HG2 )) 2.100 2.100 3.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.58749E-02 ppm1 1.256 ppm2 2.137 CV 1 OR { 774} (( segid A and resid 29 and name HG )) (( segid A and resid 27 and name HG2 )) OR { 774} (( segid B and resid 29 and name HG )) (( segid B and resid 27 and name HG1 )) OR { 774} (( segid A and resid 29 and name HG )) (( segid A and resid 27 and name HG1 )) ASSI { 778} (( segid A and resid 39 and name HB2 )) (( segid A and resid 39 and name HB1 )) 1.700 0.300 0.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.16821E-01 ppm1 2.251 ppm2 2.147 CV 1 OR { 778} (( segid B and resid 39 and name HB2 )) (( segid B and resid 39 and name HB1 )) ASSI { 779} (( segid A and resid 71 and name HA )) (( segid A and resid 74 and name HB1 )) 2.400 2.400 3.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.66605E-02 ppm1 4.428 ppm2 2.148 CV 1 OR { 779} (( segid B and resid 71 and name HA )) (( segid B and resid 74 and name HB1 )) ASSI { 784} (( segid B and resid 27 and name HB1 )) (( segid B and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.15234E-01 ppm1 2.057 ppm2 2.164 CV 1 OR { 784} (( segid A and resid 27 and name HB1 )) (( segid A and resid 27 and name HG2 )) ASSI { 785} ( segid B and resid 26 and name HB% ) (( segid B and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 785 spectrum 1 weight 0.10000E+01 volume 0.68621E-02 ppm1 1.544 ppm2 2.166 CV 1 OR { 785} ( segid A and resid 26 and name HB% ) (( segid A and resid 27 and name HG2 )) ASSI { 786} (( segid A and resid 27 and name HG1 )) (( segid A and resid 27 and name HG2 )) 1.400 0.200 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.42334E-01 ppm1 2.109 ppm2 2.166 CV 1 OR { 786} (( segid B and resid 27 and name HG1 )) (( segid B and resid 27 and name HG2 )) ASSI { 787} (( segid B and resid 27 and name HA )) (( segid B and resid 27 and name HG2 )) 3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.48685E-02 ppm1 4.474 ppm2 2.167 CV 1 OR { 787} (( segid A and resid 27 and name HA )) (( segid A and resid 27 and name HG2 )) ASSI { 788} (( segid B and resid 27 and name HB2 )) (( segid B and resid 27 and name HG2 )) 2.100 0.500 0.500 peak 788 spectrum 1 weight 0.10000E+01 volume 0.11137E-01 ppm1 2.438 ppm2 2.169 CV 1 OR { 788} (( segid A and resid 27 and name HB2 )) (( segid A and resid 27 and name HG2 )) ASSI { 793} (( segid B and resid 93 and name HG2 )) (( segid B and resid 93 and name HG1 )) 1.400 0.200 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.59929E-01 ppm1 2.240 ppm2 2.173 CV 1 OR { 793} (( segid A and resid 93 and name HG2 )) (( segid A and resid 93 and name HG1 )) ASSI { 794} (( segid A and resid 125 and name HA )) (( segid A and resid 125 and name HB2 )) 2.500 0.800 0.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.61550E-02 ppm1 4.219 ppm2 2.174 CV 1 OR { 794} (( segid B and resid 125 and name HA )) (( segid B and resid 125 and name HB2 )) ASSI { 795} (( segid B and resid 49 and name HG1 )) (( segid B and resid 49 and name HB1 )) 1.600 0.300 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.97069E-01 ppm1 2.354 ppm2 2.178 CV 1 OR { 795} (( segid A and resid 49 and name HG1 )) (( segid A and resid 49 and name HB1 )) OR { 795} (( segid B and resid 49 and name HG2 )) (( segid B and resid 49 and name HB1 )) OR { 795} (( segid A and resid 49 and name HG2 )) (( segid A and resid 49 and name HB1 )) ASSI { 796} ( segid A and resid 17 and name HG2%) (( segid A and resid 17 and name HB )) 1.700 0.400 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.31443E-01 ppm1 0.952 ppm2 2.180 CV 1 OR { 796} ( segid B and resid 17 and name HG2%) (( segid B and resid 17 and name HB )) ASSI { 797} (( segid A and resid 69 and name HA )) (( segid A and resid 17 and name HB )) 2.900 1.100 1.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 4.121 ppm2 2.185 CV 1 OR { 797} (( segid B and resid 69 and name HA )) (( segid B and resid 17 and name HB )) ASSI { 798} (( segid B and resid 17 and name HA )) (( segid B and resid 17 and name HB )) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.48628E-02 ppm1 5.243 ppm2 2.187 CV 1 OR { 798} (( segid A and resid 17 and name HA )) (( segid A and resid 17 and name HB )) ASSI { 799} (( segid B and resid 11 and name HG1 )) (( segid B and resid 11 and name HB2 )) 2.300 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.95502E-02 ppm1 2.586 ppm2 2.188 CV 1 OR { 799} (( segid A and resid 11 and name HG1 )) (( segid A and resid 11 and name HB2 )) ASSI { 800} (( segid B and resid 42 and name HA )) (( segid B and resid 42 and name HB1 )) 3.100 1.200 1.200 peak 800 spectrum 1 weight 0.10000E+01 volume 0.27825E-02 ppm1 3.793 ppm2 2.188 CV 1 OR { 800} (( segid A and resid 42 and name HA )) (( segid A and resid 42 and name HB1 )) ASSI { 803} (( segid A and resid 11 and name HG2 )) (( segid A and resid 11 and name HB2 )) 2.400 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10100E-01 ppm1 2.675 ppm2 2.191 CV 1 OR { 803} (( segid B and resid 11 and name HG2 )) (( segid B and resid 11 and name HB2 )) ASSI { 805} (( segid B and resid 95 and name HA )) (( segid B and resid 17 and name HB )) 3.900 1.900 1.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.18957E-02 ppm1 4.947 ppm2 2.191 CV 1 OR { 805} (( segid A and resid 95 and name HA )) (( segid A and resid 17 and name HB )) ASSI { 806} (( segid A and resid 42 and name HB2 )) (( segid A and resid 42 and name HB1 )) 1.900 0.400 0.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.72827E-02 ppm1 2.370 ppm2 2.195 CV 1 OR { 806} (( segid B and resid 42 and name HB2 )) (( segid B and resid 42 and name HB1 )) ASSI { 807} ( segid B and resid 72 and name HG2%) (( segid B and resid 17 and name HB )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22445E-02 ppm1 0.736 ppm2 2.197 CV 1 OR { 807} ( segid A and resid 72 and name HG2%) (( segid A and resid 17 and name HB )) ASSI { 808} (( segid B and resid 49 and name HA )) (( segid B and resid 49 and name HB1 )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.46935E-02 ppm1 3.995 ppm2 2.199 CV 1 OR { 808} (( segid A and resid 49 and name HA )) (( segid A and resid 49 and name HB1 )) ASSI { 815} (( segid B and resid 94 and name HB1 )) (( segid B and resid 94 and name HB2 )) 1.600 0.300 0.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.22943E-01 ppm1 2.024 ppm2 2.218 CV 1 OR { 815} (( segid A and resid 94 and name HB1 )) (( segid A and resid 94 and name HB2 )) ASSI { 817} ( segid A and resid 96 and name HG2%) (( segid A and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.39496E-02 ppm1 1.038 ppm2 2.224 CV 1 OR { 817} ( segid B and resid 96 and name HG2%) (( segid B and resid 94 and name HB2 )) ASSI { 818} (( segid A and resid 58 and name HA )) (( segid A and resid 58 and name HB2 )) 2.900 1.000 1.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.29056E-02 ppm1 3.846 ppm2 2.236 CV 1 OR { 818} (( segid B and resid 58 and name HA )) (( segid B and resid 58 and name HB2 )) ASSI { 819} ( segid B and resid 90 and name HG2%) (( segid B and resid 93 and name HG2 )) 2.500 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.87299E-02 ppm1 0.930 ppm2 2.239 CV 1 OR { 819} ( segid A and resid 90 and name HG2%) (( segid A and resid 93 and name HG2 )) OR { 819} ( segid B and resid 90 and name HG2%) (( segid B and resid 93 and name HB2 )) ASSI { 822} ( segid A and resid 9 and name HG2%) (( segid A and resid 9 and name HB )) 1.900 0.400 0.400 peak 822 spectrum 1 weight 0.10000E+01 volume 0.32768E-01 ppm1 1.010 ppm2 2.243 CV 1 OR { 822} (( segid B and resid 9 and name HG21)) (( segid B and resid 9 and name HB )) OR { 822} (( segid B and resid 9 and name HG22)) (( segid B and resid 9 and name HB )) ASSI { 823} (( segid B and resid 58 and name HG1 )) (( segid B and resid 58 and name HB2 )) 2.500 0.800 0.800 peak 823 spectrum 1 weight 0.10000E+01 volume 0.73306E-02 ppm1 2.390 ppm2 2.243 CV 1 OR { 823} (( segid A and resid 58 and name HG2 )) (( segid A and resid 58 and name HB2 )) OR { 823} (( segid B and resid 58 and name HG2 )) (( segid B and resid 58 and name HB2 )) OR { 823} (( segid A and resid 58 and name HG1 )) (( segid A and resid 58 and name HB2 )) ASSI { 824} (( segid B and resid 9 and name HA )) (( segid B and resid 9 and name HB )) 2.000 0.500 0.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.21825E-01 ppm1 4.253 ppm2 2.245 CV 1 OR { 824} (( segid A and resid 9 and name HA )) (( segid A and resid 9 and name HB )) ASSI { 825} (( segid B and resid 74 and name HA )) (( segid B and resid 74 and name HB2 )) 2.100 0.500 0.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.13794E-01 ppm1 4.007 ppm2 2.245 CV 1 OR { 825} (( segid A and resid 74 and name HA )) (( segid A and resid 74 and name HB2 )) ASSI { 827} (( segid A and resid 71 and name HA )) (( segid A and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.49076E-02 ppm1 4.426 ppm2 2.246 CV 1 OR { 827} (( segid B and resid 71 and name HA )) (( segid B and resid 74 and name HB2 )) ASSI { 830} (( segid A and resid 94 and name HB2 )) (( segid A and resid 94 and name HG1 )) 2.100 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.18601E-01 ppm1 2.213 ppm2 2.279 CV 1 OR { 830} (( segid B and resid 94 and name HB2 )) (( segid B and resid 94 and name HG1 )) OR { 830} (( segid B and resid 94 and name HB2 )) (( segid B and resid 94 and name HG2 )) OR { 830} (( segid A and resid 94 and name HB2 )) (( segid A and resid 94 and name HG2 )) ASSI { 831} (( segid A and resid 94 and name HB1 )) (( segid A and resid 94 and name HG2 )) 2.400 0.700 0.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.94353E-02 ppm1 2.026 ppm2 2.282 CV 1 OR { 831} (( segid B and resid 94 and name HB1 )) (( segid B and resid 94 and name HG2 )) OR { 831} (( segid A and resid 94 and name HB1 )) (( segid A and resid 94 and name HG1 )) OR { 831} (( segid B and resid 94 and name HB1 )) (( segid B and resid 94 and name HG1 )) ASSI { 832} (( segid B and resid 6 and name HB1 )) (( segid B and resid 6 and name HG2 )) 1.800 0.900 0.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.36053E-01 ppm1 1.982 ppm2 2.288 CV 1 OR { 832} (( segid A and resid 6 and name HB1 )) (( segid A and resid 6 and name HG2 )) ASSI { 833} ( segid A and resid 92 and name HB% ) (( segid A and resid 94 and name HG2 )) 2.800 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.46755E-02 ppm1 1.427 ppm2 2.289 CV 1 OR { 833} ( segid B and resid 92 and name HB% ) (( segid B and resid 94 and name HG2 )) OR { 833} ( segid A and resid 92 and name HB% ) (( segid A and resid 94 and name HG1 )) OR { 833} ( segid B and resid 92 and name HB% ) (( segid B and resid 94 and name HG1 )) ASSI { 835} ( segid B and resid 96 and name HG2%) (( segid B and resid 94 and name HG1 )) 2.600 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.58675E-02 ppm1 1.033 ppm2 2.290 CV 1 OR { 835} ( segid A and resid 96 and name HG2%) (( segid A and resid 94 and name HG1 )) OR { 835} ( segid B and resid 96 and name HG2%) (( segid B and resid 94 and name HG2 )) OR { 835} ( segid A and resid 96 and name HG2%) (( segid A and resid 94 and name HG2 )) ASSI { 836} (( segid A and resid 6 and name HA )) (( segid A and resid 6 and name HG2 )) 3.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.21503E-01 ppm1 4.310 ppm2 2.293 CV 1 OR { 836} (( segid B and resid 6 and name HA )) (( segid B and resid 6 and name HG2 )) ASSI { 837} (( segid B and resid 6 and name HB2 )) (( segid B and resid 6 and name HG2 )) 1.600 0.300 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.10357E+00 ppm1 2.123 ppm2 2.293 CV 1 OR { 837} (( segid A and resid 6 and name HB2 )) (( segid A and resid 6 and name HG2 )) ASSI { 840} (( segid B and resid 87 and name HB2 )) (( segid B and resid 89 and name HG2 )) 3.800 1.800 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.13866E-02 ppm1 3.062 ppm2 2.299 CV 1 OR { 840} (( segid A and resid 87 and name HB2 )) (( segid A and resid 89 and name HG2 )) ASSI { 844} (( segid A and resid 89 and name HB1 )) (( segid A and resid 89 and name HG2 )) 2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.55169E-02 ppm1 1.942 ppm2 2.306 CV 1 OR { 844} (( segid B and resid 89 and name HB1 )) (( segid B and resid 89 and name HG2 )) ASSI { 846} (( segid B and resid 89 and name HG1 )) (( segid B and resid 89 and name HG2 )) 1.500 0.300 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.36982E-01 ppm1 2.049 ppm2 2.310 CV 1 OR { 846} (( segid A and resid 89 and name HG1 )) (( segid A and resid 89 and name HG2 )) ASSI { 847} (( segid A and resid 111 and name HB2 )) (( segid A and resid 112 and name HG1 )) 3.600 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.17517E-02 ppm1 4.020 ppm2 2.310 CV 1 OR { 847} (( segid B and resid 111 and name HB2 )) (( segid B and resid 112 and name HG1 )) ASSI { 848} ( segid A and resid 17 and name HG1%) (( segid A and resid 69 and name HB2 )) 3.400 1.400 1.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.81383E-02 ppm1 0.874 ppm2 2.311 CV 1 OR { 848} ( segid B and resid 17 and name HG1%) (( segid B and resid 69 and name HB2 )) ASSI { 850} (( segid A and resid 76 and name HG2 )) (( segid A and resid 80 and name HG2 )) 3.400 1.500 1.500 peak 850 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 2.576 ppm2 2.311 CV 1 OR { 850} (( segid B and resid 76 and name HG2 )) (( segid B and resid 80 and name HG2 )) ASSI { 851} (( segid A and resid 69 and name HG2 )) (( segid A and resid 69 and name HB2 )) 2.100 0.600 0.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.11403E-01 ppm1 1.979 ppm2 2.313 CV 1 OR { 851} (( segid B and resid 69 and name HG2 )) (( segid B and resid 69 and name HB2 )) OR { 851} (( segid B and resid 69 and name HG1 )) (( segid B and resid 69 and name HB2 )) OR { 851} (( segid A and resid 69 and name HG1 )) (( segid A and resid 69 and name HB2 )) ASSI { 852} (( segid B and resid 69 and name HA )) (( segid B and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 4.121 ppm2 2.314 CV 1 OR { 852} (( segid A and resid 69 and name HA )) (( segid A and resid 69 and name HB2 )) ASSI { 854} (( segid A and resid 69 and name HD2 )) (( segid A and resid 69 and name HB2 )) 3.500 1.500 1.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 3.397 ppm2 2.315 CV 1 OR { 854} (( segid B and resid 69 and name HD2 )) (( segid B and resid 69 and name HB2 )) ASSI { 856} (( segid A and resid 87 and name HB1 )) (( segid A and resid 89 and name HG2 )) 3.400 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.15500E-02 ppm1 2.761 ppm2 2.318 CV 1 OR { 856} (( segid B and resid 87 and name HB1 )) (( segid B and resid 89 and name HG2 )) ASSI { 859} (( segid A and resid 74 and name HA )) (( segid A and resid 74 and name HG2 )) 2.400 0.700 0.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10474E-01 ppm1 4.005 ppm2 2.325 CV 1 OR { 859} (( segid B and resid 74 and name HA )) (( segid B and resid 74 and name HG2 )) ASSI { 860} (( segid B and resid 80 and name HG1 )) (( segid B and resid 80 and name HG2 )) 1.500 0.300 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.27471E-01 ppm1 2.045 ppm2 2.326 CV 1 OR { 860} (( segid A and resid 80 and name HG1 )) (( segid A and resid 80 and name HG2 )) ASSI { 862} (( segid B and resid 80 and name HA )) (( segid B and resid 80 and name HG2 )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.43200E-02 ppm1 3.716 ppm2 2.327 CV 1 OR { 862} (( segid A and resid 80 and name HA )) (( segid A and resid 80 and name HG2 )) ASSI { 863} (( segid B and resid 80 and name HB1 )) (( segid B and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.61598E-02 ppm1 2.008 ppm2 2.328 CV 1 OR { 863} (( segid A and resid 80 and name HB1 )) (( segid A and resid 80 and name HG2 )) ASSI { 865} (( segid B and resid 77 and name HA )) (( segid B and resid 80 and name HG2 )) 3.500 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.18267E-02 ppm1 4.110 ppm2 2.331 CV 1 OR { 865} (( segid A and resid 77 and name HA )) (( segid A and resid 80 and name HG2 )) ASSI { 866} (( segid B and resid 80 and name HB2 )) (( segid B and resid 80 and name HG2 )) 2.300 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.81257E-02 ppm1 2.074 ppm2 2.333 CV 1 OR { 866} (( segid A and resid 80 and name HB2 )) (( segid A and resid 80 and name HG2 )) ASSI { 868} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HG1 )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.90016E-02 ppm1 1.359 ppm2 2.337 CV 1 OR { 868} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HG1 )) ASSI { 869} (( segid B and resid 20 and name HA )) (( segid B and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.22622E-02 ppm1 5.882 ppm2 2.338 CV 1 OR { 869} (( segid A and resid 20 and name HA )) (( segid A and resid 20 and name HB2 )) OR { 869} (( segid A and resid 20 and name HA )) (( segid A and resid 20 and name HB1 )) OR { 869} (( segid B and resid 20 and name HA )) (( segid B and resid 20 and name HB1 )) ASSI { 874} ( segid A and resid 90 and name HD1%) (( segid A and resid 80 and name HG2 )) 3.200 1.200 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 0.652 ppm2 2.357 CV 1 OR { 874} ( segid B and resid 90 and name HD1%) (( segid B and resid 80 and name HG2 )) ASSI { 876} (( segid B and resid 38 and name HA )) (( segid B and resid 38 and name HB )) 3.500 1.500 1.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.93707E-03 ppm1 3.547 ppm2 2.360 CV 1 OR { 876} (( segid A and resid 38 and name HA )) (( segid A and resid 38 and name HB )) ASSI { 878} (( segid A and resid 76 and name HA )) (( segid A and resid 76 and name HG1 )) 3.200 1.300 1.300 peak 878 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 4.354 ppm2 2.361 CV 1 OR { 878} (( segid B and resid 76 and name HA )) (( segid B and resid 76 and name HG1 )) ASSI { 880} (( segid B and resid 73 and name HA )) (( segid B and resid 76 and name HG1 )) 3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.20528E-02 ppm1 4.012 ppm2 2.363 CV 1 OR { 880} (( segid A and resid 73 and name HA )) (( segid A and resid 76 and name HG1 )) ASSI { 881} (( segid B and resid 76 and name HG2 )) (( segid B and resid 76 and name HG1 )) 2.100 0.600 0.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.36528E-02 ppm1 2.595 ppm2 2.364 CV 1 OR { 881} (( segid A and resid 76 and name HG2 )) (( segid A and resid 76 and name HG1 )) ASSI { 882} (( segid B and resid 76 and name HB1 )) (( segid B and resid 76 and name HG1 )) 2.800 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.26947E-02 ppm1 1.781 ppm2 2.365 CV 1 OR { 882} (( segid A and resid 76 and name HB1 )) (( segid A and resid 76 and name HG1 )) ASSI { 883} ( segid A and resid 72 and name HG1%) (( segid A and resid 76 and name HG1 )) 2.800 1.000 1.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.47741E-02 ppm1 0.801 ppm2 2.369 CV 1 OR { 883} ( segid B and resid 72 and name HG1%) (( segid B and resid 76 and name HG1 )) ASSI { 884} (( segid A and resid 42 and name HA )) (( segid A and resid 42 and name HB2 )) 2.700 0.900 0.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.28786E-02 ppm1 3.788 ppm2 2.370 CV 1 OR { 884} (( segid B and resid 42 and name HA )) (( segid B and resid 42 and name HB2 )) ASSI { 890} (( segid B and resid 58 and name HA )) (( segid B and resid 58 and name HG2 )) 3.100 1.200 1.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 3.841 ppm2 2.395 CV 1 OR { 890} (( segid A and resid 58 and name HA )) (( segid A and resid 58 and name HG2 )) OR { 890} (( segid B and resid 58 and name HA )) (( segid B and resid 58 and name HG1 )) OR { 890} (( segid A and resid 58 and name HA )) (( segid A and resid 58 and name HG1 )) ASSI { 894} (( segid A and resid 49 and name HG2 )) (( segid A and resid 49 and name HB2 )) 1.800 0.400 0.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.46663E-01 ppm1 2.356 ppm2 2.434 CV 1 OR { 894} (( segid B and resid 49 and name HG2 )) (( segid B and resid 49 and name HB2 )) OR { 894} (( segid A and resid 49 and name HG1 )) (( segid A and resid 49 and name HB2 )) OR { 894} (( segid B and resid 49 and name HG1 )) (( segid B and resid 49 and name HB2 )) ASSI { 895} (( segid A and resid 27 and name HA )) (( segid A and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.19647E-01 ppm1 4.474 ppm2 2.434 CV 1 OR { 895} (( segid B and resid 27 and name HA )) (( segid B and resid 27 and name HB2 )) ASSI { 896} (( segid B and resid 27 and name HG1 )) (( segid B and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.90135E-02 ppm1 2.108 ppm2 2.434 CV 1 OR { 896} (( segid A and resid 27 and name HG1 )) (( segid A and resid 27 and name HB2 )) ASSI { 902} (( segid B and resid 112 and name HG1 )) (( segid B and resid 112 and name HG2 )) 1.600 0.300 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.26177E-01 ppm1 2.308 ppm2 2.445 CV 1 OR { 902} (( segid A and resid 112 and name HG1 )) (( segid A and resid 112 and name HG2 )) ASSI { 903} (( segid A and resid 49 and name HA )) (( segid A and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.41440E-02 ppm1 3.999 ppm2 2.447 CV 1 OR { 903} (( segid B and resid 49 and name HA )) (( segid B and resid 49 and name HB2 )) ASSI { 904} (( segid A and resid 30 and name HB )) (( segid A and resid 33 and name HB1 )) 3.500 1.500 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 4.778 ppm2 2.450 CV 1 OR { 904} (( segid B and resid 30 and name HB )) (( segid B and resid 33 and name HB1 )) ASSI { 905} (( segid B and resid 49 and name HB1 )) (( segid B and resid 49 and name HB2 )) 1.900 0.400 0.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.87694E-02 ppm1 2.201 ppm2 2.450 CV 1 OR { 905} (( segid A and resid 49 and name HB1 )) (( segid A and resid 49 and name HB2 )) ASSI { 908} (( segid B and resid 20 and name HA )) (( segid B and resid 21 and name HB1 )) 3.600 1.700 1.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 5.888 ppm2 2.457 CV 1 OR { 908} (( segid A and resid 20 and name HA )) (( segid A and resid 21 and name HB1 )) ASSI { 909} (( segid B and resid 21 and name HB2 )) (( segid B and resid 21 and name HB1 )) 2.000 0.500 0.500 peak 909 spectrum 1 weight 0.10000E+01 volume 0.42217E-02 ppm1 3.029 ppm2 2.459 CV 1 OR { 909} (( segid A and resid 21 and name HB2 )) (( segid A and resid 21 and name HB1 )) ASSI { 910} (( segid B and resid 33 and name HA )) (( segid B and resid 33 and name HB1 )) 3.200 1.300 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.24481E-02 ppm1 4.544 ppm2 2.459 CV 1 OR { 910} (( segid A and resid 33 and name HA )) (( segid A and resid 33 and name HB1 )) ASSI { 911} (( segid B and resid 96 and name HG12)) (( segid B and resid 66 and name HB2 )) 3.300 1.300 1.300 peak 911 spectrum 1 weight 0.10000E+01 volume 0.30185E-02 ppm1 1.253 ppm2 2.461 CV 1 OR { 911} (( segid A and resid 96 and name HG12)) (( segid A and resid 66 and name HB2 )) OR { 911} (( segid B and resid 96 and name HG12)) (( segid B and resid 66 and name HG2 )) OR { 911} (( segid A and resid 96 and name HG12)) (( segid A and resid 66 and name HG1 )) OR { 911} (( segid A and resid 96 and name HG12)) (( segid A and resid 66 and name HG2 )) ASSI { 912} (( segid B and resid 33 and name HB2 )) (( segid B and resid 33 and name HB1 )) 2.300 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.35840E-02 ppm1 3.205 ppm2 2.465 CV 1 OR { 912} (( segid A and resid 33 and name HB2 )) (( segid A and resid 33 and name HB1 )) ASSI { 913} ( segid B and resid 90 and name HG2%) (( segid B and resid 21 and name HB1 )) 2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.20303E-02 ppm1 0.928 ppm2 2.477 CV 1 OR { 913} ( segid A and resid 90 and name HG2%) (( segid A and resid 21 and name HB1 )) ASSI { 914} ( segid B and resid 90 and name HD1%) (( segid B and resid 21 and name HB1 )) 2.900 1.000 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.28639E-02 ppm1 0.652 ppm2 2.477 CV 1 OR { 914} ( segid A and resid 90 and name HD1%) (( segid A and resid 21 and name HB1 )) ASSI { 917} (( segid B and resid 90 and name HA )) (( segid B and resid 21 and name HB1 )) 2.600 0.900 0.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.14961E-02 ppm1 4.050 ppm2 2.490 CV 1 OR { 917} (( segid A and resid 90 and name HA )) (( segid A and resid 21 and name HB1 )) ASSI { 920} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HG2 )) 2.400 0.700 0.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.70967E-02 ppm1 1.357 ppm2 2.580 CV 1 OR { 920} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HG2 )) ASSI { 921} (( segid A and resid 76 and name HB2 )) (( segid A and resid 76 and name HG2 )) 2.700 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.30299E-02 ppm1 2.101 ppm2 2.582 CV 1 OR { 921} (( segid B and resid 76 and name HB2 )) (( segid B and resid 76 and name HG2 )) ASSI { 922} (( segid A and resid 76 and name HB1 )) (( segid A and resid 76 and name HG2 )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.21395E-02 ppm1 1.776 ppm2 2.584 CV 1 OR { 922} (( segid B and resid 76 and name HB1 )) (( segid B and resid 76 and name HG2 )) ASSI { 923} ( segid B and resid 72 and name HG1%) (( segid B and resid 76 and name HG2 )) 2.600 0.800 0.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.40675E-02 ppm1 0.804 ppm2 2.585 CV 1 OR { 923} ( segid A and resid 72 and name HG1%) (( segid A and resid 76 and name HG2 )) ASSI { 925} (( segid B and resid 11 and name HA )) (( segid B and resid 11 and name HG1 )) 2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.65929E-02 ppm1 4.614 ppm2 2.589 CV 1 OR { 925} (( segid A and resid 11 and name HA )) (( segid A and resid 11 and name HG1 )) ASSI { 928} (( segid B and resid 76 and name HA )) (( segid B and resid 76 and name HG2 )) 3.100 1.200 1.200 peak 928 spectrum 1 weight 0.10000E+01 volume 0.15270E-02 ppm1 4.349 ppm2 2.592 CV 1 OR { 928} (( segid A and resid 76 and name HA )) (( segid A and resid 76 and name HG2 )) ASSI { 934} (( segid A and resid 15 and name HB2 )) (( segid A and resid 15 and name HB1 )) 1.400 0.200 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.73958E-01 ppm1 2.714 ppm2 2.641 CV 1 OR { 934} (( segid B and resid 15 and name HB2 )) (( segid B and resid 15 and name HB1 )) ASSI { 936} (( segid B and resid 42 and name HB1 )) (( segid B and resid 42 and name HG2 )) 2.800 1.000 1.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.28282E-02 ppm1 2.184 ppm2 2.665 CV 1 OR { 936} (( segid A and resid 42 and name HB1 )) (( segid A and resid 42 and name HG2 )) OR { 936} (( segid A and resid 42 and name HB1 )) (( segid A and resid 42 and name HG1 )) OR { 936} (( segid B and resid 42 and name HB1 )) (( segid B and resid 42 and name HG1 )) ASSI { 939} (( segid A and resid 19 and name HB2 )) (( segid A and resid 19 and name HB1 )) 2.000 0.500 0.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.66001E-02 ppm1 2.957 ppm2 2.669 CV 1 OR { 939} (( segid B and resid 19 and name HB2 )) (( segid B and resid 19 and name HB1 )) ASSI { 940} (( segid A and resid 42 and name HA )) (( segid A and resid 42 and name HG1 )) 3.500 1.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17927E-02 ppm1 3.789 ppm2 2.670 CV 1 OR { 940} (( segid B and resid 42 and name HA )) (( segid B and resid 42 and name HG1 )) OR { 940} (( segid B and resid 42 and name HA )) (( segid B and resid 42 and name HG2 )) OR { 940} (( segid A and resid 42 and name HA )) (( segid A and resid 42 and name HG2 )) ASSI { 941} (( segid A and resid 11 and name HG1 )) (( segid A and resid 11 and name HG2 )) 1.100 0.200 1.100 peak 941 spectrum 1 weight 0.10000E+01 volume 0.19827E+00 ppm1 2.585 ppm2 2.675 CV 1 OR { 941} (( segid B and resid 11 and name HG1 )) (( segid B and resid 11 and name HG2 )) ASSI { 943} (( segid A and resid 11 and name HA )) (( segid A and resid 11 and name HG2 )) 3.200 1.300 1.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.26315E-02 ppm1 4.618 ppm2 2.678 CV 1 OR { 943} (( segid B and resid 11 and name HA )) (( segid B and resid 11 and name HG2 )) ASSI { 944} (( segid A and resid 82 and name HA )) (( segid A and resid 82 and name HB1 )) 2.900 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.26077E-02 ppm1 4.482 ppm2 2.690 CV 1 OR { 944} (( segid B and resid 82 and name HA )) (( segid B and resid 82 and name HB1 )) ASSI { 945} (( segid B and resid 8 and name HB2 )) (( segid B and resid 8 and name HB1 )) 1.200 0.200 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.21676E+00 ppm1 2.795 ppm2 2.697 CV 1 OR { 945} (( segid A and resid 8 and name HB2 )) (( segid A and resid 8 and name HB1 )) ASSI { 949} (( segid B and resid 15 and name HA )) (( segid B and resid 15 and name HB2 )) 2.300 0.600 0.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.16137E-01 ppm1 4.586 ppm2 2.715 CV 1 OR { 949} (( segid A and resid 15 and name HA )) (( segid A and resid 15 and name HB2 )) ASSI { 953} (( segid B and resid 69 and name HG2 )) (( segid B and resid 15 and name HB2 )) 3.000 1.100 1.100 peak 953 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 1.978 ppm2 2.739 CV 1 OR { 953} (( segid A and resid 69 and name HG2 )) (( segid A and resid 15 and name HB2 )) OR { 953} (( segid A and resid 69 and name HG1 )) (( segid A and resid 15 and name HB2 )) OR { 953} (( segid B and resid 69 and name HG1 )) (( segid B and resid 15 and name HB2 )) ASSI { 954} (( segid B and resid 36 and name HA )) (( segid B and resid 36 and name HB1 )) 2.900 1.000 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.41300E-02 ppm1 4.443 ppm2 2.742 CV 1 OR { 954} (( segid A and resid 36 and name HA )) (( segid A and resid 36 and name HB1 )) ASSI { 955} (( segid A and resid 36 and name HB2 )) (( segid A and resid 36 and name HB1 )) 2.100 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.52968E-02 ppm1 3.027 ppm2 2.751 CV 1 OR { 955} (( segid B and resid 36 and name HB2 )) (( segid B and resid 36 and name HB1 )) ASSI { 958} (( segid A and resid 87 and name HA )) (( segid A and resid 87 and name HB1 )) 2.400 0.700 0.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.60347E-02 ppm1 4.195 ppm2 2.765 CV 1 OR { 958} (( segid B and resid 87 and name HA )) (( segid B and resid 87 and name HB1 )) ASSI { 959} (( segid B and resid 87 and name HB2 )) (( segid B and resid 87 and name HB1 )) 1.500 0.300 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.29583E-01 ppm1 3.089 ppm2 2.768 CV 1 OR { 959} (( segid A and resid 87 and name HB2 )) (( segid A and resid 87 and name HB1 )) ASSI { 960} (( segid B and resid 69 and name HD2 )) (( segid B and resid 69 and name HD1 )) 2.000 0.500 0.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.30425E-02 ppm1 3.404 ppm2 2.788 CV 1 OR { 960} (( segid A and resid 69 and name HD2 )) (( segid A and resid 69 and name HD1 )) ASSI { 964} (( segid B and resid 69 and name HG1 )) (( segid B and resid 69 and name HD1 )) 2.400 0.700 0.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.42448E-02 ppm1 1.979 ppm2 2.802 CV 1 OR { 964} (( segid A and resid 69 and name HG1 )) (( segid A and resid 69 and name HD1 )) OR { 964} (( segid B and resid 69 and name HG2 )) (( segid B and resid 69 and name HD1 )) OR { 964} (( segid A and resid 69 and name HG2 )) (( segid A and resid 69 and name HD1 )) ASSI { 967} (( segid A and resid 116 and name HD1 )) (( segid A and resid 114 and name HB2 )) 2.100 2.100 3.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.71804E-02 ppm1 3.269 ppm2 2.836 CV 1 OR { 967} (( segid B and resid 116 and name HD1 )) (( segid B and resid 114 and name HB2 )) OR { 967} (( segid A and resid 116 and name HD2 )) (( segid A and resid 114 and name HB2 )) OR { 967} (( segid B and resid 116 and name HD2 )) (( segid B and resid 114 and name HB2 )) ASSI { 968} ( segid B and resid 106 and name HE% ) (( segid B and resid 56 and name HB1 )) 2.900 1.100 1.100 peak 968 spectrum 1 weight 0.10000E+01 volume 0.33787E-02 ppm1 2.070 ppm2 2.842 CV 1 OR { 968} ( segid A and resid 106 and name HE% ) (( segid A and resid 56 and name HB1 )) ASSI { 974} (( segid A and resid 52 and name HA1 )) (( segid A and resid 105 and name HB2 )) 3.500 1.500 1.500 peak 974 spectrum 1 weight 0.10000E+01 volume 0.14354E-02 ppm1 5.407 ppm2 2.902 CV 1 OR { 974} (( segid B and resid 52 and name HA1 )) (( segid B and resid 105 and name HB2 )) OR { 974} (( segid B and resid 52 and name HA2 )) (( segid B and resid 105 and name HB2 )) OR { 974} (( segid A and resid 52 and name HA2 )) (( segid A and resid 105 and name HB2 )) ASSI { 975} (( segid B and resid 98 and name HG2 )) (( segid B and resid 100 and name HD1 )) 3.300 3.300 2.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.19666E-02 ppm1 1.421 ppm2 2.905 CV 1 OR { 975} (( segid B and resid 98 and name HG2 )) (( segid B and resid 100 and name HD2 )) OR { 975} (( segid A and resid 98 and name HG2 )) (( segid A and resid 100 and name HD1 )) OR { 975} (( segid A and resid 98 and name HG2 )) (( segid A and resid 100 and name HD2 )) ASSI { 978} ( segid A and resid 106 and name HE% ) (( segid A and resid 56 and name HB2 )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33683E-02 ppm1 2.068 ppm2 2.930 CV 1 OR { 978} ( segid B and resid 106 and name HE% ) (( segid B and resid 56 and name HB2 )) ASSI { 981} ( segid A and resid 25 and name HB% ) (( segid A and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.62800E-02 ppm1 1.289 ppm2 2.951 CV 1 OR { 981} ( segid B and resid 25 and name HB% ) (( segid B and resid 61 and name HB1 )) OR { 981} ( segid B and resid 25 and name HB% ) (( segid B and resid 61 and name HB2 )) OR { 981} ( segid A and resid 25 and name HB% ) (( segid A and resid 61 and name HB1 )) ASSI { 988} (( segid A and resid 28 and name HB1 )) (( segid A and resid 28 and name HB2 )) 1.700 0.400 0.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.23389E-01 ppm1 2.649 ppm2 2.976 CV 1 OR { 988} (( segid B and resid 28 and name HB1 )) (( segid B and resid 28 and name HB2 )) ASSI { 989} (( segid B and resid 93 and name HG2 )) (( segid B and resid 19 and name HB2 )) 3.500 1.500 1.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 2.243 ppm2 2.976 CV 1 OR { 989} (( segid A and resid 93 and name HG2 )) (( segid A and resid 19 and name HB2 )) ASSI { 990} ( segid A and resid 72 and name HG1%) (( segid A and resid 19 and name HB2 )) 2.500 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.48251E-02 ppm1 0.808 ppm2 2.977 CV 1 OR { 990} ( segid B and resid 72 and name HG1%) (( segid B and resid 19 and name HB2 )) ASSI { 991} (( segid A and resid 33 and name HA )) (( segid A and resid 37 and name HA )) 3.400 3.400 2.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 4.547 ppm2 2.978 CV 1 OR { 991} (( segid B and resid 33 and name HA )) (( segid B and resid 37 and name HA )) ASSI { 995} (( segid B and resid 64 and name HA )) (( segid B and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 995 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 5.414 ppm2 2.994 CV 1 OR { 995} (( segid A and resid 64 and name HA )) (( segid A and resid 64 and name HB1 )) OR { 995} (( segid A and resid 64 and name HA )) (( segid A and resid 64 and name HB2 )) OR { 995} (( segid B and resid 64 and name HA )) (( segid B and resid 64 and name HB1 )) ASSI { 997} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HE2 )) 1.800 0.400 0.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.31718E-01 ppm1 1.680 ppm2 3.014 CV 1 OR { 997} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HE2 )) OR { 997} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HE1 )) OR { 997} (( segid B and resid 98 and name HD2 )) (( segid B and resid 98 and name HE2 )) OR { 997} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HE2 )) OR { 997} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HE1 )) OR { 997} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HE1 )) ASSI { 1002} (( segid B and resid 98 and name HB1 )) (( segid B and resid 98 and name HE1 )) 2.900 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.30856E-02 ppm1 1.720 ppm2 3.018 CV 1 OR { 1002} (( segid A and resid 98 and name HB1 )) (( segid A and resid 98 and name HE1 )) OR { 1002} (( segid B and resid 98 and name HB1 )) (( segid B and resid 98 and name HE2 )) OR { 1002} (( segid A and resid 98 and name HB1 )) (( segid A and resid 98 and name HE2 )) ASSI { 1005} (( segid A and resid 36 and name HA )) (( segid A and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.17097E-02 ppm1 4.438 ppm2 3.055 CV 1 OR { 1005} (( segid B and resid 36 and name HA )) (( segid B and resid 36 and name HB2 )) ASSI { 1006} ( segid A and resid 90 and name HD1%) (( segid A and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 0.652 ppm2 3.064 CV 1 OR { 1006} ( segid B and resid 90 and name HD1%) (( segid B and resid 21 and name HB2 )) ASSI { 1009} (( segid A and resid 90 and name HA )) (( segid A and resid 21 and name HB2 )) 3.400 1.400 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 4.060 ppm2 3.079 CV 1 OR { 1009} (( segid B and resid 90 and name HA )) (( segid B and resid 21 and name HB2 )) ASSI { 1011} (( segid B and resid 87 and name HA )) (( segid B and resid 87 and name HB2 )) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.85642E-02 ppm1 4.198 ppm2 3.090 CV 1 OR { 1011} (( segid A and resid 87 and name HA )) (( segid A and resid 87 and name HB2 )) ASSI { 1013} (( segid A and resid 101 and name HA )) (( segid A and resid 101 and name HB1 )) 3.200 1.300 1.300 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 4.607 ppm2 3.101 CV 1 OR { 1013} (( segid B and resid 101 and name HA )) (( segid B and resid 101 and name HB1 )) ASSI { 1018} ( segid B and resid 71 and name HB% ) (( segid B and resid 68 and name HB1 )) 2.400 0.700 0.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.60485E-02 ppm1 1.760 ppm2 3.182 CV 1 OR { 1018} ( segid A and resid 71 and name HB% ) (( segid A and resid 68 and name HB1 )) ASSI { 1021} (( segid A and resid 44 and name HA )) (( segid A and resid 44 and name HB1 )) 2.800 1.000 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.53263E-02 ppm1 4.216 ppm2 3.197 CV 1 OR { 1021} (( segid B and resid 44 and name HA )) (( segid B and resid 44 and name HB1 )) ASSI { 1025} (( segid B and resid 32 and name HA )) (( segid B and resid 32 and name HD2 )) 2.800 1.000 1.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.31971E-02 ppm1 3.989 ppm2 3.229 CV 1 OR { 1025} (( segid A and resid 32 and name HA )) (( segid A and resid 32 and name HD2 )) OR { 1025} (( segid B and resid 32 and name HA )) (( segid B and resid 32 and name HD1 )) OR { 1025} (( segid A and resid 32 and name HA )) (( segid A and resid 32 and name HD1 )) ASSI { 1026} (( segid B and resid 35 and name HG )) (( segid B and resid 32 and name HD1 )) 2.900 1.000 1.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.24139E-02 ppm1 1.882 ppm2 3.232 CV 1 OR { 1026} (( segid A and resid 35 and name HG )) (( segid A and resid 32 and name HD1 )) OR { 1026} (( segid B and resid 35 and name HG )) (( segid B and resid 32 and name HD2 )) OR { 1026} (( segid A and resid 35 and name HG )) (( segid A and resid 32 and name HD2 )) ASSI { 1027} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HD2 )) 3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.41972E-02 ppm1 4.513 ppm2 3.236 CV 1 OR { 1027} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HD2 )) OR { 1027} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HD1 )) OR { 1027} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HD1 )) ASSI { 1030} (( segid B and resid 81 and name HB1 )) (( segid B and resid 81 and name HD2 )) 2.500 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.76381E-02 ppm1 1.831 ppm2 3.245 CV 1 OR { 1030} (( segid A and resid 81 and name HB1 )) (( segid A and resid 81 and name HD2 )) OR { 1030} (( segid A and resid 81 and name HB1 )) (( segid A and resid 81 and name HD1 )) OR { 1030} (( segid B and resid 81 and name HB1 )) (( segid B and resid 81 and name HD1 )) ASSI { 1031} (( segid B and resid 101 and name HA )) (( segid B and resid 101 and name HB2 )) 3.300 1.400 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.15510E-02 ppm1 4.616 ppm2 3.246 CV 1 OR { 1031} (( segid A and resid 101 and name HA )) (( segid A and resid 101 and name HB2 )) ASSI { 1032} (( segid B and resid 81 and name HB2 )) (( segid B and resid 81 and name HD2 )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.49013E-02 ppm1 1.979 ppm2 3.266 CV 1 OR { 1032} (( segid A and resid 81 and name HB2 )) (( segid A and resid 81 and name HD2 )) OR { 1032} (( segid A and resid 81 and name HB2 )) (( segid A and resid 81 and name HD1 )) OR { 1032} (( segid B and resid 81 and name HB2 )) (( segid B and resid 81 and name HD1 )) ASSI { 1033} (( segid B and resid 45 and name HA )) (( segid B and resid 45 and name HB1 )) 3.300 1.400 1.400 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 4.139 ppm2 3.275 CV 1 OR { 1033} (( segid A and resid 45 and name HA )) (( segid A and resid 45 and name HB1 )) OR { 1033} (( segid B and resid 45 and name HA )) (( segid B and resid 45 and name HB2 )) OR { 1033} (( segid A and resid 45 and name HA )) (( segid A and resid 45 and name HB2 )) ASSI { 1034} (( segid B and resid 81 and name HG2 )) (( segid B and resid 81 and name HD1 )) 2.100 0.600 0.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.14390E-01 ppm1 1.717 ppm2 3.276 CV 1 OR { 1034} (( segid A and resid 81 and name HG1 )) (( segid A and resid 81 and name HD1 )) OR { 1034} (( segid A and resid 81 and name HG2 )) (( segid A and resid 81 and name HD2 )) OR { 1034} (( segid B and resid 81 and name HG1 )) (( segid B and resid 81 and name HD2 )) OR { 1034} (( segid B and resid 81 and name HG2 )) (( segid B and resid 81 and name HD2 )) OR { 1034} (( segid A and resid 81 and name HG2 )) (( segid A and resid 81 and name HD1 )) OR { 1034} (( segid B and resid 81 and name HG1 )) (( segid B and resid 81 and name HD1 )) ASSI { 1036} (( segid A and resid 47 and name HB2 )) (( segid A and resid 47 and name HD1 )) 2.300 0.600 0.600 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.13457E-01 ppm1 1.941 ppm2 3.281 CV 1 OR { 1036} (( segid B and resid 47 and name HB2 )) (( segid B and resid 47 and name HD2 )) OR { 1036} (( segid A and resid 47 and name HB1 )) (( segid A and resid 47 and name HD1 )) OR { 1036} (( segid B and resid 47 and name HB1 )) (( segid B and resid 47 and name HD2 )) OR { 1036} (( segid B and resid 47 and name HB1 )) (( segid B and resid 47 and name HD1 )) OR { 1036} (( segid A and resid 47 and name HB1 )) (( segid A and resid 47 and name HD2 )) OR { 1036} (( segid A and resid 47 and name HB2 )) (( segid A and resid 47 and name HD2 )) ASSI { 1037} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HD1 )) 3.000 1.100 1.100 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.46678E-02 ppm1 4.145 ppm2 3.281 CV 1 OR { 1037} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HD2 )) OR { 1037} (( segid A and resid 47 and name HA )) (( segid A and resid 47 and name HD1 )) OR { 1037} (( segid B and resid 47 and name HA )) (( segid B and resid 47 and name HD2 )) ASSI { 1040} (( segid B and resid 83 and name HB1 )) (( segid B and resid 83 and name HD2 )) 2.800 1.000 1.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.35444E-02 ppm1 2.067 ppm2 3.315 CV 1 OR { 1040} (( segid A and resid 83 and name HB1 )) (( segid A and resid 83 and name HD2 )) OR { 1040} (( segid B and resid 83 and name HB1 )) (( segid B and resid 83 and name HD1 )) OR { 1040} (( segid A and resid 83 and name HB1 )) (( segid A and resid 83 and name HD1 )) ASSI { 1041} (( segid B and resid 44 and name HB1 )) (( segid B and resid 44 and name HB2 )) 2.100 0.600 0.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.45439E-02 ppm1 3.196 ppm2 3.318 CV 1 OR { 1041} (( segid A and resid 44 and name HB1 )) (( segid A and resid 44 and name HB2 )) ASSI { 1042} (( segid B and resid 83 and name HB2 )) (( segid B and resid 83 and name HD1 )) 2.900 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 2.135 ppm2 3.320 CV 1 OR { 1042} (( segid A and resid 83 and name HB2 )) (( segid A and resid 83 and name HD1 )) OR { 1042} (( segid B and resid 83 and name HB2 )) (( segid B and resid 83 and name HD2 )) OR { 1042} (( segid A and resid 83 and name HB2 )) (( segid A and resid 83 and name HD2 )) ASSI { 1045} (( segid A and resid 68 and name HB1 )) (( segid A and resid 68 and name HB2 )) 1.900 0.400 0.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.67628E-02 ppm1 3.188 ppm2 3.390 CV 1 OR { 1045} (( segid B and resid 68 and name HB1 )) (( segid B and resid 68 and name HB2 )) ASSI { 1046} (( segid A and resid 69 and name HB1 )) (( segid A and resid 69 and name HD2 )) 3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.19383E-02 ppm1 2.021 ppm2 3.391 CV 1 OR { 1046} (( segid B and resid 69 and name HB1 )) (( segid B and resid 69 and name HD2 )) ASSI { 1047} ( segid A and resid 71 and name HB% ) (( segid A and resid 68 and name HB2 )) 3.200 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.63572E-02 ppm1 1.760 ppm2 3.392 CV 1 OR { 1047} ( segid B and resid 71 and name HB% ) (( segid B and resid 68 and name HB2 )) ASSI { 1048} (( segid B and resid 68 and name HA )) (( segid B and resid 68 and name HB2 )) 2.000 0.500 0.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.82794E-02 ppm1 5.130 ppm2 3.395 CV 1 OR { 1048} (( segid A and resid 68 and name HA )) (( segid A and resid 68 and name HB2 )) ASSI { 1049} (( segid B and resid 69 and name HG2 )) (( segid B and resid 69 and name HD2 )) 2.300 0.600 0.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.56688E-02 ppm1 1.977 ppm2 3.400 CV 1 OR { 1049} (( segid A and resid 69 and name HG2 )) (( segid A and resid 69 and name HD2 )) OR { 1049} (( segid B and resid 69 and name HG1 )) (( segid B and resid 69 and name HD2 )) OR { 1049} (( segid A and resid 69 and name HG1 )) (( segid A and resid 69 and name HD2 )) ASSI { 1052} ( segid A and resid 17 and name HG1%) (( segid A and resid 69 and name HD2 )) 4.400 2.400 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 0.875 ppm2 3.428 CV 1 OR { 1052} ( segid B and resid 17 and name HG1%) (( segid B and resid 69 and name HD2 )) ASSI { 1053} (( segid A and resid 69 and name HA )) (( segid A and resid 69 and name HD2 )) 3.700 1.700 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 4.129 ppm2 3.436 CV 1 OR { 1053} (( segid B and resid 69 and name HA )) (( segid B and resid 69 and name HD2 )) ASSI { 1055} ( segid A and resid 75 and name HG1%) (( segid A and resid 72 and name HA )) 2.600 0.900 0.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 0.966 ppm2 3.454 CV 1 OR { 1055} ( segid B and resid 75 and name HG1%) (( segid B and resid 72 and name HA )) ASSI { 1062} (( segid A and resid 85 and name HB2 )) (( segid A and resid 85 and name HB1 )) 2.700 2.700 3.300 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.779 ppm2 3.507 CV 1 OR { 1062} (( segid B and resid 85 and name HB2 )) (( segid B and resid 85 and name HB1 )) ASSI { 1063} (( segid A and resid 59 and name HA2 )) (( segid A and resid 59 and name HA1 )) 2.200 0.600 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.50810E-02 ppm1 4.271 ppm2 3.508 CV 1 OR { 1063} (( segid B and resid 59 and name HA2 )) (( segid B and resid 59 and name HA1 )) ASSI { 1067} (( segid B and resid 40 and name HB )) (( segid B and resid 41 and name HA )) 4.100 2.100 1.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.13841E-02 ppm1 4.046 ppm2 3.585 CV 1 OR { 1067} (( segid A and resid 40 and name HB )) (( segid A and resid 41 and name HA )) OR { 1067} (( segid B and resid 40 and name HB )) (( segid B and resid 41 and name HB1 )) OR { 1067} (( segid A and resid 40 and name HB )) (( segid A and resid 41 and name HB1 )) OR { 1067} (( segid B and resid 40 and name HB )) (( segid B and resid 41 and name HB2 )) OR { 1067} (( segid A and resid 40 and name HB )) (( segid A and resid 41 and name HB2 )) ASSI { 1069} (( segid A and resid 44 and name HB1 )) (( segid A and resid 41 and name HA )) 3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 3.195 ppm2 3.586 CV 1 OR { 1069} (( segid B and resid 44 and name HB1 )) (( segid B and resid 41 and name HA )) ASSI { 1074} ( segid A and resid 79 and name HD1%) (( segid A and resid 79 and name HA )) 4.100 2.100 1.900 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.22053E-02 ppm1 0.168 ppm2 3.622 CV 1 OR { 1074} ( segid B and resid 79 and name HD1%) (( segid B and resid 79 and name HA )) ASSI { 1078} (( segid B and resid 56 and name HA )) (( segid B and resid 57 and name HB1 )) 4.000 2.000 2.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.13365E-02 ppm1 5.547 ppm2 3.677 CV 1 OR { 1078} (( segid A and resid 56 and name HA )) (( segid A and resid 57 and name HB1 )) OR { 1078} (( segid A and resid 56 and name HA )) (( segid A and resid 57 and name HB2 )) OR { 1078} (( segid B and resid 56 and name HA )) (( segid B and resid 57 and name HB2 )) ASSI { 1083} (( segid B and resid 23 and name HB2 )) (( segid B and resid 23 and name HB1 )) 2.300 0.700 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 3.842 ppm2 3.714 CV 1 OR { 1083} (( segid A and resid 23 and name HB2 )) (( segid A and resid 23 and name HB1 )) ASSI { 1087} ( segid A and resid 88 and name HG1%) (( segid A and resid 80 and name HA )) 2.200 0.600 0.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.12672E-01 ppm1 0.135 ppm2 3.718 CV 1 OR { 1087} ( segid B and resid 88 and name HG1%) (( segid B and resid 80 and name HA )) ASSI { 1088} (( segid A and resid 80 and name HG1 )) (( segid A and resid 80 and name HA )) 2.900 1.000 1.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.82800E-02 ppm1 2.043 ppm2 3.719 CV 1 OR { 1088} (( segid B and resid 80 and name HG1 )) (( segid B and resid 80 and name HA )) ASSI { 1089} (( segid B and resid 80 and name HB2 )) (( segid B and resid 80 and name HA )) 2.900 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.48267E-02 ppm1 2.065 ppm2 3.719 CV 1 OR { 1089} (( segid A and resid 80 and name HB2 )) (( segid A and resid 80 and name HA )) ASSI { 1092} (( segid A and resid 18 and name HA )) (( segid A and resid 18 and name HB1 )) 3.100 1.200 1.200 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.11371E-02 ppm1 5.721 ppm2 3.739 CV 1 OR { 1092} (( segid B and resid 18 and name HA )) (( segid B and resid 18 and name HB1 )) ASSI { 1094} (( segid A and resid 61 and name HB1 )) (( segid A and resid 23 and name HB1 )) 3.400 1.500 1.500 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 2.908 ppm2 3.768 CV 1 OR { 1094} (( segid A and resid 61 and name HB2 )) (( segid A and resid 23 and name HB1 )) OR { 1094} (( segid B and resid 61 and name HB2 )) (( segid B and resid 23 and name HB1 )) OR { 1094} (( segid B and resid 61 and name HB1 )) (( segid B and resid 23 and name HB1 )) ASSI { 1108} ( segid A and resid 26 and name HB% ) (( segid A and resid 27 and name HD1 )) 3.500 1.500 1.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.50268E-02 ppm1 1.540 ppm2 3.838 CV 1 OR { 1108} ( segid B and resid 26 and name HB% ) (( segid B and resid 27 and name HD1 )) ASSI { 1109} (( segid A and resid 18 and name HA )) (( segid A and resid 18 and name HB2 )) 2.900 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 5.715 ppm2 3.857 CV 1 OR { 1109} (( segid B and resid 18 and name HA )) (( segid B and resid 18 and name HB2 )) ASSI { 1111} (( segid A and resid 77 and name HA )) (( segid A and resid 77 and name HB2 )) 2.200 0.600 0.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.14718E-01 ppm1 4.110 ppm2 3.864 CV 1 OR { 1111} (( segid B and resid 77 and name HA )) (( segid B and resid 77 and name HB2 )) OR { 1111} (( segid A and resid 77 and name HA )) (( segid A and resid 77 and name HB1 )) OR { 1111} (( segid B and resid 77 and name HA )) (( segid B and resid 77 and name HB1 )) ASSI { 1113} (( segid A and resid 18 and name HB1 )) (( segid A and resid 18 and name HB2 )) 2.300 0.700 0.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.21945E-02 ppm1 3.722 ppm2 3.869 CV 1 OR { 1113} (( segid B and resid 18 and name HB1 )) (( segid B and resid 18 and name HB2 )) ASSI { 1115} ( segid A and resid 96 and name HG2%) (( segid A and resid 18 and name HB2 )) 3.100 1.200 1.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27316E-02 ppm1 1.042 ppm2 3.882 CV 1 OR { 1115} ( segid B and resid 96 and name HG2%) (( segid B and resid 18 and name HB2 )) ASSI { 1116} (( segid B and resid 27 and name HB2 )) (( segid B and resid 27 and name HD2 )) 3.500 1.600 1.600 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.35093E-02 ppm1 2.437 ppm2 3.885 CV 1 OR { 1116} (( segid A and resid 27 and name HB2 )) (( segid A and resid 27 and name HD2 )) ASSI { 1118} (( segid B and resid 27 and name HB1 )) (( segid B and resid 27 and name HD2 )) 3.400 1.400 1.400 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.38815E-02 ppm1 2.055 ppm2 3.887 CV 1 OR { 1118} (( segid A and resid 27 and name HB1 )) (( segid A and resid 27 and name HD2 )) ASSI { 1120} (( segid A and resid 74 and name HA )) (( segid A and resid 77 and name HB2 )) 2.600 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.47653E-02 ppm1 4.004 ppm2 3.887 CV 1 OR { 1120} (( segid B and resid 74 and name HA )) (( segid B and resid 77 and name HB2 )) OR { 1120} (( segid A and resid 74 and name HA )) (( segid A and resid 77 and name HB1 )) OR { 1120} (( segid B and resid 74 and name HA )) (( segid B and resid 77 and name HB1 )) ASSI { 1122} (( segid B and resid 14 and name HA )) (( segid B and resid 14 and name HB1 )) 2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.65828E-02 ppm1 4.601 ppm2 3.892 CV 1 OR { 1122} (( segid A and resid 14 and name HA )) (( segid A and resid 14 and name HB1 )) ASSI { 1123} (( segid A and resid 26 and name HA )) (( segid A and resid 27 and name HD2 )) 2.300 0.600 0.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.66851E-02 ppm1 4.609 ppm2 3.898 CV 1 OR { 1123} (( segid B and resid 26 and name HA )) (( segid B and resid 27 and name HD2 )) ASSI { 1128} ( segid A and resid 26 and name HB% ) (( segid A and resid 27 and name HD2 )) 2.700 0.900 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.83375E-02 ppm1 1.539 ppm2 3.917 CV 1 OR { 1128} ( segid B and resid 26 and name HB% ) (( segid B and resid 27 and name HD2 )) ASSI { 1133} (( segid B and resid 87 and name HB1 )) (( segid B and resid 86 and name HB1 )) 4.100 2.100 1.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.95274E-03 ppm1 2.781 ppm2 3.923 CV 1 OR { 1133} (( segid A and resid 87 and name HB1 )) (( segid A and resid 86 and name HB1 )) ASSI { 1136} (( segid A and resid 87 and name HB2 )) (( segid A and resid 86 and name HB1 )) 3.400 1.500 1.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 3.090 ppm2 3.939 CV 1 OR { 1136} (( segid B and resid 87 and name HB2 )) (( segid B and resid 86 and name HB1 )) ASSI { 1139} (( segid A and resid 86 and name HB2 )) (( segid A and resid 86 and name HB1 )) 1.800 0.400 0.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.90979E-02 ppm1 4.074 ppm2 3.946 CV 1 OR { 1139} (( segid B and resid 86 and name HB2 )) (( segid B and resid 86 and name HB1 )) ASSI { 1144} (( segid A and resid 14 and name HA )) (( segid A and resid 14 and name HB2 )) 2.400 0.700 0.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.74299E-02 ppm1 4.601 ppm2 3.965 CV 1 OR { 1144} (( segid B and resid 14 and name HA )) (( segid B and resid 14 and name HB2 )) ASSI { 1146} (( segid A and resid 94 and name HA )) (( segid A and resid 95 and name HB1 )) 3.500 1.500 1.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.32388E-02 ppm1 4.929 ppm2 3.965 CV 1 OR { 1146} (( segid B and resid 94 and name HA )) (( segid B and resid 95 and name HB1 )) OR { 1146} (( segid B and resid 94 and name HA )) (( segid B and resid 95 and name HB2 )) OR { 1146} (( segid A and resid 94 and name HA )) (( segid A and resid 95 and name HB2 )) ASSI { 1148} (( segid B and resid 26 and name HA )) (( segid B and resid 86 and name HB1 )) 3.000 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.59101E-02 ppm1 4.611 ppm2 3.971 CV 1 OR { 1148} (( segid A and resid 26 and name HA )) (( segid A and resid 86 and name HB1 )) ASSI { 1151} ( segid B and resid 26 and name HB% ) (( segid B and resid 86 and name HB1 )) 3.000 1.100 1.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.70584E-02 ppm1 1.537 ppm2 3.976 CV 1 OR { 1151} ( segid A and resid 26 and name HB% ) (( segid A and resid 86 and name HB1 )) ASSI { 1159} (( segid A and resid 112 and name HG2 )) (( segid A and resid 112 and name HA )) 3.400 1.400 1.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.22905E-02 ppm1 2.437 ppm2 3.979 CV 1 OR { 1159} (( segid B and resid 112 and name HG2 )) (( segid B and resid 112 and name HA )) ASSI { 1161} (( segid A and resid 35 and name HB2 )) (( segid A and resid 32 and name HA )) 3.300 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 1.963 ppm2 3.987 CV 1 OR { 1161} (( segid B and resid 35 and name HB2 )) (( segid B and resid 32 and name HA )) ASSI { 1165} ( segid B and resid 17 and name HG2%) (( segid B and resid 95 and name HB1 )) 2.700 0.900 0.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.81077E-02 ppm1 0.966 ppm2 3.992 CV 1 OR { 1165} ( segid A and resid 17 and name HG2%) (( segid A and resid 95 and name HB1 )) OR { 1165} ( segid B and resid 17 and name HG2%) (( segid B and resid 95 and name HB2 )) OR { 1165} ( segid A and resid 17 and name HG2%) (( segid A and resid 95 and name HB2 )) ASSI { 1166} (( segid B and resid 49 and name HG2 )) (( segid B and resid 49 and name HA )) 2.400 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.11465E-01 ppm1 2.336 ppm2 3.993 CV 1 OR { 1166} (( segid A and resid 49 and name HG1 )) (( segid A and resid 49 and name HA )) OR { 1166} (( segid B and resid 49 and name HG1 )) (( segid B and resid 49 and name HA )) OR { 1166} (( segid A and resid 49 and name HG2 )) (( segid A and resid 49 and name HA )) ASSI { 1167} (( segid A and resid 35 and name HB1 )) (( segid A and resid 32 and name HA )) 3.800 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.15825E-02 ppm1 1.619 ppm2 3.994 CV 1 OR { 1167} (( segid B and resid 35 and name HB1 )) (( segid B and resid 32 and name HA )) ASSI { 1168} (( segid A and resid 35 and name HG )) (( segid A and resid 32 and name HA )) 2.900 1.100 1.100 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.18734E-02 ppm1 1.889 ppm2 3.995 CV 1 OR { 1168} (( segid B and resid 35 and name HG )) (( segid B and resid 32 and name HA )) ASSI { 1173} ( segid B and resid 48 and name HB% ) (( segid B and resid 49 and name HA )) 3.500 1.500 1.500 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.31254E-02 ppm1 1.113 ppm2 4.005 CV 1 OR { 1173} ( segid A and resid 48 and name HB% ) (( segid A and resid 49 and name HA )) ASSI { 1174} (( segid B and resid 39 and name HB2 )) (( segid B and resid 39 and name HA )) 2.600 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.57354E-02 ppm1 2.252 ppm2 4.007 CV 1 OR { 1174} (( segid A and resid 39 and name HB2 )) (( segid A and resid 39 and name HA )) ASSI { 1175} ( segid A and resid 51 and name HG2%) (( segid A and resid 67 and name HA2 )) 3.300 1.400 1.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.21078E-02 ppm1 1.174 ppm2 4.007 CV 1 OR { 1175} ( segid B and resid 51 and name HG2%) (( segid B and resid 67 and name HA2 )) ASSI { 1177} ( segid B and resid 72 and name HG1%) (( segid B and resid 73 and name HA )) 3.000 1.100 1.100 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.41153E-02 ppm1 0.802 ppm2 4.008 CV 1 OR { 1177} ( segid A and resid 72 and name HG1%) (( segid A and resid 73 and name HA )) ASSI { 1178} ( segid A and resid 72 and name HG2%) (( segid A and resid 73 and name HA )) 3.500 1.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.41168E-02 ppm1 0.744 ppm2 4.008 CV 1 OR { 1178} ( segid B and resid 72 and name HG2%) (( segid B and resid 73 and name HA )) ASSI { 1180} (( segid A and resid 39 and name HB1 )) (( segid A and resid 39 and name HA )) 2.500 0.800 0.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.59795E-02 ppm1 2.140 ppm2 4.014 CV 1 OR { 1180} (( segid B and resid 39 and name HB1 )) (( segid B and resid 39 and name HA )) ASSI { 1182} (( segid B and resid 38 and name HB )) (( segid B and resid 35 and name HA )) 2.900 1.000 1.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.25492E-02 ppm1 2.369 ppm2 4.016 CV 1 OR { 1182} (( segid A and resid 38 and name HB )) (( segid A and resid 35 and name HA )) ASSI { 1187} (( segid B and resid 111 and name HB1 )) (( segid B and resid 111 and name HB2 )) 2.500 2.500 3.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 3.843 ppm2 4.022 CV 1 OR { 1187} (( segid A and resid 111 and name HB1 )) (( segid A and resid 111 and name HB2 )) ASSI { 1190} (( segid A and resid 37 and name HA )) (( segid A and resid 40 and name HB )) 3.300 1.300 1.300 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 2.996 ppm2 4.025 CV 1 OR { 1190} (( segid B and resid 37 and name HA )) (( segid B and resid 40 and name HB )) ASSI { 1191} (( segid A and resid 37 and name HB )) (( segid A and resid 34 and name HA )) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.15654E-02 ppm1 1.835 ppm2 4.025 CV 1 OR { 1191} (( segid B and resid 37 and name HB )) (( segid B and resid 34 and name HA )) ASSI { 1192} ( segid B and resid 43 and name HB% ) (( segid B and resid 40 and name HA )) 2.500 0.800 0.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.79815E-02 ppm1 1.573 ppm2 4.026 CV 1 OR { 1192} ( segid A and resid 43 and name HB% ) (( segid A and resid 40 and name HA )) ASSI { 1193} ( segid A and resid 40 and name HG2%) (( segid A and resid 40 and name HB )) 1.900 0.500 0.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.27266E-01 ppm1 1.293 ppm2 4.027 CV 1 OR { 1193} ( segid B and resid 40 and name HG2%) (( segid B and resid 40 and name HB )) ASSI { 1196} ( segid A and resid 37 and name HG2%) (( segid A and resid 34 and name HA )) 3.100 1.200 1.200 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 -0.671 ppm2 4.028 CV 1 OR { 1196} ( segid B and resid 37 and name HG2%) (( segid B and resid 34 and name HA )) ASSI { 1197} (( segid A and resid 96 and name HG11)) (( segid A and resid 67 and name HA2 )) 2.900 2.900 3.100 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.41166E-02 ppm1 0.698 ppm2 4.029 CV 1 OR { 1197} (( segid B and resid 96 and name HG11)) (( segid B and resid 67 and name HA2 )) ASSI { 1206} ( segid A and resid 90 and name HG2%) (( segid A and resid 90 and name HA )) 2.200 0.600 0.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.72600E-02 ppm1 0.929 ppm2 4.052 CV 1 OR { 1206} ( segid B and resid 90 and name HG2%) (( segid B and resid 90 and name HA )) ASSI { 1209} ( segid B and resid 35 and name HD1%) (( segid B and resid 34 and name HA )) 2.100 2.100 3.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.61125E-02 ppm1 1.003 ppm2 4.056 CV 1 OR { 1209} ( segid A and resid 35 and name HD1%) (( segid A and resid 34 and name HA )) ASSI { 1210} ( segid A and resid 90 and name HD1%) (( segid A and resid 90 and name HA )) 2.800 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.43434E-02 ppm1 0.651 ppm2 4.057 CV 1 OR { 1210} ( segid B and resid 90 and name HD1%) (( segid B and resid 90 and name HA )) ASSI { 1213} (( segid A and resid 90 and name HG11)) (( segid A and resid 90 and name HA )) 3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.17679E-02 ppm1 1.047 ppm2 4.073 CV 1 OR { 1213} (( segid B and resid 90 and name HG11)) (( segid B and resid 90 and name HA )) ASSI { 1214} ( segid B and resid 29 and name HD1%) (( segid B and resid 86 and name HB2 )) 3.300 1.400 1.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.21379E-02 ppm1 0.882 ppm2 4.075 CV 1 OR { 1214} ( segid A and resid 29 and name HD1%) (( segid A and resid 86 and name HB2 )) ASSI { 1215} ( segid A and resid 51 and name HG2%) (( segid A and resid 103 and name HA1 )) 3.600 1.600 1.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.21929E-02 ppm1 1.179 ppm2 4.076 CV 1 OR { 1215} ( segid B and resid 51 and name HG2%) (( segid B and resid 103 and name HA1 )) ASSI { 1216} (( segid B and resid 61 and name HB1 )) (( segid B and resid 86 and name HB2 )) 3.700 1.700 1.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 2.906 ppm2 4.076 CV 1 OR { 1216} (( segid A and resid 61 and name HB2 )) (( segid A and resid 86 and name HB2 )) OR { 1216} (( segid B and resid 61 and name HB2 )) (( segid B and resid 86 and name HB2 )) OR { 1216} (( segid A and resid 61 and name HB1 )) (( segid A and resid 86 and name HB2 )) ASSI { 1220} (( segid B and resid 80 and name HG1 )) (( segid B and resid 77 and name HA )) 3.300 1.300 1.300 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.18396E-02 ppm1 2.052 ppm2 4.111 CV 1 OR { 1220} (( segid A and resid 80 and name HG1 )) (( segid A and resid 77 and name HA )) ASSI { 1223} ( segid B and resid 73 and name HB% ) (( segid B and resid 69 and name HA )) 2.200 2.200 3.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.43332E-02 ppm1 1.489 ppm2 4.116 CV 1 OR { 1223} ( segid A and resid 73 and name HB% ) (( segid A and resid 69 and name HA )) ASSI { 1224} (( segid A and resid 69 and name HG1 )) (( segid A and resid 69 and name HA )) 3.000 1.100 1.100 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.45622E-02 ppm1 1.973 ppm2 4.119 CV 1 OR { 1224} (( segid B and resid 69 and name HG1 )) (( segid B and resid 69 and name HA )) OR { 1224} (( segid A and resid 69 and name HG2 )) (( segid A and resid 69 and name HA )) OR { 1224} (( segid B and resid 69 and name HG2 )) (( segid B and resid 69 and name HA )) ASSI { 1225} ( segid A and resid 72 and name HG1%) (( segid A and resid 69 and name HA )) 3.400 1.400 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.41287E-02 ppm1 0.800 ppm2 4.119 CV 1 OR { 1225} ( segid B and resid 72 and name HG1%) (( segid B and resid 69 and name HA )) ASSI { 1233} ( segid A and resid 72 and name HG2%) (( segid A and resid 69 and name HA )) 2.400 0.700 0.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.57473E-02 ppm1 0.740 ppm2 4.121 CV 1 OR { 1233} ( segid B and resid 72 and name HG2%) (( segid B and resid 69 and name HA )) ASSI { 1238} (( segid B and resid 49 and name HG2 )) (( segid B and resid 47 and name HA )) 3.100 1.200 1.200 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.20971E-02 ppm1 2.339 ppm2 4.137 CV 1 OR { 1238} (( segid A and resid 49 and name HG1 )) (( segid A and resid 47 and name HA )) OR { 1238} (( segid A and resid 49 and name HG2 )) (( segid A and resid 47 and name HA )) OR { 1238} (( segid B and resid 49 and name HG1 )) (( segid B and resid 47 and name HA )) ASSI { 1243} ( segid A and resid 48 and name HB% ) (( segid A and resid 45 and name HA )) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.65145E-02 ppm1 1.128 ppm2 4.145 CV 1 OR { 1243} ( segid B and resid 48 and name HB% ) (( segid B and resid 45 and name HA )) ASSI { 1250} ( segid B and resid 88 and name HG1%) (( segid B and resid 87 and name HA )) 3.100 1.200 1.200 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.22217E-02 ppm1 0.139 ppm2 4.192 CV 1 OR { 1250} ( segid A and resid 88 and name HG1%) (( segid A and resid 87 and name HA )) ASSI { 1257} (( segid B and resid 84 and name HD1 )) (( segid B and resid 84 and name HA )) 2.900 1.000 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.73144E-02 ppm1 3.277 ppm2 4.215 CV 1 OR { 1257} (( segid A and resid 84 and name HD1 )) (( segid A and resid 84 and name HA )) OR { 1257} (( segid B and resid 84 and name HD2 )) (( segid B and resid 84 and name HA )) OR { 1257} (( segid A and resid 84 and name HD2 )) (( segid A and resid 84 and name HA )) ASSI { 1258} ( segid A and resid 46 and name HB% ) (( segid A and resid 43 and name HA )) 2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.74825E-02 ppm1 1.635 ppm2 4.243 CV 1 OR { 1258} ( segid B and resid 46 and name HB% ) (( segid B and resid 43 and name HA )) ASSI { 1262} ( segid A and resid 9 and name HG1%) (( segid A and resid 9 and name HA )) 2.200 0.600 0.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.14394E-01 ppm1 1.010 ppm2 4.259 CV 1 OR { 1262} (( segid B and resid 9 and name HG11)) (( segid B and resid 9 and name HA )) OR { 1262} (( segid B and resid 9 and name HG13)) (( segid B and resid 9 and name HA )) ASSI { 1263} ( segid B and resid 43 and name HB% ) (( segid B and resid 43 and name HA )) 1.900 0.400 0.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.38436E-01 ppm1 1.573 ppm2 4.264 CV 1 OR { 1263} ( segid A and resid 43 and name HB% ) (( segid A and resid 43 and name HA )) ASSI { 1265} (( segid A and resid 10 and name HA )) (( segid A and resid 10 and name HB )) 1.800 0.400 0.400 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.41954E-01 ppm1 4.368 ppm2 4.286 CV 1 OR { 1265} (( segid B and resid 10 and name HA )) (( segid B and resid 10 and name HB )) ASSI { 1266} (( segid B and resid 103 and name HA1 )) (( segid B and resid 103 and name HA2 )) 1.900 0.400 0.400 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.11055E-01 ppm1 4.066 ppm2 4.287 CV 1 OR { 1266} (( segid A and resid 103 and name HA1 )) (( segid A and resid 103 and name HA2 )) ASSI { 1269} (( segid B and resid 117 and name HB1 )) (( segid B and resid 117 and name HA )) 2.600 0.800 0.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.57091E-02 ppm1 3.931 ppm2 4.306 CV 1 OR { 1269} (( segid A and resid 117 and name HB1 )) (( segid A and resid 117 and name HA )) OR { 1269} (( segid A and resid 117 and name HB2 )) (( segid A and resid 117 and name HA )) OR { 1269} (( segid B and resid 117 and name HB2 )) (( segid B and resid 117 and name HA )) ASSI { 1279} ( segid A and resid 71 and name HB% ) (( segid A and resid 70 and name HA )) 3.300 1.300 1.300 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.64685E-02 ppm1 1.762 ppm2 4.333 CV 1 OR { 1279} ( segid B and resid 71 and name HB% ) (( segid B and resid 70 and name HA )) ASSI { 1282} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HA )) 2.600 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.41674E-02 ppm1 1.355 ppm2 4.342 CV 1 OR { 1282} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HA )) ASSI { 1283} (( segid A and resid 12 and name HA )) (( segid A and resid 12 and name HB )) 1.800 0.400 0.400 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.41027E-01 ppm1 4.449 ppm2 4.344 CV 1 OR { 1283} (( segid B and resid 12 and name HA )) (( segid B and resid 12 and name HB )) ASSI { 1284} (( segid B and resid 49 and name HG2 )) (( segid B and resid 48 and name HA )) 3.000 1.100 1.100 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.34052E-02 ppm1 2.335 ppm2 4.345 CV 1 OR { 1284} (( segid A and resid 49 and name HG1 )) (( segid A and resid 48 and name HA )) OR { 1284} (( segid B and resid 49 and name HG1 )) (( segid B and resid 48 and name HA )) OR { 1284} (( segid A and resid 49 and name HG2 )) (( segid A and resid 48 and name HA )) ASSI { 1286} ( segid A and resid 12 and name HG2%) (( segid A and resid 12 and name HB )) 1.800 0.400 0.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.52544E-01 ppm1 1.287 ppm2 4.348 CV 1 OR { 1286} ( segid B and resid 12 and name HG2%) (( segid B and resid 12 and name HB )) ASSI { 1288} ( segid A and resid 7 and name HB% ) (( segid A and resid 7 and name HA )) 1.800 0.400 0.400 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.51595E-01 ppm1 1.441 ppm2 4.353 CV 1 OR { 1288} (( segid B and resid 7 and name HB3 )) (( segid B and resid 7 and name HA )) OR { 1288} (( segid B and resid 7 and name HB2 )) (( segid B and resid 7 and name HA )) ASSI { 1290} ( segid A and resid 29 and name HD1%) (( segid A and resid 29 and name HA )) 3.600 1.600 1.600 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.27269E-02 ppm1 0.892 ppm2 4.356 CV 1 OR { 1290} ( segid B and resid 29 and name HD1%) (( segid B and resid 29 and name HA )) ASSI { 1293} ( segid B and resid 79 and name HD1%) (( segid B and resid 76 and name HA )) 2.600 0.800 0.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.40940E-02 ppm1 0.168 ppm2 4.362 CV 1 OR { 1293} ( segid A and resid 79 and name HD1%) (( segid A and resid 76 and name HA )) ASSI { 1296} ( segid A and resid 5 and name HD1%) (( segid A and resid 5 and name HA )) 1.900 0.400 0.400 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.30545E-01 ppm1 0.907 ppm2 4.374 CV 1 OR { 1296} (( segid B and resid 5 and name HD12)) (( segid B and resid 5 and name HA )) OR { 1296} (( segid B and resid 5 and name HD13)) (( segid B and resid 5 and name HA )) ASSI { 1301} ( segid B and resid 30 and name HG2%) (( segid B and resid 29 and name HA )) 3.500 1.500 1.500 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.22315E-02 ppm1 1.468 ppm2 4.383 CV 1 OR { 1301} ( segid A and resid 30 and name HG2%) (( segid A and resid 29 and name HA )) ASSI { 1302} (( segid B and resid 114 and name HB1 )) (( segid B and resid 115 and name HA )) 3.700 1.800 1.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 2.590 ppm2 4.398 CV 1 OR { 1302} (( segid A and resid 114 and name HB1 )) (( segid A and resid 115 and name HA )) ASSI { 1303} (( segid B and resid 29 and name HB2 )) (( segid B and resid 29 and name HA )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.25838E-02 ppm1 1.943 ppm2 4.398 CV 1 OR { 1303} (( segid A and resid 29 and name HB2 )) (( segid A and resid 29 and name HA )) ASSI { 1304} (( segid A and resid 98 and name HD2 )) (( segid A and resid 98 and name HA )) 3.200 1.300 1.300 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.27761E-02 ppm1 1.677 ppm2 4.401 CV 1 OR { 1304} (( segid B and resid 98 and name HD2 )) (( segid B and resid 98 and name HA )) OR { 1304} (( segid B and resid 98 and name HD1 )) (( segid B and resid 98 and name HA )) OR { 1304} (( segid A and resid 98 and name HD1 )) (( segid A and resid 98 and name HA )) ASSI { 1307} (( segid A and resid 98 and name HB2 )) (( segid A and resid 98 and name HA )) 2.100 0.600 0.600 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.86887E-02 ppm1 1.793 ppm2 4.404 CV 1 OR { 1307} (( segid B and resid 98 and name HB2 )) (( segid B and resid 98 and name HA )) ASSI { 1311} (( segid A and resid 98 and name HE1 )) (( segid A and resid 98 and name HA )) 3.500 1.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.24183E-02 ppm1 3.009 ppm2 4.412 CV 1 OR { 1311} (( segid B and resid 98 and name HE1 )) (( segid B and resid 98 and name HA )) OR { 1311} (( segid A and resid 98 and name HE2 )) (( segid A and resid 98 and name HA )) OR { 1311} (( segid B and resid 98 and name HE2 )) (( segid B and resid 98 and name HA )) ASSI { 1313} ( segid A and resid 16 and name HD2%) (( segid A and resid 97 and name HA )) 2.300 0.700 0.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.83895E-02 ppm1 0.792 ppm2 4.414 CV 1 OR { 1313} ( segid B and resid 16 and name HD2%) (( segid B and resid 97 and name HA )) ASSI { 1314} ( segid B and resid 70 and name HB% ) (( segid B and resid 71 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.78601E-02 ppm1 1.637 ppm2 4.419 CV 1 OR { 1314} ( segid A and resid 70 and name HB% ) (( segid A and resid 71 and name HA )) ASSI { 1315} (( segid A and resid 39 and name HB2 )) (( segid A and resid 36 and name HA )) 2.800 1.000 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.27578E-02 ppm1 2.248 ppm2 4.424 CV 1 OR { 1315} (( segid B and resid 39 and name HB2 )) (( segid B and resid 36 and name HA )) ASSI { 1316} (( segid B and resid 39 and name HA )) (( segid B and resid 36 and name HA )) 3.900 1.900 1.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.17152E-02 ppm1 4.013 ppm2 4.427 CV 1 OR { 1316} (( segid A and resid 39 and name HA )) (( segid A and resid 36 and name HA )) ASSI { 1318} (( segid B and resid 39 and name HB1 )) (( segid B and resid 36 and name HA )) 3.200 1.300 1.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.38427E-02 ppm1 2.139 ppm2 4.432 CV 1 OR { 1318} (( segid A and resid 39 and name HB1 )) (( segid A and resid 36 and name HA )) ASSI { 1324} (( segid B and resid 81 and name HB2 )) (( segid B and resid 82 and name HA )) 2.600 2.600 3.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.10430E-01 ppm1 1.978 ppm2 4.468 CV 1 OR { 1324} (( segid A and resid 81 and name HB2 )) (( segid A and resid 82 and name HA )) ASSI { 1326} (( segid A and resid 91 and name HG )) (( segid A and resid 91 and name HA )) 2.400 0.700 0.700 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.76207E-02 ppm1 1.710 ppm2 4.470 CV 1 OR { 1326} (( segid B and resid 91 and name HG )) (( segid B and resid 91 and name HA )) ASSI { 1327} (( segid A and resid 27 and name HG1 )) (( segid A and resid 27 and name HA )) 3.500 1.500 1.500 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.40879E-02 ppm1 2.110 ppm2 4.471 CV 1 OR { 1327} (( segid B and resid 27 and name HG1 )) (( segid B and resid 27 and name HA )) ASSI { 1333} (( segid B and resid 81 and name HB1 )) (( segid B and resid 82 and name HA )) 2.700 2.700 3.300 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.67820E-02 ppm1 1.829 ppm2 4.475 CV 1 OR { 1333} (( segid A and resid 81 and name HB1 )) (( segid A and resid 82 and name HA )) ASSI { 1340} (( segid B and resid 124 and name HD1 )) (( segid B and resid 123 and name HA )) 2.500 0.800 0.800 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.75220E-02 ppm1 3.234 ppm2 4.508 CV 1 OR { 1340} (( segid A and resid 124 and name HD1 )) (( segid A and resid 123 and name HA )) OR { 1340} (( segid A and resid 124 and name HD2 )) (( segid A and resid 123 and name HA )) OR { 1340} (( segid B and resid 124 and name HD2 )) (( segid B and resid 123 and name HA )) ASSI { 1344} (( segid B and resid 33 and name HB2 )) (( segid B and resid 33 and name HA )) 3.000 1.100 1.100 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.20408E-02 ppm1 3.201 ppm2 4.564 CV 1 OR { 1344} (( segid A and resid 33 and name HB2 )) (( segid A and resid 33 and name HA )) ASSI { 1345} ( segid B and resid 72 and name HG2%) (( segid B and resid 67 and name HA1 )) 2.400 0.700 0.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.38742E-02 ppm1 0.740 ppm2 4.566 CV 1 OR { 1345} ( segid A and resid 72 and name HG2%) (( segid A and resid 67 and name HA1 )) ASSI { 1346} (( segid B and resid 36 and name HB1 )) (( segid B and resid 33 and name HA )) 3.500 1.500 1.500 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.11240E-02 ppm1 2.754 ppm2 4.569 CV 1 OR { 1346} (( segid A and resid 36 and name HB1 )) (( segid A and resid 33 and name HA )) ASSI { 1347} (( segid A and resid 36 and name HB2 )) (( segid A and resid 33 and name HA )) 3.500 1.500 1.500 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.11057E-02 ppm1 3.027 ppm2 4.572 CV 1 OR { 1347} (( segid B and resid 36 and name HB2 )) (( segid B and resid 33 and name HA )) ASSI { 1348} (( segid B and resid 67 and name HA2 )) (( segid B and resid 67 and name HA1 )) 2.000 0.500 0.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.51427E-02 ppm1 4.008 ppm2 4.584 CV 1 OR { 1348} (( segid A and resid 67 and name HA2 )) (( segid A and resid 67 and name HA1 )) ASSI { 1350} (( segid B and resid 15 and name HB1 )) (( segid B and resid 15 and name HA )) 2.300 0.600 0.600 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.11405E-01 ppm1 2.634 ppm2 4.586 CV 1 OR { 1350} (( segid A and resid 15 and name HB1 )) (( segid A and resid 15 and name HA )) ASSI { 1351} ( segid A and resid 50 and name HD2%) (( segid A and resid 67 and name HA1 )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.68418E-02 ppm1 0.925 ppm2 4.586 CV 1 OR { 1351} ( segid B and resid 50 and name HD2%) (( segid B and resid 67 and name HA1 )) ASSI { 1354} (( segid B and resid 32 and name HD1 )) (( segid B and resid 33 and name HA )) 3.100 3.100 2.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.33066E-02 ppm1 3.259 ppm2 4.605 CV 1 OR { 1354} (( segid A and resid 32 and name HD1 )) (( segid A and resid 33 and name HA )) OR { 1354} (( segid A and resid 32 and name HD2 )) (( segid A and resid 33 and name HA )) OR { 1354} (( segid B and resid 32 and name HD2 )) (( segid B and resid 33 and name HA )) ASSI { 1355} (( segid B and resid 27 and name HG2 )) (( segid B and resid 26 and name HA )) 4.000 2.000 2.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.32501E-02 ppm1 2.163 ppm2 4.606 CV 1 OR { 1355} (( segid A and resid 27 and name HG2 )) (( segid A and resid 26 and name HA )) ASSI { 1356} ( segid A and resid 92 and name HB% ) (( segid A and resid 92 and name HA )) 2.000 0.500 0.500 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.18387E-01 ppm1 1.429 ppm2 4.606 CV 1 OR { 1356} ( segid B and resid 92 and name HB% ) (( segid B and resid 92 and name HA )) ASSI { 1358} (( segid A and resid 27 and name HB2 )) (( segid A and resid 26 and name HA )) 4.400 2.400 1.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.20681E-02 ppm1 2.427 ppm2 4.610 CV 1 OR { 1358} (( segid B and resid 27 and name HB2 )) (( segid B and resid 26 and name HA )) ASSI { 1360} ( segid A and resid 102 and name HB% ) (( segid A and resid 102 and name HA )) 2.200 0.600 0.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.13652E-01 ppm1 1.443 ppm2 4.611 CV 1 OR { 1360} ( segid B and resid 102 and name HB% ) (( segid B and resid 102 and name HA )) ASSI { 1362} ( segid B and resid 26 and name HB% ) (( segid B and resid 26 and name HA )) 1.900 0.500 0.500 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.23331E-01 ppm1 1.539 ppm2 4.612 CV 1 OR { 1362} ( segid A and resid 26 and name HB% ) (( segid A and resid 26 and name HA )) ASSI { 1364} ( segid A and resid 90 and name HD1%) (( segid A and resid 89 and name HA )) 3.400 1.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.15824E-02 ppm1 0.648 ppm2 4.613 CV 1 OR { 1364} ( segid B and resid 90 and name HD1%) (( segid B and resid 89 and name HA )) ASSI { 1365} ( segid A and resid 11 and name HE% ) (( segid A and resid 11 and name HA )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.31997E-02 ppm1 2.137 ppm2 4.613 CV 1 OR { 1365} ( segid B and resid 11 and name HE% ) (( segid B and resid 11 and name HA )) ASSI { 1366} ( segid A and resid 51 and name HG2%) (( segid A and resid 102 and name HA )) 3.000 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.22388E-02 ppm1 1.181 ppm2 4.614 CV 1 OR { 1366} ( segid B and resid 51 and name HG2%) (( segid B and resid 102 and name HA )) ASSI { 1367} (( segid B and resid 11 and name HB2 )) (( segid B and resid 11 and name HA )) 2.400 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.88879E-02 ppm1 2.190 ppm2 4.615 CV 1 OR { 1367} (( segid A and resid 11 and name HB2 )) (( segid A and resid 11 and name HA )) ASSI { 1368} (( segid B and resid 83 and name HG2 )) (( segid B and resid 83 and name HA )) 2.900 1.100 1.100 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.38002E-02 ppm1 1.912 ppm2 4.616 CV 1 OR { 1368} (( segid A and resid 83 and name HG2 )) (( segid A and resid 83 and name HA )) OR { 1368} (( segid B and resid 83 and name HG1 )) (( segid B and resid 83 and name HA )) OR { 1368} (( segid A and resid 83 and name HG1 )) (( segid A and resid 83 and name HA )) ASSI { 1371} (( segid A and resid 90 and name HG12)) (( segid A and resid 89 and name HA )) 3.500 1.500 1.500 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 1.473 ppm2 4.618 CV 1 OR { 1371} (( segid B and resid 90 and name HG12)) (( segid B and resid 89 and name HA )) ASSI { 1372} ( segid A and resid 90 and name HG2%) (( segid A and resid 89 and name HA )) 3.800 1.800 1.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.25854E-02 ppm1 0.930 ppm2 4.618 CV 1 OR { 1372} ( segid B and resid 90 and name HG2%) (( segid B and resid 89 and name HA )) ASSI { 1373} (( segid A and resid 83 and name HB1 )) (( segid A and resid 83 and name HA )) 2.400 0.700 0.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.52628E-02 ppm1 2.066 ppm2 4.631 CV 1 OR { 1373} (( segid B and resid 83 and name HB1 )) (( segid B and resid 83 and name HA )) ASSI { 1375} (( segid A and resid 90 and name HB )) (( segid A and resid 89 and name HA )) 3.600 1.600 1.600 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.16644E-02 ppm1 1.905 ppm2 4.633 CV 1 OR { 1375} (( segid B and resid 90 and name HB )) (( segid B and resid 89 and name HA )) ASSI { 1376} (( segid B and resid 89 and name HB1 )) (( segid B and resid 89 and name HA )) 2.800 1.000 1.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.38281E-02 ppm1 1.947 ppm2 4.636 CV 1 OR { 1376} (( segid A and resid 89 and name HB1 )) (( segid A and resid 89 and name HA )) ASSI { 1377} (( segid B and resid 89 and name HB2 )) (( segid B and resid 89 and name HA )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 2.071 ppm2 4.637 CV 1 OR { 1377} (( segid A and resid 89 and name HB2 )) (( segid A and resid 89 and name HA )) ASSI { 1379} (( segid A and resid 89 and name HG1 )) (( segid A and resid 89 and name HA )) 2.800 1.000 1.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.36292E-02 ppm1 2.048 ppm2 4.639 CV 1 OR { 1379} (( segid B and resid 89 and name HG1 )) (( segid B and resid 89 and name HA )) ASSI { 1380} (( segid B and resid 89 and name HG2 )) (( segid B and resid 89 and name HA )) 2.800 1.000 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.51065E-02 ppm1 2.309 ppm2 4.641 CV 1 OR { 1380} (( segid A and resid 89 and name HG2 )) (( segid A and resid 89 and name HA )) ASSI { 1382} ( segid B and resid 25 and name HB% ) (( segid B and resid 25 and name HA )) 2.400 0.700 0.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.72379E-02 ppm1 1.291 ppm2 4.665 CV 1 OR { 1382} ( segid A and resid 25 and name HB% ) (( segid A and resid 25 and name HA )) ASSI { 1383} (( segid A and resid 28 and name HB2 )) (( segid A and resid 28 and name HA )) 2.400 0.700 0.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.86833E-02 ppm1 2.977 ppm2 4.674 CV 1 OR { 1383} (( segid B and resid 28 and name HB2 )) (( segid B and resid 28 and name HA )) ASSI { 1384} (( segid B and resid 28 and name HB1 )) (( segid B and resid 28 and name HA )) 2.500 0.800 0.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.84218E-02 ppm1 2.649 ppm2 4.676 CV 1 OR { 1384} (( segid A and resid 28 and name HB1 )) (( segid A and resid 28 and name HA )) ASSI { 1386} ( segid A and resid 9 and name HG1%) (( segid A and resid 8 and name HA )) 2.900 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.60461E-02 ppm1 1.013 ppm2 4.690 CV 1 OR { 1386} (( segid B and resid 9 and name HG13)) (( segid B and resid 8 and name HA )) OR { 1386} (( segid B and resid 9 and name HG11)) (( segid B and resid 8 and name HA )) ASSI { 1387} (( segid A and resid 8 and name HB2 )) (( segid A and resid 8 and name HA )) 2.200 0.600 0.600 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.12565E-01 ppm1 2.795 ppm2 4.692 CV 1 OR { 1387} (( segid B and resid 8 and name HB2 )) (( segid B and resid 8 and name HA )) ASSI { 1388} (( segid B and resid 8 and name HB1 )) (( segid B and resid 8 and name HA )) 2.400 0.700 0.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.16805E-01 ppm1 2.698 ppm2 4.695 CV 1 OR { 1388} (( segid A and resid 8 and name HB1 )) (( segid A and resid 8 and name HA )) ASSI { 1389} ( segid A and resid 7 and name HB% ) (( segid A and resid 8 and name HA )) 2.400 2.400 3.600 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.24253E-01 ppm1 1.446 ppm2 4.700 CV 1 OR { 1389} (( segid B and resid 7 and name HB1 )) (( segid B and resid 8 and name HA )) OR { 1389} (( segid B and resid 7 and name HB3 )) (( segid B and resid 8 and name HA )) ASSI { 1396} (( segid B and resid 87 and name HA )) (( segid B and resid 86 and name HA )) 3.200 1.300 1.300 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.24429E-02 ppm1 4.194 ppm2 4.780 CV 1 OR { 1396} (( segid A and resid 87 and name HA )) (( segid A and resid 86 and name HA )) ASSI { 1403} ( segid A and resid 60 and name HG1%) (( segid A and resid 60 and name HA )) 2.600 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.61029E-02 ppm1 0.951 ppm2 4.828 CV 1 OR { 1403} ( segid B and resid 60 and name HG1%) (( segid B and resid 60 and name HA )) ASSI { 1404} (( segid A and resid 51 and name HB )) (( segid A and resid 51 and name HA )) 2.800 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20854E-02 ppm1 4.827 ppm2 4.837 CV 1 OR { 1404} (( segid B and resid 51 and name HB )) (( segid B and resid 51 and name HA )) ASSI { 1419} ( segid A and resid 17 and name HG2%) (( segid A and resid 95 and name HA )) 1.900 0.400 0.400 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.11243E-01 ppm1 0.956 ppm2 4.953 CV 1 OR { 1419} ( segid B and resid 17 and name HG2%) (( segid B and resid 95 and name HA )) ASSI { 1420} (( segid B and resid 501 and name H11')) (( segid B and resid 501 and name H12')) 2.500 2.500 3.500 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.18646E-02 ppm1 5.194 ppm2 5.024 CV 1 OR { 1420} (( segid A and resid 501 and name H11')) (( segid A and resid 501 and name H12')) ASSI { 1422} (( segid A and resid 501 and name H2' )) (( segid A and resid 501 and name H12')) 3.200 1.300 1.300 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 4.503 ppm2 5.032 CV 1 OR { 1422} (( segid B and resid 501 and name H2' )) (( segid B and resid 501 and name H12')) ASSI { 1424} (( segid B and resid 22 and name HB1 )) (( segid B and resid 23 and name HA )) 3.600 1.600 1.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.88520E-03 ppm1 1.636 ppm2 5.101 CV 1 OR { 1424} (( segid A and resid 22 and name HB1 )) (( segid A and resid 23 and name HA )) ASSI { 1425} (( segid B and resid 87 and name HB1 )) (( segid B and resid 23 and name HA )) 3.900 1.900 1.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 2.784 ppm2 5.101 CV 1 OR { 1425} (( segid A and resid 87 and name HB1 )) (( segid A and resid 23 and name HA )) ASSI { 1428} ( segid A and resid 88 and name HG1%) (( segid A and resid 23 and name HA )) 3.700 1.700 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.21069E-02 ppm1 0.130 ppm2 5.110 CV 1 OR { 1428} ( segid B and resid 88 and name HG1%) (( segid B and resid 23 and name HA )) ASSI { 1433} (( segid A and resid 88 and name HA )) (( segid A and resid 23 and name HA )) 3.600 1.600 1.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 3.693 ppm2 5.122 CV 1 OR { 1433} (( segid B and resid 88 and name HA )) (( segid B and resid 23 and name HA )) ASSI { 1435} (( segid A and resid 69 and name HD2 )) (( segid A and resid 68 and name HA )) 2.100 0.600 0.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.32835E-02 ppm1 3.415 ppm2 5.126 CV 1 OR { 1435} (( segid B and resid 69 and name HD2 )) (( segid B and resid 68 and name HA )) ASSI { 1438} ( segid A and resid 17 and name HG2%) (( segid A and resid 68 and name HA )) 3.600 1.600 1.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.43625E-02 ppm1 0.959 ppm2 5.129 CV 1 OR { 1438} ( segid B and resid 17 and name HG2%) (( segid B and resid 68 and name HA )) ASSI { 1445} ( segid B and resid 71 and name HB% ) (( segid B and resid 68 and name HA )) 3.500 1.500 1.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.16266E-02 ppm1 1.761 ppm2 5.156 CV 1 OR { 1445} ( segid A and resid 71 and name HB% ) (( segid A and resid 68 and name HA )) ASSI { 1451} (( segid B and resid 94 and name HG1 )) (( segid B and resid 17 and name HA )) 3.700 1.700 1.700 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.14528E-02 ppm1 2.285 ppm2 5.219 CV 1 OR { 1451} (( segid A and resid 94 and name HG1 )) (( segid A and resid 17 and name HA )) OR { 1451} (( segid B and resid 94 and name HG2 )) (( segid B and resid 17 and name HA )) OR { 1451} (( segid A and resid 94 and name HG2 )) (( segid A and resid 17 and name HA )) ASSI { 1458} (( segid B and resid 95 and name HB1 )) (( segid B and resid 17 and name HA )) 3.700 1.700 1.700 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 3.958 ppm2 5.247 CV 1 OR { 1458} (( segid A and resid 95 and name HB1 )) (( segid A and resid 17 and name HA )) OR { 1458} (( segid A and resid 95 and name HB2 )) (( segid A and resid 17 and name HA )) OR { 1458} (( segid B and resid 95 and name HB2 )) (( segid B and resid 17 and name HA )) ASSI { 1459} (( segid B and resid 93 and name HB1 )) (( segid B and resid 19 and name HA )) 3.400 1.400 1.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.37278E-02 ppm1 2.055 ppm2 5.263 CV 1 OR { 1459} (( segid A and resid 93 and name HB1 )) (( segid A and resid 19 and name HA )) ASSI { 1460} (( segid A and resid 93 and name HG2 )) (( segid A and resid 19 and name HA )) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.24916E-02 ppm1 2.237 ppm2 5.263 CV 1 OR { 1460} (( segid B and resid 93 and name HG2 )) (( segid B and resid 19 and name HA )) ASSI { 1461} (( segid A and resid 64 and name HB2 )) (( segid A and resid 54 and name HA )) 2.700 2.700 3.300 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.13941E-02 ppm1 2.974 ppm2 5.274 CV 1 OR { 1461} (( segid B and resid 64 and name HB1 )) (( segid B and resid 54 and name HA )) OR { 1461} (( segid A and resid 64 and name HB1 )) (( segid A and resid 54 and name HA )) ASSI { 1478} ( segid B and resid 65 and name HD2%) (( segid B and resid 64 and name HA )) 3.000 1.100 1.100 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.24529E-02 ppm1 0.992 ppm2 5.414 CV 1 OR { 1478} ( segid A and resid 65 and name HD2%) (( segid A and resid 64 and name HA )) ASSI { 1479} ( segid B and resid 90 and name HG2%) (( segid B and resid 21 and name HA )) 3.700 1.700 1.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20197E-02 ppm1 0.931 ppm2 5.431 CV 1 OR { 1479} ( segid A and resid 90 and name HG2%) (( segid A and resid 21 and name HA )) ASSI { 1481} ( segid B and resid 90 and name HD1%) (( segid B and resid 21 and name HA )) 2.500 2.500 3.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.22792E-02 ppm1 0.649 ppm2 5.474 CV 1 OR { 1481} ( segid A and resid 90 and name HD1%) (( segid A and resid 21 and name HA )) ASSI { 1484} (( segid A and resid 54 and name HA )) (( segid A and resid 63 and name HA )) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.11950E-02 ppm1 5.288 ppm2 5.505 CV 1 OR { 1484} (( segid B and resid 54 and name HA )) (( segid B and resid 63 and name HA )) ASSI { 1491} (( segid A and resid 62 and name HA )) (( segid A and resid 56 and name HA )) 2.900 2.900 3.100 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 5.287 ppm2 5.532 CV 1 OR { 1491} (( segid B and resid 62 and name HA )) (( segid B and resid 56 and name HA )) ASSI { 1494} ( segid B and resid 65 and name HD1%) (( segid B and resid 50 and name HA )) 2.900 2.900 3.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 0.918 ppm2 5.595 CV 1 OR { 1494} ( segid A and resid 65 and name HD1%) (( segid A and resid 50 and name HA )) ASSI { 1500} (( segid A and resid 23 and name HB2 )) (( segid A and resid 22 and name HA )) 3.900 1.900 1.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 3.860 ppm2 5.722 CV 1 OR { 1500} (( segid B and resid 23 and name HB2 )) (( segid B and resid 22 and name HA )) ASSI { 1504} ( segid B and resid 72 and name HG2%) (( segid B and resid 66 and name HA )) 3.200 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.27867E-02 ppm1 0.744 ppm2 5.869 CV 1 OR { 1504} ( segid A and resid 72 and name HG2%) (( segid A and resid 66 and name HA )) ASSI { 1512} ( segid B and resid 29 and name HD1%) ( segid B and resid 56 and name HE% ) 3.200 3.200 2.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.22359E-02 ppm1 0.904 ppm2 6.382 CV 1 OR { 1512} ( segid A and resid 29 and name HD1%) ( segid A and resid 56 and name HE% ) ASSI { 1518} ( segid A and resid 25 and name HB% ) ( segid A and resid 56 and name HD% ) 3.500 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.22878E-02 ppm1 1.289 ppm2 6.534 CV 1 OR { 1518} ( segid B and resid 25 and name HB% ) ( segid B and resid 56 and name HD% ) ASSI { 1520} ( segid A and resid 106 and name HE% ) ( segid A and resid 56 and name HD% ) 2.600 0.800 0.800 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 2.065 ppm2 6.539 CV 1 OR { 1520} ( segid B and resid 106 and name HE% ) ( segid B and resid 56 and name HD% ) ASSI { 1533} (( segid A and resid 21 and name HB1 )) ( segid A and resid 21 and name HE% ) 3.800 1.800 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.19361E-02 ppm1 2.450 ppm2 6.696 CV 1 OR { 1533} (( segid B and resid 21 and name HB1 )) ( segid B and resid 21 and name HE% ) ASSI { 1534} ( segid A and resid 88 and name HG1%) ( segid A and resid 21 and name HE% ) 3.700 1.700 1.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.34941E-02 ppm1 0.155 ppm2 6.698 CV 1 OR { 1534} ( segid B and resid 88 and name HG1%) ( segid B and resid 21 and name HE% ) ASSI { 1539} ( segid A and resid 90 and name HD1%) ( segid A and resid 21 and name HD% ) 3.200 1.300 1.300 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 0.656 ppm2 6.725 CV 1 OR { 1539} ( segid B and resid 90 and name HD1%) ( segid B and resid 21 and name HD% ) ASSI { 1540} (( segid B and resid 88 and name HA )) ( segid B and resid 21 and name HD% ) 3.100 1.200 1.200 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.10515E-02 ppm1 3.678 ppm2 6.727 CV 1 OR { 1540} (( segid A and resid 88 and name HA )) ( segid A and resid 21 and name HD% ) ASSI { 1544} ( segid B and resid 65 and name HD2%) ( segid B and resid 21 and name HD% ) 2.900 1.100 1.100 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.35517E-02 ppm1 0.977 ppm2 6.739 CV 1 OR { 1544} ( segid A and resid 65 and name HD2%) ( segid A and resid 21 and name HD% ) ASSI { 1546} (( segid A and resid 22 and name HD2 )) ( segid A and resid 21 and name HD% ) 3.800 1.800 1.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.12516E-02 ppm1 3.229 ppm2 6.745 CV 1 OR { 1546} (( segid B and resid 22 and name HD1 )) ( segid B and resid 21 and name HD% ) OR { 1546} (( segid A and resid 22 and name HD1 )) ( segid A and resid 21 and name HD% ) OR { 1546} (( segid B and resid 22 and name HD2 )) ( segid B and resid 21 and name HD% ) ASSI { 1555} ( segid A and resid 53 and name HB% ) (( segid A and resid 55 and name HZ )) 3.800 1.800 1.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.12247E-02 ppm1 0.639 ppm2 6.880 CV 1 OR { 1555} ( segid B and resid 53 and name HB% ) (( segid B and resid 55 and name HZ )) ASSI { 1557} ( segid B and resid 43 and name HB% ) (( segid B and resid 43 and name HN )) 2.300 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.11627E-01 ppm1 1.573 ppm2 6.908 CV 1 OR { 1557} ( segid A and resid 43 and name HB% ) (( segid A and resid 43 and name HN )) ASSI { 1563} (( segid B and resid 79 and name HB )) (( segid B and resid 81 and name HN )) 3.700 1.700 1.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.13116E-02 ppm1 1.489 ppm2 7.001 CV 1 OR { 1563} (( segid A and resid 79 and name HB )) (( segid A and resid 81 and name HN )) ASSI { 1564} (( segid A and resid 77 and name HA )) (( segid A and resid 81 and name HN )) 3.200 1.300 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.17390E-02 ppm1 4.110 ppm2 7.011 CV 1 OR { 1564} (( segid B and resid 77 and name HA )) (( segid B and resid 81 and name HN )) ASSI { 1565} (( segid A and resid 77 and name HB1 )) (( segid A and resid 81 and name HN )) 3.200 3.200 2.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.32208E-02 ppm1 3.857 ppm2 7.017 CV 1 OR { 1565} (( segid B and resid 77 and name HB1 )) (( segid B and resid 81 and name HN )) OR { 1565} (( segid A and resid 77 and name HB2 )) (( segid A and resid 81 and name HN )) OR { 1565} (( segid B and resid 77 and name HB2 )) (( segid B and resid 81 and name HN )) ASSI { 1567} (( segid A and resid 80 and name HG1 )) (( segid A and resid 81 and name HN )) 4.000 2.000 2.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.18817E-02 ppm1 2.047 ppm2 7.032 CV 1 OR { 1567} (( segid B and resid 80 and name HG1 )) (( segid B and resid 81 and name HN )) ASSI { 1568} (( segid B and resid 80 and name HG2 )) (( segid B and resid 81 and name HN )) 3.700 1.700 1.700 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.18453E-02 ppm1 2.347 ppm2 7.036 CV 1 OR { 1568} (( segid A and resid 80 and name HG2 )) (( segid A and resid 81 and name HN )) ASSI { 1569} (( segid A and resid 81 and name HD2 )) (( segid A and resid 81 and name HN )) 3.000 1.200 1.200 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.48070E-02 ppm1 3.238 ppm2 7.038 CV 1 OR { 1569} (( segid B and resid 81 and name HD2 )) (( segid B and resid 81 and name HN )) OR { 1569} (( segid A and resid 81 and name HD1 )) (( segid A and resid 81 and name HN )) OR { 1569} (( segid B and resid 81 and name HD1 )) (( segid B and resid 81 and name HN )) ASSI { 1573} (( segid B and resid 81 and name HA )) (( segid B and resid 81 and name HN )) 2.600 0.800 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.57515E-02 ppm1 4.516 ppm2 7.042 CV 1 OR { 1573} (( segid A and resid 81 and name HA )) (( segid A and resid 81 and name HN )) ASSI { 1576} (( segid A and resid 81 and name HB1 )) (( segid A and resid 81 and name HN )) 2.700 0.900 0.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.40824E-02 ppm1 1.838 ppm2 7.045 CV 1 OR { 1576} (( segid B and resid 81 and name HB1 )) (( segid B and resid 81 and name HN )) ASSI { 1577} ( segid B and resid 38 and name HG1%) (( segid B and resid 42 and name HE21)) 3.500 3.500 2.500 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.14714E-02 ppm1 1.200 ppm2 7.047 CV 1 OR { 1577} ( segid A and resid 38 and name HG1%) (( segid A and resid 42 and name HE21)) ASSI { 1582} ( segid B and resid 43 and name HB% ) (( segid B and resid 42 and name HE21)) 2.900 1.100 1.100 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.62585E-02 ppm1 1.578 ppm2 7.064 CV 1 OR { 1582} ( segid A and resid 43 and name HB% ) (( segid A and resid 42 and name HE21)) ASSI { 1586} ( segid A and resid 29 and name HD1%) (( segid A and resid 29 and name HN )) 3.400 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.32204E-02 ppm1 0.885 ppm2 7.116 CV 1 OR { 1586} ( segid B and resid 29 and name HD1%) (( segid B and resid 29 and name HN )) ASSI { 1589} (( segid A and resid 47 and name HD1 )) (( segid A and resid 44 and name HD2 )) 2.300 2.300 3.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.40479E-02 ppm1 3.289 ppm2 7.123 CV 1 OR { 1589} (( segid B and resid 47 and name HD2 )) (( segid B and resid 44 and name HD2 )) OR { 1589} (( segid A and resid 47 and name HD2 )) (( segid A and resid 44 and name HD2 )) OR { 1589} (( segid B and resid 47 and name HD1 )) (( segid B and resid 44 and name HD2 )) ASSI { 1603} ( segid B and resid 79 and name HG2%) (( segid B and resid 85 and name HE1 )) 2.600 0.800 0.800 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.77195E-02 ppm1 0.110 ppm2 7.183 CV 1 OR { 1603} ( segid A and resid 79 and name HG2%) (( segid A and resid 85 and name HE1 )) ASSI { 1607} (( segid A and resid 48 and name HA )) (( segid A and resid 47 and name HN )) 4.100 2.100 1.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.14832E-02 ppm1 4.361 ppm2 7.186 CV 1 OR { 1607} (( segid B and resid 48 and name HA )) (( segid B and resid 47 and name HN )) ASSI { 1612} ( segid A and resid 53 and name HB% ) ( segid A and resid 55 and name HE% ) 3.000 1.100 1.100 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.25789E-02 ppm1 0.633 ppm2 7.219 CV 1 OR { 1612} ( segid B and resid 53 and name HB% ) ( segid B and resid 55 and name HE% ) ASSI { 1614} ( segid B and resid 26 and name HB% ) ( segid B and resid 61 and name HE% ) 3.600 1.600 1.600 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.25446E-02 ppm1 1.545 ppm2 7.252 CV 1 OR { 1614} ( segid A and resid 26 and name HB% ) ( segid A and resid 61 and name HE% ) ASSI { 1617} ( segid A and resid 106 and name HE% ) ( segid A and resid 61 and name HE% ) 2.300 0.700 0.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.37897E-02 ppm1 2.070 ppm2 7.260 CV 1 OR { 1617} ( segid B and resid 106 and name HE% ) ( segid B and resid 61 and name HE% ) ASSI { 1623} (( segid B and resid 82 and name HA )) (( segid B and resid 82 and name HN )) 2.700 0.900 0.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.42271E-02 ppm1 4.482 ppm2 7.349 CV 1 OR { 1623} (( segid A and resid 82 and name HA )) (( segid A and resid 82 and name HN )) ASSI { 1624} (( segid A and resid 79 and name HA )) (( segid A and resid 82 and name HN )) 3.100 1.200 1.200 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.18948E-02 ppm1 3.618 ppm2 7.352 CV 1 OR { 1624} (( segid B and resid 79 and name HA )) (( segid B and resid 82 and name HN )) ASSI { 1625} (( segid B and resid 80 and name HA )) (( segid B and resid 82 and name HN )) 3.200 1.300 1.300 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 3.714 ppm2 7.352 CV 1 OR { 1625} (( segid A and resid 80 and name HA )) (( segid A and resid 82 and name HN )) ASSI { 1636} (( segid B and resid 98 and name HA )) (( segid B and resid 98 and name HN )) 2.400 0.700 0.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.33257E-02 ppm1 4.406 ppm2 7.383 CV 1 OR { 1636} (( segid A and resid 98 and name HA )) (( segid A and resid 98 and name HN )) ASSI { 1638} (( segid B and resid 68 and name HA )) (( segid B and resid 71 and name HN )) 3.400 1.500 1.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.15752E-02 ppm1 5.124 ppm2 7.401 CV 1 OR { 1638} (( segid A and resid 68 and name HA )) (( segid A and resid 71 and name HN )) ASSI { 1639} ( segid B and resid 72 and name HG2%) (( segid B and resid 71 and name HN )) 3.200 1.300 1.300 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.44064E-02 ppm1 0.739 ppm2 7.403 CV 1 OR { 1639} ( segid A and resid 72 and name HG2%) (( segid A and resid 71 and name HN )) ASSI { 1641} ( segid A and resid 70 and name HB% ) (( segid A and resid 68 and name HD2 )) 1.800 1.800 4.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.16218E-01 ppm1 1.644 ppm2 7.406 CV 1 OR { 1641} ( segid B and resid 70 and name HB% ) (( segid B and resid 68 and name HD2 )) ASSI { 1644} (( segid B and resid 69 and name HG2 )) (( segid B and resid 68 and name HD2 )) 3.800 1.800 1.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 1.972 ppm2 7.413 CV 1 OR { 1644} (( segid A and resid 69 and name HG2 )) (( segid A and resid 68 and name HD2 )) OR { 1644} (( segid A and resid 69 and name HG1 )) (( segid A and resid 68 and name HD2 )) OR { 1644} (( segid B and resid 69 and name HG1 )) (( segid B and resid 68 and name HD2 )) ASSI { 1647} (( segid B and resid 68 and name HB2 )) (( segid B and resid 68 and name HD2 )) 2.700 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.27475E-02 ppm1 3.385 ppm2 7.417 CV 1 OR { 1647} (( segid A and resid 68 and name HB2 )) (( segid A and resid 68 and name HD2 )) ASSI { 1655} (( segid B and resid 46 and name HA )) (( segid B and resid 49 and name HN )) 3.000 1.100 1.100 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.21139E-02 ppm1 4.334 ppm2 7.538 CV 1 OR { 1655} (( segid A and resid 46 and name HA )) (( segid A and resid 49 and name HN )) ASSI { 1659} (( segid A and resid 49 and name HG1 )) (( segid A and resid 49 and name HN )) 2.400 0.700 0.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.11335E-01 ppm1 2.338 ppm2 7.540 CV 1 OR { 1659} (( segid B and resid 49 and name HG2 )) (( segid B and resid 49 and name HN )) OR { 1659} (( segid A and resid 49 and name HG2 )) (( segid A and resid 49 and name HN )) OR { 1659} (( segid B and resid 49 and name HG1 )) (( segid B and resid 49 and name HN )) ASSI { 1663} ( segid B and resid 75 and name HG2%) (( segid B and resid 75 and name HN )) 2.700 0.900 0.900 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.46118E-02 ppm1 0.898 ppm2 7.658 CV 1 OR { 1663} ( segid A and resid 75 and name HG2%) (( segid A and resid 75 and name HN )) ASSI { 1664} (( segid B and resid 75 and name HB )) (( segid B and resid 75 and name HN )) 2.200 0.600 0.600 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.65403E-02 ppm1 2.040 ppm2 7.661 CV 1 OR { 1664} (( segid A and resid 75 and name HB )) (( segid A and resid 75 and name HN )) ASSI { 1666} (( segid A and resid 31 and name HB1 )) (( segid A and resid 34 and name HN )) 3.400 1.400 1.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.15447E-02 ppm1 1.516 ppm2 7.662 CV 1 OR { 1666} (( segid B and resid 31 and name HB1 )) (( segid B and resid 34 and name HN )) ASSI { 1667} (( segid A and resid 33 and name HB2 )) (( segid A and resid 34 and name HN )) 3.400 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.23288E-02 ppm1 3.189 ppm2 7.662 CV 1 OR { 1667} (( segid B and resid 33 and name HB2 )) (( segid B and resid 34 and name HN )) ASSI { 1668} ( segid B and resid 75 and name HG1%) (( segid B and resid 75 and name HN )) 3.100 1.200 1.200 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.74586E-02 ppm1 0.972 ppm2 7.662 CV 1 OR { 1668} ( segid A and resid 75 and name HG1%) (( segid A and resid 75 and name HN )) ASSI { 1669} (( segid A and resid 31 and name HB2 )) (( segid A and resid 34 and name HN )) 3.700 1.700 1.700 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 1.856 ppm2 7.665 CV 1 OR { 1669} (( segid B and resid 31 and name HB2 )) (( segid B and resid 34 and name HN )) ASSI { 1673} (( segid A and resid 118 and name HB2 )) (( segid A and resid 120 and name HN )) 3.400 1.500 1.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.27329E-02 ppm1 1.540 ppm2 7.704 CV 1 OR { 1673} (( segid B and resid 118 and name HB2 )) (( segid B and resid 120 and name HN )) OR { 1673} (( segid A and resid 118 and name HB1 )) (( segid A and resid 120 and name HN )) OR { 1673} (( segid B and resid 118 and name HB1 )) (( segid B and resid 120 and name HN )) ASSI { 1677} ( segid B and resid 106 and name HE% ) ( segid B and resid 61 and name HD% ) 2.500 2.500 3.500 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.21466E-02 ppm1 2.069 ppm2 7.712 CV 1 OR { 1677} ( segid A and resid 106 and name HE% ) ( segid A and resid 61 and name HD% ) ASSI { 1678} (( segid B and resid 70 and name HA )) (( segid B and resid 74 and name HN )) 3.300 1.400 1.400 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.26250E-02 ppm1 4.329 ppm2 7.713 CV 1 OR { 1678} (( segid A and resid 70 and name HA )) (( segid A and resid 74 and name HN )) ASSI { 1687} ( segid A and resid 60 and name HG1%) (( segid A and resid 60 and name HN )) 2.600 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.63895E-02 ppm1 0.953 ppm2 7.722 CV 1 OR { 1687} ( segid B and resid 60 and name HG1%) (( segid B and resid 60 and name HN )) ASSI { 1688} (( segid B and resid 74 and name HA )) (( segid B and resid 74 and name HN )) 2.300 0.700 0.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.86976E-02 ppm1 4.007 ppm2 7.722 CV 1 OR { 1688} (( segid A and resid 74 and name HA )) (( segid A and resid 74 and name HN )) ASSI { 1691} ( segid A and resid 71 and name HB% ) (( segid A and resid 74 and name HN )) 3.500 1.500 1.500 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.25387E-02 ppm1 1.757 ppm2 7.722 CV 1 OR { 1691} ( segid B and resid 71 and name HB% ) (( segid B and resid 74 and name HN )) ASSI { 1692} ( segid B and resid 73 and name HB% ) (( segid B and resid 74 and name HN )) 2.000 0.500 0.500 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.18151E-01 ppm1 1.489 ppm2 7.722 CV 1 OR { 1692} ( segid A and resid 73 and name HB% ) (( segid A and resid 74 and name HN )) ASSI { 1697} (( segid A and resid 73 and name HA )) (( segid A and resid 74 and name HN )) 3.100 1.200 1.200 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.32981E-02 ppm1 4.016 ppm2 7.728 CV 1 OR { 1697} (( segid B and resid 73 and name HA )) (( segid B and resid 74 and name HN )) ASSI { 1699} (( segid A and resid 60 and name HB )) (( segid A and resid 60 and name HN )) 3.500 1.500 1.500 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.14505E-02 ppm1 2.153 ppm2 7.744 CV 1 OR { 1699} (( segid B and resid 60 and name HB )) (( segid B and resid 60 and name HN )) ASSI { 1702} (( segid A and resid 32 and name HA )) (( segid A and resid 33 and name HN )) 3.200 1.300 1.300 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.12846E-02 ppm1 3.972 ppm2 7.754 CV 1 OR { 1702} (( segid B and resid 32 and name HA )) (( segid B and resid 33 and name HN )) ASSI { 1703} (( segid B and resid 40 and name HB )) (( segid B and resid 41 and name HN )) 3.400 1.400 1.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.19028E-02 ppm1 4.035 ppm2 7.757 CV 1 OR { 1703} (( segid A and resid 40 and name HB )) (( segid A and resid 41 and name HN )) ASSI { 1704} (( segid A and resid 40 and name HA )) (( segid A and resid 41 and name HN )) 3.300 1.400 1.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 4.014 ppm2 7.769 CV 1 OR { 1704} (( segid B and resid 40 and name HA )) (( segid B and resid 41 and name HN )) ASSI { 1705} (( segid A and resid 59 and name HA2 )) (( segid A and resid 60 and name HN )) 3.600 1.600 1.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 4.262 ppm2 7.773 CV 1 OR { 1705} (( segid B and resid 59 and name HA2 )) (( segid B and resid 60 and name HN )) ASSI { 1706} ( segid A and resid 40 and name HG2%) (( segid A and resid 41 and name HN )) 2.800 1.000 1.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.28951E-02 ppm1 1.299 ppm2 7.778 CV 1 OR { 1706} ( segid B and resid 40 and name HG2%) (( segid B and resid 41 and name HN )) ASSI { 1710} (( segid B and resid 41 and name HA )) (( segid B and resid 41 and name HN )) 3.200 1.300 1.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.13367E-02 ppm1 3.580 ppm2 7.794 CV 1 OR { 1710} (( segid A and resid 41 and name HA )) (( segid A and resid 41 and name HN )) ASSI { 1717} (( segid B and resid 96 and name HB )) (( segid B and resid 96 and name HN )) 3.100 1.200 1.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 1.969 ppm2 7.844 CV 1 OR { 1717} (( segid A and resid 96 and name HB )) (( segid A and resid 96 and name HN )) ASSI { 1718} (( segid A and resid 95 and name HB2 )) (( segid A and resid 96 and name HN )) 2.900 1.000 1.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.62585E-02 ppm1 3.973 ppm2 7.845 CV 1 OR { 1718} (( segid B and resid 95 and name HB2 )) (( segid B and resid 96 and name HN )) OR { 1718} (( segid A and resid 95 and name HB1 )) (( segid A and resid 96 and name HN )) OR { 1718} (( segid B and resid 95 and name HB1 )) (( segid B and resid 96 and name HN )) ASSI { 1722} ( segid A and resid 17 and name HG2%) (( segid A and resid 96 and name HN )) 3.300 1.300 1.300 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.56325E-02 ppm1 0.953 ppm2 7.848 CV 1 OR { 1722} ( segid B and resid 17 and name HG2%) (( segid B and resid 96 and name HN )) ASSI { 1730} ( segid B and resid 48 and name HB% ) (( segid B and resid 44 and name HE1 )) 3.400 1.400 1.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.20722E-02 ppm1 1.126 ppm2 7.891 CV 1 OR { 1730} ( segid A and resid 48 and name HB% ) (( segid A and resid 44 and name HE1 )) ASSI { 1742} (( segid A and resid 53 and name HA )) (( segid A and resid 53 and name HN )) 3.300 1.400 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 4.176 ppm2 7.962 CV 1 OR { 1742} (( segid B and resid 53 and name HA )) (( segid B and resid 53 and name HN )) ASSI { 1745} (( segid A and resid 69 and name HG2 )) (( segid A and resid 68 and name HE1 )) 3.300 1.400 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 1.980 ppm2 7.982 CV 1 OR { 1745} (( segid B and resid 69 and name HG2 )) (( segid B and resid 68 and name HE1 )) OR { 1745} (( segid A and resid 69 and name HG1 )) (( segid A and resid 68 and name HE1 )) OR { 1745} (( segid B and resid 69 and name HG1 )) (( segid B and resid 68 and name HE1 )) ASSI { 1751} (( segid A and resid 501 and name H11')) (( segid A and resid 501 and name H9 )) 3.300 1.300 1.300 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.15507E-02 ppm1 5.185 ppm2 8.013 CV 1 OR { 1751} (( segid B and resid 501 and name H11')) (( segid B and resid 501 and name H9 )) ASSI { 1752} (( segid A and resid 501 and name H12')) (( segid A and resid 501 and name H9 )) 3.300 1.400 1.400 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 5.011 ppm2 8.014 CV 1 OR { 1752} (( segid B and resid 501 and name H12')) (( segid B and resid 501 and name H9 )) ASSI { 1754} (( segid A and resid 501 and name H2' )) (( segid A and resid 501 and name H9 )) 3.400 1.400 1.400 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.11045E-02 ppm1 4.496 ppm2 8.016 CV 1 OR { 1754} (( segid B and resid 501 and name H2' )) (( segid B and resid 501 and name H9 )) ASSI { 1758} (( segid A and resid 40 and name HB )) (( segid A and resid 40 and name HN )) 2.700 0.900 0.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.24825E-02 ppm1 4.028 ppm2 8.039 CV 1 OR { 1758} (( segid B and resid 40 and name HB )) (( segid B and resid 40 and name HN )) ASSI { 1759} (( segid A and resid 40 and name HA )) (( segid A and resid 40 and name HN )) 2.900 1.000 1.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.26983E-02 ppm1 4.024 ppm2 8.055 CV 1 OR { 1759} (( segid B and resid 40 and name HA )) (( segid B and resid 40 and name HN )) ASSI { 1767} (( segid B and resid 15 and name HB1 )) (( segid B and resid 16 and name HN )) 3.300 1.400 1.400 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.34868E-02 ppm1 2.630 ppm2 8.080 CV 1 OR { 1767} (( segid A and resid 15 and name HB1 )) (( segid A and resid 16 and name HN )) ASSI { 1768} (( segid B and resid 15 and name HB2 )) (( segid B and resid 16 and name HN )) 3.200 1.200 1.200 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.46137E-02 ppm1 2.707 ppm2 8.081 CV 1 OR { 1768} (( segid A and resid 15 and name HB2 )) (( segid A and resid 16 and name HN )) ASSI { 1770} (( segid A and resid 8 and name HB2 )) (( segid A and resid 9 and name HN )) 3.800 1.800 1.800 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.17233E-02 ppm1 2.789 ppm2 8.086 CV 1 OR { 1770} (( segid B and resid 8 and name HB2 )) (( segid B and resid 9 and name HN )) ASSI { 1772} (( segid A and resid 9 and name HB )) (( segid A and resid 9 and name HN )) 3.100 1.200 1.200 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.44573E-02 ppm1 2.244 ppm2 8.093 CV 1 OR { 1772} (( segid B and resid 9 and name HB )) (( segid B and resid 9 and name HN )) ASSI { 1774} (( segid A and resid 7 and name HA )) (( segid A and resid 7 and name HN )) 2.400 0.700 0.700 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.63381E-02 ppm1 4.346 ppm2 8.100 CV 1 OR { 1774} (( segid B and resid 7 and name HA )) (( segid B and resid 7 and name HN )) ASSI { 1778} (( segid A and resid 44 and name HB1 )) (( segid A and resid 48 and name HN )) 3.500 1.600 1.600 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 3.188 ppm2 8.148 CV 1 OR { 1778} (( segid B and resid 44 and name HB1 )) (( segid B and resid 48 and name HN )) ASSI { 1786} (( segid B and resid 47 and name HA )) (( segid B and resid 48 and name HN )) 3.000 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.25624E-02 ppm1 4.146 ppm2 8.180 CV 1 OR { 1786} (( segid A and resid 47 and name HA )) (( segid A and resid 48 and name HN )) ASSI { 1787} (( segid B and resid 47 and name HG1 )) (( segid B and resid 48 and name HN )) 3.200 1.300 1.300 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.23085E-02 ppm1 1.718 ppm2 8.182 CV 1 OR { 1787} (( segid A and resid 47 and name HG1 )) (( segid A and resid 48 and name HN )) OR { 1787} (( segid B and resid 47 and name HG2 )) (( segid B and resid 48 and name HN )) OR { 1787} (( segid A and resid 47 and name HG2 )) (( segid A and resid 48 and name HN )) ASSI { 1790} (( segid B and resid 31 and name HA )) (( segid B and resid 32 and name HN )) 3.300 1.400 1.400 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 4.037 ppm2 8.197 CV 1 OR { 1790} (( segid A and resid 31 and name HA )) (( segid A and resid 32 and name HN )) ASSI { 1791} ( segid B and resid 43 and name HB% ) (( segid B and resid 44 and name HN )) 2.600 0.900 0.900 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.50427E-02 ppm1 1.575 ppm2 8.197 CV 1 OR { 1791} ( segid A and resid 43 and name HB% ) (( segid A and resid 44 and name HN )) ASSI { 1816} (( segid B and resid 29 and name HA )) (( segid B and resid 28 and name HN )) 3.800 1.800 1.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 4.358 ppm2 8.295 CV 1 OR { 1816} (( segid A and resid 29 and name HA )) (( segid A and resid 28 and name HN )) ASSI { 1828} (( segid A and resid 15 and name HA )) (( segid A and resid 15 and name HN )) 2.700 0.900 0.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.44420E-02 ppm1 4.588 ppm2 8.315 CV 1 OR { 1828} (( segid B and resid 15 and name HA )) (( segid B and resid 15 and name HN )) ASSI { 1833} ( segid B and resid 70 and name HB% ) (( segid B and resid 72 and name HN )) 3.500 1.500 1.500 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 1.644 ppm2 8.361 CV 1 OR { 1833} ( segid A and resid 70 and name HB% ) (( segid A and resid 72 and name HN )) ASSI { 1834} (( segid B and resid 69 and name HA )) (( segid B and resid 72 and name HN )) 3.300 1.300 1.300 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.23118E-02 ppm1 4.120 ppm2 8.362 CV 1 OR { 1834} (( segid A and resid 69 and name HA )) (( segid A and resid 72 and name HN )) ASSI { 1837} ( segid A and resid 71 and name HB% ) (( segid A and resid 72 and name HN )) 2.200 0.600 0.600 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.83895E-02 ppm1 1.761 ppm2 8.365 CV 1 OR { 1837} ( segid B and resid 71 and name HB% ) (( segid B and resid 72 and name HN )) ASSI { 1839} (( segid B and resid 71 and name HA )) (( segid B and resid 72 and name HN )) 3.000 1.100 1.100 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.26600E-02 ppm1 4.421 ppm2 8.373 CV 1 OR { 1839} (( segid A and resid 71 and name HA )) (( segid A and resid 72 and name HN )) ASSI { 1847} (( segid B and resid 80 and name HG2 )) (( segid B and resid 80 and name HN )) 2.100 0.600 0.600 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.67485E-02 ppm1 2.328 ppm2 8.385 CV 1 OR { 1847} (( segid A and resid 80 and name HG2 )) (( segid A and resid 80 and name HN )) ASSI { 1850} (( segid B and resid 80 and name HG1 )) (( segid B and resid 80 and name HN )) 3.000 1.100 1.100 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.45282E-02 ppm1 2.041 ppm2 8.387 CV 1 OR { 1850} (( segid A and resid 80 and name HG1 )) (( segid A and resid 80 and name HN )) ASSI { 1852} ( segid B and resid 79 and name HG2%) (( segid B and resid 80 and name HN )) 3.300 1.400 1.400 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.34671E-02 ppm1 0.109 ppm2 8.387 CV 1 OR { 1852} ( segid A and resid 79 and name HG2%) (( segid A and resid 80 and name HN )) ASSI { 1854} ( segid A and resid 79 and name HD1%) (( segid A and resid 21 and name HH )) 2.900 1.100 1.100 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.25012E-02 ppm1 0.171 ppm2 8.391 CV 1 OR { 1854} ( segid B and resid 79 and name HD1%) (( segid B and resid 21 and name HH )) ASSI { 1866} (( segid A and resid 76 and name HA )) (( segid A and resid 80 and name HN )) 2.800 0.900 0.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 4.365 ppm2 8.431 CV 1 OR { 1866} (( segid B and resid 76 and name HA )) (( segid B and resid 80 and name HN )) ASSI { 1871} (( segid B and resid 76 and name HB1 )) (( segid B and resid 80 and name HN )) 3.500 1.500 1.500 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 1.776 ppm2 8.435 CV 1 OR { 1871} (( segid A and resid 76 and name HB1 )) (( segid A and resid 80 and name HN )) ASSI { 1876} ( segid A and resid 76 and name HE% ) (( segid A and resid 76 and name HN )) 3.400 1.500 1.500 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.24373E-02 ppm1 1.359 ppm2 8.446 CV 1 OR { 1876} ( segid B and resid 76 and name HE% ) (( segid B and resid 76 and name HN )) ASSI { 1879} ( segid A and resid 75 and name HG1%) (( segid A and resid 76 and name HN )) 2.400 0.700 0.700 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.73581E-02 ppm1 0.965 ppm2 8.450 CV 1 OR { 1879} ( segid B and resid 75 and name HG1%) (( segid B and resid 76 and name HN )) ASSI { 1880} (( segid A and resid 76 and name HB2 )) (( segid A and resid 80 and name HN )) 3.600 1.700 1.700 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.27867E-02 ppm1 2.106 ppm2 8.451 CV 1 OR { 1880} (( segid B and resid 76 and name HB2 )) (( segid B and resid 80 and name HN )) ASSI { 1881} (( segid B and resid 35 and name HA )) (( segid B and resid 38 and name HN )) 3.200 1.300 1.300 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 4.048 ppm2 8.470 CV 1 OR { 1881} (( segid A and resid 35 and name HA )) (( segid A and resid 38 and name HN )) ASSI { 1886} (( segid A and resid 98 and name HB1 )) (( segid A and resid 99 and name HN )) 2.300 0.700 0.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.40586E-02 ppm1 1.714 ppm2 8.482 CV 1 OR { 1886} (( segid B and resid 98 and name HB1 )) (( segid B and resid 99 and name HN )) ASSI { 1888} (( segid B and resid 98 and name HD2 )) (( segid B and resid 99 and name HN )) 3.200 1.300 1.300 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16555E-02 ppm1 1.690 ppm2 8.483 CV 1 OR { 1888} (( segid A and resid 98 and name HD2 )) (( segid A and resid 99 and name HN )) OR { 1888} (( segid A and resid 98 and name HD1 )) (( segid A and resid 99 and name HN )) OR { 1888} (( segid B and resid 98 and name HD1 )) (( segid B and resid 99 and name HN )) ASSI { 1891} (( segid A and resid 98 and name HG1 )) (( segid A and resid 99 and name HN )) 3.400 1.400 1.400 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 1.321 ppm2 8.494 CV 1 OR { 1891} (( segid B and resid 98 and name HG1 )) (( segid B and resid 99 and name HN )) ASSI { 1896} (( segid B and resid 35 and name HG )) (( segid B and resid 36 and name HN )) 3.700 1.800 1.800 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 1.901 ppm2 8.561 CV 1 OR { 1896} (( segid A and resid 35 and name HG )) (( segid A and resid 36 and name HN )) ASSI { 1899} ( segid B and resid 97 and name HB% ) (( segid B and resid 97 and name HN )) 2.400 0.700 0.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.66779E-02 ppm1 1.477 ppm2 8.572 CV 1 OR { 1899} ( segid A and resid 97 and name HB% ) (( segid A and resid 97 and name HN )) ASSI { 1918} (( segid B and resid 89 and name HG2 )) (( segid B and resid 90 and name HN )) 3.400 1.500 1.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.21696E-02 ppm1 2.317 ppm2 8.700 CV 1 OR { 1918} (( segid A and resid 89 and name HG2 )) (( segid A and resid 90 and name HN )) ASSI { 1919} (( segid A and resid 22 and name HD2 )) (( segid A and resid 22 and name HN )) 3.600 1.600 1.600 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.20306E-02 ppm1 3.244 ppm2 8.705 CV 1 OR { 1919} (( segid B and resid 22 and name HD1 )) (( segid B and resid 22 and name HN )) OR { 1919} (( segid A and resid 22 and name HD1 )) (( segid A and resid 22 and name HN )) OR { 1919} (( segid B and resid 22 and name HD2 )) (( segid B and resid 22 and name HN )) ASSI { 1921} ( segid A and resid 90 and name HD1%) (( segid A and resid 90 and name HN )) 2.700 0.900 0.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.50512E-02 ppm1 0.650 ppm2 8.708 CV 1 OR { 1921} ( segid B and resid 90 and name HD1%) (( segid B and resid 90 and name HN )) ASSI { 1923} ( segid B and resid 88 and name HG2%) (( segid B and resid 90 and name HN )) 3.200 1.300 1.300 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 0.226 ppm2 8.711 CV 1 OR { 1923} ( segid A and resid 88 and name HG2%) (( segid A and resid 90 and name HN )) ASSI { 1927} ( segid A and resid 90 and name HG2%) (( segid A and resid 90 and name HN )) 3.100 1.200 1.200 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.65092E-02 ppm1 0.931 ppm2 8.715 CV 1 OR { 1927} ( segid B and resid 90 and name HG2%) (( segid B and resid 90 and name HN )) ASSI { 1929} (( segid A and resid 89 and name HG1 )) (( segid A and resid 90 and name HN )) 3.300 1.400 1.400 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 2.052 ppm2 8.719 CV 1 OR { 1929} (( segid B and resid 89 and name HG1 )) (( segid B and resid 90 and name HN )) ASSI { 1930} (( segid A and resid 64 and name HA )) (( segid A and resid 21 and name HN )) 3.100 1.200 1.200 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 5.405 ppm2 8.724 CV 1 OR { 1930} (( segid B and resid 64 and name HA )) (( segid B and resid 21 and name HN )) ASSI { 1931} (( segid B and resid 93 and name HA )) (( segid B and resid 20 and name HN )) 3.000 1.100 1.100 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.48777E-02 ppm1 5.195 ppm2 8.729 CV 1 OR { 1931} (( segid A and resid 93 and name HA )) (( segid A and resid 20 and name HN )) ASSI { 1932} (( segid B and resid 93 and name HB1 )) (( segid B and resid 20 and name HN )) 3.900 1.900 1.900 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.24814E-02 ppm1 2.060 ppm2 8.734 CV 1 OR { 1932} (( segid A and resid 93 and name HB1 )) (( segid A and resid 20 and name HN )) ASSI { 1934} (( segid B and resid 20 and name HA )) (( segid B and resid 20 and name HN )) 2.500 0.800 0.800 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.38864E-02 ppm1 5.883 ppm2 8.736 CV 1 OR { 1934} (( segid A and resid 20 and name HA )) (( segid A and resid 20 and name HN )) ASSI { 1935} (( segid A and resid 20 and name HB1 )) (( segid A and resid 20 and name HN )) 3.000 1.100 1.100 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.19896E-02 ppm1 2.347 ppm2 8.737 CV 1 OR { 1935} (( segid B and resid 20 and name HB1 )) (( segid B and resid 20 and name HN )) OR { 1935} (( segid A and resid 20 and name HB2 )) (( segid A and resid 20 and name HN )) OR { 1935} (( segid B and resid 20 and name HB2 )) (( segid B and resid 20 and name HN )) ASSI { 1936} (( segid B and resid 93 and name HG2 )) (( segid B and resid 20 and name HN )) 3.300 1.400 1.400 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.20414E-02 ppm1 2.231 ppm2 8.738 CV 1 OR { 1936} (( segid A and resid 93 and name HG2 )) (( segid A and resid 20 and name HN )) ASSI { 1940} (( segid A and resid 93 and name HG1 )) (( segid A and resid 20 and name HN )) 3.300 1.400 1.400 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 2.172 ppm2 8.742 CV 1 OR { 1940} (( segid B and resid 93 and name HG1 )) (( segid B and resid 20 and name HN )) ASSI { 1941} ( segid A and resid 92 and name HB% ) (( segid A and resid 20 and name HN )) 2.800 1.000 1.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.27724E-02 ppm1 1.427 ppm2 8.743 CV 1 OR { 1941} ( segid B and resid 92 and name HB% ) (( segid B and resid 20 and name HN )) ASSI { 1944} (( segid B and resid 19 and name HB2 )) (( segid B and resid 20 and name HN )) 3.900 1.900 1.900 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.14734E-02 ppm1 2.968 ppm2 8.756 CV 1 OR { 1944} (( segid A and resid 19 and name HB2 )) (( segid A and resid 20 and name HN )) ASSI { 1951} ( segid B and resid 17 and name HG2%) (( segid B and resid 95 and name HN )) 3.100 1.200 1.200 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.41548E-02 ppm1 0.962 ppm2 8.788 CV 1 OR { 1951} ( segid A and resid 17 and name HG2%) (( segid A and resid 95 and name HN )) ASSI { 1952} (( segid B and resid 102 and name HA )) (( segid B and resid 51 and name HN )) 2.800 2.800 3.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 4.614 ppm2 8.807 CV 1 OR { 1952} (( segid A and resid 102 and name HA )) (( segid A and resid 51 and name HN )) ASSI { 1954} (( segid A and resid 38 and name HB )) (( segid A and resid 39 and name HN )) 3.100 1.200 1.200 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 2.383 ppm2 8.823 CV 1 OR { 1954} (( segid B and resid 38 and name HB )) (( segid B and resid 39 and name HN )) ASSI { 1958} (( segid B and resid 87 and name HB1 )) (( segid B and resid 24 and name HN )) 3.900 1.900 1.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 2.757 ppm2 8.835 CV 1 OR { 1958} (( segid A and resid 87 and name HB1 )) (( segid A and resid 24 and name HN )) ASSI { 1961} (( segid B and resid 24 and name HA )) (( segid B and resid 24 and name HN )) 3.000 1.100 1.100 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.14231E-02 ppm1 5.116 ppm2 8.847 CV 1 OR { 1961} (( segid A and resid 24 and name HA )) (( segid A and resid 24 and name HN )) ASSI { 1962} (( segid A and resid 87 and name HB2 )) (( segid A and resid 24 and name HN )) 3.100 1.200 1.200 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 3.076 ppm2 8.855 CV 1 OR { 1962} (( segid B and resid 87 and name HB2 )) (( segid B and resid 24 and name HN )) ASSI { 1968} ( segid B and resid 88 and name HG1%) (( segid B and resid 87 and name HN )) 3.200 1.300 1.300 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.21857E-02 ppm1 0.134 ppm2 8.897 CV 1 OR { 1968} ( segid A and resid 88 and name HG1%) (( segid A and resid 87 and name HN )) ASSI { 1969} ( segid B and resid 30 and name HG2%) (( segid B and resid 31 and name HN )) 3.400 1.400 1.400 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.26247E-02 ppm1 1.466 ppm2 8.898 CV 1 OR { 1969} ( segid A and resid 30 and name HG2%) (( segid A and resid 31 and name HN )) ASSI { 1977} (( segid A and resid 46 and name HA )) (( segid A and resid 50 and name HN )) 3.300 1.300 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.15155E-02 ppm1 4.346 ppm2 8.992 CV 1 OR { 1977} (( segid B and resid 46 and name HA )) (( segid B and resid 50 and name HN )) ASSI { 1978} (( segid B and resid 50 and name HA )) (( segid B and resid 50 and name HN )) 3.200 1.200 1.200 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.13358E-02 ppm1 5.602 ppm2 8.996 CV 1 OR { 1978} (( segid A and resid 50 and name HA )) (( segid A and resid 50 and name HN )) ASSI { 1980} ( segid A and resid 96 and name HG2%) (( segid A and resid 18 and name HN )) 3.000 1.100 1.100 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.21834E-02 ppm1 1.044 ppm2 9.014 CV 1 OR { 1980} ( segid B and resid 96 and name HG2%) (( segid B and resid 18 and name HN )) ASSI { 1981} (( segid B and resid 50 and name HB1 )) (( segid B and resid 50 and name HN )) 3.200 1.300 1.300 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 1.598 ppm2 9.015 CV 1 OR { 1981} (( segid A and resid 50 and name HB2 )) (( segid A and resid 50 and name HN )) OR { 1981} (( segid B and resid 50 and name HB2 )) (( segid B and resid 50 and name HN )) OR { 1981} (( segid A and resid 50 and name HB1 )) (( segid A and resid 50 and name HN )) ASSI { 1984} ( segid A and resid 17 and name HG2%) (( segid A and resid 18 and name HN )) 3.200 1.300 1.300 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.58317E-02 ppm1 0.954 ppm2 9.021 CV 1 OR { 1984} ( segid B and resid 17 and name HG2%) (( segid B and resid 18 and name HN )) ASSI { 1988} (( segid B and resid 45 and name HA )) (( segid B and resid 45 and name HN )) 3.000 1.100 1.100 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 4.148 ppm2 9.037 CV 1 OR { 1988} (( segid A and resid 45 and name HA )) (( segid A and resid 45 and name HN )) ASSI { 1990} (( segid A and resid 44 and name HA )) (( segid A and resid 45 and name HN )) 3.400 1.500 1.500 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.12720E-02 ppm1 4.213 ppm2 9.053 CV 1 OR { 1990} (( segid B and resid 44 and name HA )) (( segid B and resid 45 and name HN )) ASSI { 1991} (( segid A and resid 95 and name HB1 )) (( segid A and resid 18 and name HN )) 4.300 2.300 1.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 3.969 ppm2 9.056 CV 1 OR { 1991} (( segid B and resid 95 and name HB1 )) (( segid B and resid 18 and name HN )) OR { 1991} (( segid A and resid 95 and name HB2 )) (( segid A and resid 18 and name HN )) OR { 1991} (( segid B and resid 95 and name HB2 )) (( segid B and resid 18 and name HN )) ASSI { 1992} (( segid A and resid 44 and name HB1 )) (( segid A and resid 45 and name HN )) 3.000 1.100 1.100 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.14509E-02 ppm1 3.183 ppm2 9.057 CV 1 OR { 1992} (( segid B and resid 44 and name HB1 )) (( segid B and resid 45 and name HN )) ASSI { 1995} (( segid B and resid 17 and name HB )) (( segid B and resid 17 and name HN )) 2.500 0.800 0.800 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.24145E-02 ppm1 2.181 ppm2 9.085 CV 1 OR { 1995} (( segid A and resid 17 and name HB )) (( segid A and resid 17 and name HN )) ASSI { 1996} (( segid A and resid 96 and name HA )) (( segid A and resid 17 and name HN )) 3.700 3.700 2.300 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 4.847 ppm2 9.095 CV 1 OR { 1996} (( segid B and resid 96 and name HA )) (( segid B and resid 17 and name HN )) ASSI { 2002} ( segid A and resid 16 and name HD1%) (( segid A and resid 17 and name HN )) 3.300 1.300 1.300 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.49427E-02 ppm1 0.763 ppm2 9.117 CV 1 OR { 2002} ( segid B and resid 16 and name HD1%) (( segid B and resid 17 and name HN )) ASSI { 2004} (( segid B and resid 29 and name HA )) (( segid B and resid 30 and name HN )) 2.700 0.900 0.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.42966E-02 ppm1 4.370 ppm2 9.250 CV 1 OR { 2004} (( segid A and resid 29 and name HA )) (( segid A and resid 30 and name HN )) ASSI { 2005} ( segid B and resid 30 and name HG2%) (( segid B and resid 30 and name HN )) 3.100 1.200 1.200 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.36399E-02 ppm1 1.466 ppm2 9.259 CV 1 OR { 2005} ( segid A and resid 30 and name HG2%) (( segid A and resid 30 and name HN )) ASSI { 2007} (( segid B and resid 21 and name HA )) (( segid B and resid 91 and name HN )) 3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 5.452 ppm2 9.299 CV 1 OR { 2007} (( segid A and resid 21 and name HA )) (( segid A and resid 91 and name HN )) ASSI { 2009} ( segid B and resid 90 and name HG2%) (( segid B and resid 91 and name HN )) 3.100 1.200 1.200 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.32764E-02 ppm1 0.928 ppm2 9.323 CV 1 OR { 2009} ( segid A and resid 90 and name HG2%) (( segid A and resid 91 and name HN )) ASSI { 2010} (( segid B and resid 91 and name HA )) (( segid B and resid 91 and name HN )) 3.100 1.200 1.200 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.13946E-02 ppm1 4.484 ppm2 9.326 CV 1 OR { 2010} (( segid A and resid 91 and name HA )) (( segid A and resid 91 and name HN )) ASSI { 2012} ( segid A and resid 90 and name HD1%) (( segid A and resid 91 and name HN )) 2.800 2.800 3.200 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 0.652 ppm2 9.335 CV 1 OR { 2012} ( segid B and resid 90 and name HD1%) (( segid B and resid 91 and name HN )) ASSI { 2013} (( segid B and resid 90 and name HA )) (( segid B and resid 91 and name HN )) 2.600 0.900 0.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 4.044 ppm2 9.337 CV 1 OR { 2013} (( segid A and resid 90 and name HA )) (( segid A and resid 91 and name HN )) ASSI { 2014} ( segid A and resid 16 and name HD1%) (( segid A and resid 68 and name HN )) 2.600 0.900 0.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.32368E-02 ppm1 0.763 ppm2 9.434 CV 1 OR { 2014} ( segid B and resid 16 and name HD1%) (( segid B and resid 68 and name HN )) ASSI { 2025} (( segid B and resid 18 and name HA )) (( segid B and resid 65 and name HN )) 3.600 1.600 1.600 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12877E-02 ppm1 5.742 ppm2 9.560 CV 1 OR { 2025} (( segid A and resid 18 and name HA )) (( segid A and resid 65 and name HN )) ASSI { 2026} ( segid B and resid 90 and name HD1%) (( segid B and resid 89 and name HN )) 2.800 1.000 2.700 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 0.650 ppm2 9.578 CV 1 OR { 2026} ( segid A and resid 90 and name HD1%) (( segid A and resid 89 and name HN )) ASSI { 2027} ( segid A and resid 88 and name HG1%) (( segid A and resid 89 and name HN )) 3.200 1.300 1.300 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.27332E-02 ppm1 0.131 ppm2 9.586 CV 1 OR { 2027} ( segid B and resid 88 and name HG1%) (( segid B and resid 89 and name HN )) ASSI { 2028} ( segid A and resid 88 and name HG2%) (( segid A and resid 89 and name HN )) 3.300 1.300 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 0.232 ppm2 9.590 CV 1 OR { 2028} ( segid B and resid 88 and name HG2%) (( segid B and resid 89 and name HN )) ASSI { 2030} (( segid A and resid 89 and name HG1 )) (( segid A and resid 89 and name HN )) 3.600 1.600 1.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.15080E-02 ppm1 2.063 ppm2 9.597 CV 1 OR { 2030} (( segid B and resid 89 and name HG1 )) (( segid B and resid 89 and name HN )) ASSI { 2032} (( segid B and resid 89 and name HG2 )) (( segid B and resid 89 and name HN )) 3.500 1.500 1.500 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.23280E-02 ppm1 2.314 ppm2 9.599 CV 1 OR { 2032} (( segid A and resid 89 and name HG2 )) (( segid A and resid 89 and name HN )) ASSI { 2038} (( segid B and resid 70 and name HA )) (( segid B and resid 70 and name HN )) 3.200 1.300 1.300 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 4.315 ppm2 10.292 CV 1 OR { 2038} (( segid A and resid 70 and name HA )) (( segid A and resid 70 and name HN )) ASSI { 2043} (( segid B and resid 100 and name HB2 )) (( segid B and resid 100 and name HN )) 3.400 1.400 1.400 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.94670E-03 ppm1 1.717 ppm2 11.641 CV 1 OR { 2043} (( segid A and resid 100 and name HB2 )) (( segid A and resid 100 and name HN )) ASSI { 2044} (( segid A and resid 100 and name HB1 )) (( segid A and resid 100 and name HN )) 3.900 1.900 1.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.92295E-03 ppm1 1.395 ppm2 11.660 CV 1 OR { 2044} (( segid B and resid 100 and name HB1 )) (( segid B and resid 100 and name HN )) ASSI { 2045} (( segid B and resid 99 and name HA )) (( segid B and resid 100 and name HN )) 3.000 1.100 1.100 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 3.959 ppm2 11.669 CV 1 OR { 2045} (( segid A and resid 99 and name HA )) (( segid A and resid 100 and name HN )) ASSI { 2046} (( segid A and resid 100 and name HA )) (( segid A and resid 100 and name HN )) 3.300 1.300 1.300 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.11889E-02 ppm1 4.119 ppm2 11.670 CV 1 OR { 2046} (( segid B and resid 100 and name HA )) (( segid B and resid 100 and name HN ))
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