NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
6444 | 1j2o | 5100 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 302} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 3.532 ppm2 10.059 CV 1 ASSI { 335} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 5.005 ppm2 8.726 CV 1 ASSI { 347} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 5.134 ppm2 9.139 CV 1 ASSI { 349} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 4.650 ppm2 9.067 CV 1 ASSI { 354} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.800 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 4.562 ppm2 8.856 CV 1 ASSI { 359} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 4.009 ppm2 8.854 CV 1 ASSI { 360} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 4.567 ppm2 8.879 CV 1 ASSI { 361} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HN )) 2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 4.828 ppm2 8.858 CV 1 ASSI { 377} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 4.050 ppm2 7.787 CV 1 ASSI { 380} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 4.291 ppm2 7.932 CV 1 ASSI { 391} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 5.801 ppm2 8.433 CV 1 ASSI { 392} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HN )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 4.261 ppm2 8.447 CV 1 ASSI { 401} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.900 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.289 ppm2 8.347 CV 1 ASSI { 430} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 4.229 ppm2 8.151 CV 1 ASSI { 433} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 4.990 ppm2 8.260 CV 1 ASSI { 435} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 4.100 ppm2 8.272 CV 1 ASSI { 449} (( segid " " and resid 65 and name HA2 )) (( segid " " and resid 65 and name HN )) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.17743E-02 ppm1 3.267 ppm2 7.914 CV 1 ASSI { 454} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 4.515 ppm2 7.642 CV 1 ASSI { 456} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.18441E-02 ppm1 4.153 ppm2 7.498 CV 1 ASSI { 458} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.769 ppm2 7.610 CV 1 ASSI { 462} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.600 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 5.335 ppm2 7.554 CV 1 ASSI { 467} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.15507E-02 ppm1 4.760 ppm2 6.541 CV 1 ASSI { 469} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 4.659 ppm2 8.857 CV 1 ASSI { 474} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.700 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 4.693 ppm2 8.194 CV 1 ASSI { 589} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 4.484 ppm2 8.223 CV 1 ASSI { 594} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 4.501 ppm2 8.381 CV 1 ASSI { 605} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.19699E-02 ppm1 5.028 ppm2 7.969 CV 1 ASSI { 668} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HN )) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.19280E-02 ppm1 4.695 ppm2 8.448 CV 1 ASSI { 709} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.26195E-02 ppm1 5.071 ppm2 8.797 CV 1 ASSI { 752} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.21724E-02 ppm1 4.584 ppm2 8.817 CV 1 ASSI { 754} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 3.900 ppm2 7.647 CV 1 ASSI { 755} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 3.696 ppm2 7.649 CV 1 ASSI { 756} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.21794E-02 ppm1 3.336 ppm2 7.633 CV 1 ASSI { 784} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.41423E-02 ppm1 4.301 ppm2 7.160 CV 1 ASSI { 786} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HN )) 2.800 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 4.355 ppm2 7.598 CV 1 ASSI { 790} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.600 2.600 3.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.25985E-02 ppm1 3.474 ppm2 7.554 CV 1 ASSI { 791} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HN )) 2.600 2.600 3.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25357E-02 ppm1 3.366 ppm2 7.554 CV 1 ASSI { 794} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 5.335 ppm2 8.571 CV 1 ASSI { 795} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 3.481 ppm2 8.569 CV 1 ASSI { 796} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 3.369 ppm2 8.573 CV 1 ASSI { 797} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 4.173 ppm2 8.571 CV 1 ASSI { 798} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 2.999 ppm2 8.574 CV 1 ASSI { 799} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HN )) 2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.26894E-02 ppm1 1.540 ppm2 8.571 CV 1 ASSI { 800} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 4.173 ppm2 9.690 CV 1 ASSI { 801} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.600 2.600 3.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 3.000 ppm2 9.678 CV 1 ASSI { 802} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 34 and name HN )) 2.600 2.600 3.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 1.559 ppm2 9.690 CV 1 ASSI { 803} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) 2.500 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.35625E-02 ppm1 4.580 ppm2 9.690 CV 1 ASSI { 804} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 2.966 ppm2 9.681 CV 1 ASSI { 805} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.18441E-02 ppm1 2.624 ppm2 9.690 CV 1 ASSI { 807} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 3.999 ppm2 6.912 CV 1 ASSI { 808} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.14809E-02 ppm1 3.999 ppm2 7.554 CV 1 ASSI { 809} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.26195E-02 ppm1 -0.977 ppm2 6.912 CV 1 OR { 809} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HN )) ASSI { 810} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.27383E-02 ppm1 0.223 ppm2 6.912 CV 1 ASSI { 813} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 3.341 ppm2 6.912 CV 1 ASSI { 814} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 4.503 ppm2 6.912 CV 1 ASSI { 815} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 2.779 ppm2 8.627 CV 1 ASSI { 816} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.18371E-02 ppm1 2.663 ppm2 8.627 CV 1 ASSI { 817} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.500 2.500 3.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.29129E-02 ppm1 2.779 ppm2 7.646 CV 1 ASSI { 818} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 30 and name HN )) 2.500 2.500 3.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.32342E-02 ppm1 2.663 ppm2 7.646 CV 1 ASSI { 819} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 4.522 ppm2 8.627 CV 1 ASSI { 820} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.600 0.900 0.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 3.986 ppm2 9.954 CV 1 ASSI { 821} (( segid " " and resid 27 and name HA )) (( segid " " and resid 29 and name HN )) 2.600 2.600 3.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 5.122 ppm2 8.627 CV 1 ASSI { 822} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 2.111 ppm2 9.953 CV 1 ASSI { 823} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 2.204 ppm2 9.953 CV 1 ASSI { 825} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 2.211 ppm2 8.627 CV 1 ASSI { 826} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 2.117 ppm2 8.627 CV 1 ASSI { 828} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.22074E-02 ppm1 3.727 ppm2 9.138 CV 1 ASSI { 829} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 3.877 ppm2 9.138 CV 1 ASSI { 830} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HN )) 2.600 0.900 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 3.739 ppm2 9.953 CV 1 ASSI { 831} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.600 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.27383E-02 ppm1 3.935 ppm2 9.953 CV 1 ASSI { 834} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HN )) 2.600 2.600 3.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 3.476 ppm2 9.358 CV 1 ASSI { 835} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.600 2.600 3.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.23471E-02 ppm1 2.605 ppm2 9.358 CV 1 ASSI { 836} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 3.478 ppm2 9.138 CV 1 ASSI { 837} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 2.623 ppm2 9.138 CV 1 ASSI { 838} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.700 2.700 3.300 peak 838 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 9.136 ppm2 9.358 CV 1 ASSI { 839} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HN )) 2.800 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 6.907 ppm2 9.358 CV 1 ASSI { 840} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 5.869 ppm2 9.355 CV 1 ASSI { 841} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.16136E-02 ppm1 5.860 ppm2 9.140 CV 1 ASSI { 842} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.19559E-02 ppm1 9.953 ppm2 8.627 CV 1 ASSI { 843} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.800 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 7.637 ppm2 8.627 CV 1 ASSI { 844} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HN )) 2.500 2.500 3.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.33390E-02 ppm1 6.917 ppm2 8.627 CV 1 ASSI { 845} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.700 2.700 3.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 2.791 ppm2 8.433 CV 1 ASSI { 846} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HN )) 2.800 0.900 0.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 2.525 ppm2 8.433 CV 1 ASSI { 847} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HN )) 2.700 2.700 3.300 peak 847 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 2.313 ppm2 7.932 CV 1 ASSI { 848} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HN )) 2.700 2.700 3.300 peak 848 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 2.154 ppm2 7.932 CV 1 ASSI { 850} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.900 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 4.281 ppm2 8.433 CV 1 ASSI { 851} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.21445E-02 ppm1 2.296 ppm2 8.433 CV 1 ASSI { 852} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 2.148 ppm2 8.433 CV 1 ASSI { 853} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.700 2.700 3.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 1.751 ppm2 7.932 CV 1 ASSI { 855} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.700 2.700 3.300 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 1.751 ppm2 8.433 CV 1 ASSI { 856} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.800 2.800 3.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 7.930 ppm2 8.703 CV 1 ASSI { 857} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HN )) 2.900 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 3.999 ppm2 8.703 CV 1 ASSI { 859} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.17533E-02 ppm1 3.981 ppm2 7.932 CV 1 ASSI { 861} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.18371E-02 ppm1 10.060 ppm2 8.703 CV 1 ASSI { 863} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HN )) 2.600 2.600 3.400 peak 863 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 3.999 ppm2 10.059 CV 1 ASSI { 864} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 22 and name HN )) 2.800 0.900 0.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 0.494 ppm2 10.059 CV 1 ASSI { 865} (( segid " " and resid 22 and name HB )) (( segid " " and resid 22 and name HN )) 2.600 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 2.075 ppm2 10.059 CV 1 ASSI { 866} (( segid " " and resid 22 and name HG12)) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.32761E-02 ppm1 1.674 ppm2 10.059 CV 1 ASSI { 867} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.800 1.000 1.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.15996E-02 ppm1 3.558 ppm2 8.703 CV 1 ASSI { 868} (( segid " " and resid 22 and name HB )) (( segid " " and resid 23 and name HN )) 2.600 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 2.075 ppm2 8.703 CV 1 ASSI { 869} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 0.503 ppm2 8.703 CV 1 ASSI { 870} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 4.677 ppm2 9.125 CV 1 ASSI { 871} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 4.696 ppm2 10.059 CV 1 ASSI { 872} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.19699E-02 ppm1 1.147 ppm2 9.123 CV 1 ASSI { 873} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.19140E-02 ppm1 1.140 ppm2 10.059 CV 1 ASSI { 874} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.600 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 5.577 ppm2 9.313 CV 1 ASSI { 875} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 5.565 ppm2 9.125 CV 1 ASSI { 876} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 2.700 2.700 3.300 peak 876 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 1.854 ppm2 9.313 CV 1 ASSI { 877} (( segid " " and resid 98 and name HB )) (( segid " " and resid 20 and name HN )) 2.600 2.600 3.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.24309E-02 ppm1 3.964 ppm2 9.313 CV 1 ASSI { 878} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 1.668 ppm2 9.313 CV 1 ASSI { 879} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 20 and name HN )) 2.700 2.700 3.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 1.301 ppm2 9.313 CV 1 ASSI { 880} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HN )) 2.500 2.500 3.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.29129E-02 ppm1 1.208 ppm2 9.317 CV 1 ASSI { 881} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HN )) 2.600 2.600 3.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 0.995 ppm2 9.313 CV 1 ASSI { 882} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HN )) 2.700 2.700 3.300 peak 882 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 0.867 ppm2 9.313 CV 1 ASSI { 883} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 1.857 ppm2 9.125 CV 1 ASSI { 884} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 21 and name HN )) 2.700 2.700 3.300 peak 884 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 1.668 ppm2 9.125 CV 1 ASSI { 885} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 21 and name HN )) 2.700 2.700 3.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.22144E-02 ppm1 1.251 ppm2 9.120 CV 1 ASSI { 887} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.600 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.23471E-02 ppm1 5.651 ppm2 9.126 CV 1 ASSI { 888} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 5.661 ppm2 9.313 CV 1 ASSI { 889} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.600 2.600 3.400 peak 889 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 1.866 ppm2 9.126 CV 1 ASSI { 890} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HN )) 2.600 2.600 3.400 peak 890 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 1.668 ppm2 9.126 CV 1 OR { 890} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HN )) ASSI { 891} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HN )) 2.500 2.500 3.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.29199E-02 ppm1 1.321 ppm2 9.126 CV 1 ASSI { 893} (( segid " " and resid 19 and name HG )) (( segid " " and resid 19 and name HN )) 2.500 2.500 3.500 peak 893 spectrum 1 weight 0.10000E+01 volume 0.30037E-02 ppm1 0.876 ppm2 9.126 CV 1 ASSI { 894} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.17463E-02 ppm1 4.896 ppm2 8.692 CV 1 ASSI { 895} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.18511E-02 ppm1 4.919 ppm2 9.126 CV 1 ASSI { 896} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.500 2.500 3.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.32412E-02 ppm1 3.419 ppm2 8.692 CV 1 ASSI { 897} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HN )) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 3.084 ppm2 8.692 CV 1 ASSI { 898} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 3.425 ppm2 9.126 CV 1 ASSI { 899} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.21305E-02 ppm1 3.084 ppm2 9.126 CV 1 ASSI { 901} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 5.614 ppm2 7.871 CV 1 ASSI { 902} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 2.900 1.000 1.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.14250E-02 ppm1 5.611 ppm2 8.692 CV 1 ASSI { 903} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 2.897 ppm2 7.871 CV 1 ASSI { 904} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HN )) 2.600 0.900 0.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 2.775 ppm2 7.871 CV 1 ASSI { 905} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.700 2.700 3.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.19629E-02 ppm1 2.903 ppm2 8.692 CV 1 ASSI { 906} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 18 and name HN )) 2.700 2.700 3.300 peak 906 spectrum 1 weight 0.10000E+01 volume 0.21445E-02 ppm1 2.775 ppm2 8.692 CV 1 ASSI { 907} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 2.600 2.600 3.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 8.707 ppm2 7.871 CV 1 ASSI { 909} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.19559E-02 ppm1 3.669 ppm2 8.536 CV 1 ASSI { 910} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 3.663 ppm2 7.871 CV 1 ASSI { 912} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 1.350 ppm2 8.536 CV 1 ASSI { 913} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.17254E-02 ppm1 1.118 ppm2 8.536 CV 1 ASSI { 914} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.28640E-02 ppm1 0.619 ppm2 8.536 CV 1 ASSI { 916} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 17 and name HN )) 2.700 2.700 3.300 peak 916 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 1.125 ppm2 7.872 CV 1 ASSI { 917} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.700 2.700 3.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 1.358 ppm2 7.871 CV 1 ASSI { 920} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.18232E-02 ppm1 7.879 ppm2 8.536 CV 1 ASSI { 921} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 4.753 ppm2 8.536 CV 1 ASSI { 922} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 3.412 ppm2 6.541 CV 1 ASSI { 923} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.17114E-02 ppm1 2.591 ppm2 6.541 CV 1 ASSI { 924} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 16 and name HN )) 2.800 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 3.412 ppm2 8.536 CV 1 ASSI { 925} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 2.597 ppm2 8.536 CV 1 ASSI { 926} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 2.600 2.600 3.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.25636E-02 ppm1 7.898 ppm2 6.540 CV 1 ASSI { 927} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.500 2.500 3.500 peak 927 spectrum 1 weight 0.10000E+01 volume 0.29199E-02 ppm1 8.553 ppm2 6.540 CV 1 ASSI { 929} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.18441E-02 ppm1 9.688 ppm2 9.065 CV 1 ASSI { 931} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 4.596 ppm2 9.067 CV 1 ASSI { 933} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.23191E-02 ppm1 2.970 ppm2 9.067 CV 1 ASSI { 934} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 2.622 ppm2 9.067 CV 1 ASSI { 935} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 1.405 ppm2 9.067 CV 1 ASSI { 936} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HN )) 2.700 2.700 3.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 0.841 ppm2 9.067 CV 1 OR { 936} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HN )) ASSI { 938} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 1.650 ppm2 9.067 CV 1 ASSI { 939} (( segid " " and resid 35 and name HG )) (( segid " " and resid 35 and name HN )) 2.700 2.700 3.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 1.600 ppm2 9.067 CV 1 ASSI { 940} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 4.647 ppm2 8.260 CV 1 ASSI { 941} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.600 2.600 3.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.26335E-02 ppm1 1.650 ppm2 8.260 CV 1 ASSI { 942} (( segid " " and resid 35 and name HG )) (( segid " " and resid 36 and name HN )) 2.600 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 1.608 ppm2 8.260 CV 1 ASSI { 943} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 1.409 ppm2 8.260 CV 1 ASSI { 944} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 36 and name HN )) 2.600 2.600 3.400 peak 944 spectrum 1 weight 0.10000E+01 volume 0.28291E-02 ppm1 0.984 ppm2 8.260 CV 1 OR { 944} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 36 and name HN )) ASSI { 946} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 9.078 ppm2 8.264 CV 1 ASSI { 948} (( segid " " and resid 37 and name HA2 )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 3.972 ppm2 8.006 CV 1 ASSI { 949} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.17533E-02 ppm1 3.434 ppm2 8.006 CV 1 ASSI { 950} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 2.600 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 5.004 ppm2 8.007 CV 1 ASSI { 951} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.18371E-02 ppm1 3.202 ppm2 8.260 CV 1 ASSI { 952} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 3.432 ppm2 8.260 CV 1 ASSI { 953} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 37 and name HN )) 2.500 2.500 3.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.30666E-02 ppm1 3.208 ppm2 8.006 CV 1 ASSI { 955} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 8.265 ppm2 8.006 CV 1 ASSI { 956} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 8.863 ppm2 8.006 CV 1 ASSI { 957} (( segid " " and resid 35 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 2.700 3.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.22144E-02 ppm1 9.074 ppm2 8.006 CV 1 ASSI { 960} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.600 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 8.886 ppm2 8.751 CV 1 ASSI { 961} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.20607E-02 ppm1 4.141 ppm2 8.751 CV 1 ASSI { 962} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.16695E-02 ppm1 4.546 ppm2 8.751 CV 1 ASSI { 964} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.15298E-02 ppm1 1.829 ppm2 8.751 CV 1 ASSI { 966} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 3.116 ppm2 8.856 CV 1 ASSI { 967} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 3.261 ppm2 8.856 CV 1 ASSI { 968} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 3.265 ppm2 8.751 CV 1 ASSI { 969} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 3.114 ppm2 8.751 CV 1 ASSI { 971} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.35486E-02 ppm1 5.764 ppm2 8.796 CV 1 ASSI { 972} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 2.900 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.13971E-02 ppm1 5.771 ppm2 8.421 CV 1 ASSI { 973} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.500 2.500 3.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.35276E-02 ppm1 8.451 ppm2 8.796 CV 1 ASSI { 975} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.33600E-02 ppm1 2.918 ppm2 8.796 CV 1 ASSI { 976} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) 2.600 2.600 3.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 2.358 ppm2 8.796 CV 1 ASSI { 977} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name HN )) 2.600 2.600 3.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.23890E-02 ppm1 2.924 ppm2 8.421 CV 1 ASSI { 978} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 2.349 ppm2 8.421 CV 1 ASSI { 979} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 4.453 ppm2 8.421 CV 1 ASSI { 980} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.800 0.900 0.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 3.887 ppm2 9.475 CV 1 ASSI { 981} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 2.800 0.900 0.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 4.452 ppm2 9.470 CV 1 ASSI { 982} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.16136E-02 ppm1 3.889 ppm2 7.848 CV 1 ASSI { 983} (( segid " " and resid 50 and name HA )) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 4.452 ppm2 7.849 CV 1 ASSI { 984} (( segid " " and resid 52 and name HA1 )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 4.080 ppm2 7.849 CV 1 ASSI { 985} (( segid " " and resid 52 and name HA2 )) (( segid " " and resid 52 and name HN )) 2.900 1.000 1.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.14530E-02 ppm1 3.429 ppm2 7.849 CV 1 ASSI { 986} (( segid " " and resid 52 and name HA1 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 4.080 ppm2 7.610 CV 1 ASSI { 987} (( segid " " and resid 52 and name HA2 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 3.423 ppm2 7.610 CV 1 ASSI { 988} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.884 ppm2 7.610 CV 1 ASSI { 989} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.459 ppm2 7.610 CV 1 ASSI { 990} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.800 1.000 1.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 7.864 ppm2 7.612 CV 1 ASSI { 993} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 7.864 ppm2 9.470 CV 1 ASSI { 994} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.18511E-02 ppm1 8.439 ppm2 7.612 CV 1 ASSI { 995} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.300 2.300 3.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.47361E-02 ppm1 8.805 ppm2 7.612 CV 1 ASSI { 996} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 996 spectrum 1 weight 0.10000E+01 volume 0.18162E-02 ppm1 4.781 ppm2 8.797 CV 1 ASSI { 997} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.15507E-02 ppm1 5.064 ppm2 9.343 CV 1 ASSI { 998} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.600 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 6.088 ppm2 9.343 CV 1 ASSI { 999} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.800 1.000 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 1.930 ppm2 7.610 CV 1 ASSI { 1003} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 0.915 ppm2 9.470 CV 1 ASSI { 1004} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name HN )) 2.700 2.700 3.300 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 1.508 ppm2 9.470 CV 1 ASSI { 1005} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.500 2.500 3.500 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.28989E-02 ppm1 1.834 ppm2 9.470 CV 1 ASSI { 1006} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 1.664 ppm2 9.470 CV 1 ASSI { 1007} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.24309E-02 ppm1 1.821 ppm2 7.849 CV 1 ASSI { 1008} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 1.678 ppm2 7.849 CV 1 ASSI { 1009} (( segid " " and resid 51 and name HG )) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.28500E-02 ppm1 1.501 ppm2 7.849 CV 1 ASSI { 1010} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 0.915 ppm2 7.849 CV 1 OR { 1010} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 52 and name HN )) ASSI { 1011} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 6.092 ppm2 8.725 CV 1 ASSI { 1012} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.600 2.600 3.400 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.26544E-02 ppm1 8.745 ppm2 9.343 CV 1 ASSI { 1013} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.453 ppm2 8.726 CV 1 ASSI { 1014} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.800 ppm2 8.726 CV 1 ASSI { 1015} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.16695E-02 ppm1 1.767 ppm2 9.343 CV 1 ASSI { 1016} (( segid " " and resid 55 and name HG )) (( segid " " and resid 55 and name HN )) 2.700 2.700 3.300 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 1.592 ppm2 9.343 CV 1 ASSI { 1017} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.19629E-02 ppm1 0.959 ppm2 9.343 CV 1 ASSI { 1018} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 1.776 ppm2 8.726 CV 1 ASSI { 1019} (( segid " " and resid 55 and name HG )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 1.585 ppm2 8.726 CV 1 ASSI { 1020} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 0.966 ppm2 8.726 CV 1 OR { 1020} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 56 and name HN )) ASSI { 1021} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HN )) 2.600 0.900 0.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 3.635 ppm2 8.953 CV 1 ASSI { 1022} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 3.451 ppm2 8.953 CV 1 ASSI { 1023} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 57 and name HN )) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.29059E-02 ppm1 2.784 ppm2 8.953 CV 1 ASSI { 1024} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.18162E-02 ppm1 5.004 ppm2 8.953 CV 1 ASSI { 1026} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.011 ppm2 8.953 CV 1 ASSI { 1027} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.914 ppm2 8.953 CV 1 ASSI { 1028} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 8.953 CV 1 ASSI { 1029} (( segid " " and resid 57 and name HG3 )) (( segid " " and resid 57 and name HN )) 2.400 2.400 3.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.38419E-02 ppm1 1.426 ppm2 8.953 CV 1 ASSI { 1030} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.600 2.600 3.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.23890E-02 ppm1 8.753 ppm2 8.963 CV 1 ASSI { 1031} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 3.911 ppm2 8.208 CV 1 ASSI { 1032} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 3.923 ppm2 8.857 CV 1 ASSI { 1033} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 1.951 ppm2 8.208 CV 1 ASSI { 1034} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 1.698 ppm2 8.208 CV 1 ASSI { 1035} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.23191E-02 ppm1 1.416 ppm2 8.208 CV 1 ASSI { 1036} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 3.181 ppm2 8.208 CV 1 ASSI { 1037} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 2.026 ppm2 8.208 CV 1 ASSI { 1038} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 58 and name HN )) 2.500 2.500 3.500 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.30247E-02 ppm1 1.652 ppm2 8.208 CV 1 ASSI { 1039} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 1.945 ppm2 8.857 CV 1 ASSI { 1040} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 59 and name HN )) 2.600 2.600 3.400 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 1.710 ppm2 8.857 CV 1 ASSI { 1042} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.216 ppm2 8.963 CV 1 ASSI { 1045} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 8.859 ppm2 8.216 CV 1 ASSI { 1046} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 2.600 0.900 0.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.24449E-02 ppm1 4.666 ppm2 8.854 CV 1 ASSI { 1047} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.111 ppm2 8.857 CV 1 ASSI { 1048} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 2.553 ppm2 8.857 CV 1 ASSI { 1049} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HN )) 2.800 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 2.697 ppm2 8.854 CV 1 ASSI { 1050} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HN )) 2.600 2.600 3.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.26684E-02 ppm1 2.553 ppm2 8.854 CV 1 ASSI { 1051} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 2.600 2.600 3.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 3.120 ppm2 8.854 CV 1 ASSI { 1052} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HN )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 3.699 ppm2 8.276 CV 1 ASSI { 1053} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 4.006 ppm2 8.275 CV 1 ASSI { 1055} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 2.700 0.900 0.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 8.864 ppm2 8.275 CV 1 ASSI { 1057} (( segid " " and resid 61 and name HG )) (( segid " " and resid 61 and name HN )) 2.700 2.700 3.300 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 1.359 ppm2 8.276 CV 1 ASSI { 1058} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 61 and name HN )) 2.700 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 0.829 ppm2 8.276 CV 1 OR { 1058} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HN )) ASSI { 1060} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 8.277 ppm2 7.785 CV 1 ASSI { 1063} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.19280E-02 ppm1 7.665 ppm2 7.914 CV 1 ASSI { 1065} (( segid " " and resid 65 and name HA1 )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.18162E-02 ppm1 3.516 ppm2 7.914 CV 1 ASSI { 1066} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 4.046 ppm2 7.498 CV 1 ASSI { 1067} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HN )) 2.700 2.700 3.300 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.22144E-02 ppm1 4.046 ppm2 7.647 CV 1 ASSI { 1068} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HN )) 2.800 0.900 0.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 3.703 ppm2 7.914 CV 1 ASSI { 1069} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 3.894 ppm2 7.914 CV 1 ASSI { 1070} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.830 ppm2 7.782 CV 1 ASSI { 1071} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 62 and name HN )) 2.500 2.500 3.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.35066E-02 ppm1 0.758 ppm2 7.785 CV 1 OR { 1071} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 62 and name HN )) ASSI { 1072} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.966 ppm2 7.785 CV 1 ASSI { 1074} (( segid " " and resid 61 and name HG )) (( segid " " and resid 62 and name HN )) 2.700 2.700 3.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 1.358 ppm2 7.782 CV 1 ASSI { 1076} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 0.811 ppm2 7.498 CV 1 ASSI { 1077} (( segid " " and resid 63 and name HG )) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 1.760 ppm2 7.498 CV 1 ASSI { 1079} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 1.842 ppm2 7.498 CV 1 ASSI { 1080} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 1.964 ppm2 7.498 CV 1 ASSI { 1082} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 0.807 ppm2 7.649 CV 1 OR { 1082} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 1084} (( segid " " and resid 63 and name HG )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.26125E-02 ppm1 1.759 ppm2 7.649 CV 1 ASSI { 1085} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 2.300 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.56931E-02 ppm1 4.436 ppm2 8.317 CV 1 ASSI { 1086} (( segid " " and resid 65 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.500 2.500 3.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 3.520 ppm2 8.317 CV 1 ASSI { 1087} (( segid " " and resid 65 and name HA2 )) (( segid " " and resid 66 and name HN )) 2.400 2.400 3.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.39747E-02 ppm1 3.270 ppm2 8.317 CV 1 ASSI { 1090} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 2.600 0.900 0.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 4.462 ppm2 8.410 CV 1 ASSI { 1096} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HN )) 2.800 0.900 0.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 4.670 ppm2 8.317 CV 1 ASSI { 1097} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HN )) 2.700 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 2.825 ppm2 8.325 CV 1 ASSI { 1098} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HN )) 2.700 0.900 0.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 2.728 ppm2 8.325 CV 1 ASSI { 1105} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.40166E-02 ppm1 2.110 ppm2 8.381 CV 1 ASSI { 1106} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.41703E-02 ppm1 2.036 ppm2 8.381 CV 1 ASSI { 1107} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.30875E-02 ppm1 4.373 ppm2 8.381 CV 1 ASSI { 1108} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HN )) 2.600 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 2.147 ppm2 8.447 CV 1 ASSI { 1109} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HN )) 2.600 0.900 0.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 2.065 ppm2 8.447 CV 1 ASSI { 1110} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HN )) 2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 1.932 ppm2 8.447 CV 1 ASSI { 1111} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HN )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.19070E-02 ppm1 1.846 ppm2 8.447 CV 1 ASSI { 1112} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HN )) 2.700 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.20188E-02 ppm1 3.224 ppm2 8.448 CV 1 ASSI { 1113} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HN )) 2.700 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 3.061 ppm2 8.448 CV 1 ASSI { 1115} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 2.800 1.000 1.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 4.695 ppm2 8.473 CV 1 ASSI { 1117} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name HN )) 2.600 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.23820E-02 ppm1 3.229 ppm2 8.473 CV 1 ASSI { 1118} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 90 and name HN )) 2.600 0.800 0.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.26684E-02 ppm1 3.046 ppm2 8.473 CV 1 ASSI { 1119} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HN )) 2.700 0.900 0.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 8.985 ppm2 8.479 CV 1 ASSI { 1121} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HN )) 2.800 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.17813E-02 ppm1 4.946 ppm2 8.482 CV 1 ASSI { 1122} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HN )) 2.800 1.000 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 2.123 ppm2 8.970 CV 1 OR { 1122} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 92 and name HN )) ASSI { 1123} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HN )) 2.800 1.000 1.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 4.257 ppm2 8.969 CV 1 ASSI { 1124} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HN )) 2.800 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.16974E-02 ppm1 4.257 ppm2 8.482 CV 1 ASSI { 1129} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) 2.700 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 4.952 ppm2 7.600 CV 1 ASSI { 1131} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HN )) 2.800 1.000 1.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.16136E-02 ppm1 8.489 ppm2 7.600 CV 1 ASSI { 1134} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HN )) 2.700 0.900 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 3.988 ppm2 7.601 CV 1 ASSI { 1136} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HN )) 2.800 1.000 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.17813E-02 ppm1 3.993 ppm2 8.709 CV 1 ASSI { 1137} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HN )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 4.704 ppm2 8.709 CV 1 ASSI { 1138} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HN )) 2.400 2.400 3.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.41703E-02 ppm1 1.991 ppm2 8.709 CV 1 ASSI { 1139} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HN )) 2.500 0.800 0.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.30945E-02 ppm1 1.559 ppm2 8.709 CV 1 ASSI { 1141} (( segid " " and resid 95 and name HA )) (( segid " " and resid 96 and name HN )) 2.800 1.000 1.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 4.703 ppm2 8.321 CV 1 ASSI { 1142} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 4.321 ppm2 8.321 CV 1 ASSI { 1144} ( segid " " and resid 96 and name HD2%) (( segid " " and resid 96 and name HN )) 2.600 0.900 0.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.924 ppm2 8.321 CV 1 OR { 1144} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HN )) ASSI { 1145} (( segid " " and resid 96 and name HG )) (( segid " " and resid 96 and name HN )) 2.500 0.800 0.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.35486E-02 ppm1 1.335 ppm2 8.321 CV 1 ASSI { 1146} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HN )) 2.800 1.000 1.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.14809E-02 ppm1 4.584 ppm2 8.850 CV 1 ASSI { 1147} (( segid " " and resid 98 and name HB )) (( segid " " and resid 99 and name HN )) 2.600 2.600 3.400 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.24379E-02 ppm1 3.969 ppm2 8.850 CV 1 ASSI { 1148} (( segid " " and resid 98 and name HB )) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 3.961 ppm2 8.879 CV 1 ASSI { 1149} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HN )) 2.800 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.17743E-02 ppm1 4.829 ppm2 8.817 CV 1 ASSI { 1150} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.22633E-02 ppm1 4.901 ppm2 7.994 CV 1 ASSI { 1151} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 2.800 1.000 1.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 4.581 ppm2 7.994 CV 1 ASSI { 1152} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 2.500 2.500 3.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.35765E-02 ppm1 7.999 ppm2 9.351 CV 1 ASSI { 1154} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.300 2.300 3.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.47151E-02 ppm1 8.827 ppm2 7.992 CV 1 ASSI { 1157} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 2.600 0.900 0.900 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 4.824 ppm2 9.352 CV 1 ASSI { 1158} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HN )) 2.800 1.000 1.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 4.891 ppm2 9.351 CV 1 ASSI { 1159} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HN )) 2.800 1.000 1.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.17533E-02 ppm1 3.231 ppm2 9.350 CV 1 ASSI { 1160} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HN )) 2.800 1.000 1.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.17463E-02 ppm1 2.811 ppm2 9.350 CV 1 ASSI { 1161} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HN )) 2.700 2.700 3.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 1.905 ppm2 7.994 CV 1 ASSI { 1162} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.28430E-02 ppm1 1.973 ppm2 7.994 CV 1 ASSI { 1163} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HN )) 2.600 0.900 0.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.24379E-02 ppm1 1.822 ppm2 7.994 CV 1 ASSI { 1165} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HN )) 2.500 2.500 3.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.33809E-02 ppm1 2.811 ppm2 8.424 CV 1 ASSI { 1166} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HN )) 2.300 2.300 3.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.56442E-02 ppm1 3.239 ppm2 8.424 CV 1 ASSI { 1167} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HN )) 2.900 1.000 1.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.14110E-02 ppm1 4.824 ppm2 8.424 CV 1 ASSI { 1168} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HN )) 2.600 0.900 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 4.396 ppm2 8.424 CV 1 ASSI { 1169} (( segid " " and resid 103 and name HB )) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 4.254 ppm2 8.424 CV 1 ASSI { 1170} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HN )) 2.700 2.700 3.300 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 1.243 ppm2 8.424 CV 1 ASSI { 1171} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.21305E-02 ppm1 4.397 ppm2 8.087 CV 1 ASSI { 1173} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 4.346 ppm2 8.090 CV 1 ASSI { 1174} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 4.246 ppm2 8.090 CV 1 ASSI { 1175} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 2.260 ppm2 8.090 CV 1 ASSI { 1176} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 2.140 ppm2 8.090 CV 1 ASSI { 1178} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HN )) 2.600 0.800 0.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 1.244 ppm2 8.090 CV 1 ASSI { 1180} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 8.102 ppm2 8.424 CV 1 ASSI { 1183} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 105 and name HN )) 2.500 2.500 3.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.32691E-02 ppm1 2.267 ppm2 7.598 CV 1 ASSI { 1184} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 105 and name HN )) 2.600 2.600 3.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 2.120 ppm2 7.598 CV 1 ASSI { 1187} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 2.700 0.900 0.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 7.607 ppm2 8.088 CV 1 ASSI { 1189} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HN )) 2.800 1.000 1.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 2.487 ppm2 8.143 CV 1 ASSI { 1190} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HN )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.17114E-02 ppm1 2.575 ppm2 8.143 CV 1 ASSI { 1192} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HN )) 2.900 1.000 1.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 4.349 ppm2 8.143 CV 1 ASSI { 1193} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HN )) 2.800 1.000 1.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.16555E-02 ppm1 4.478 ppm2 8.143 CV 1 ASSI { 1194} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HN )) 2.800 1.000 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 4.473 ppm2 8.001 CV 1 ASSI { 1195} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HN )) 2.800 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 4.199 ppm2 8.001 CV 1 ASSI { 1196} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 107 and name HN )) 2.600 0.900 0.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 2.582 ppm2 8.001 CV 1 ASSI { 1197} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 107 and name HN )) 2.600 0.800 0.800 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.25357E-02 ppm1 2.490 ppm2 8.001 CV 1 ASSI { 1198} ( segid " " and resid 107 and name HB% ) (( segid " " and resid 107 and name HN )) 2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 1.426 ppm2 8.004 CV 1 ASSI { 1201} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.700 0.900 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 8.141 ppm2 8.001 CV 1 ASSI { 1202} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.700 0.900 0.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 7.609 ppm2 8.146 CV 1 ASSI { 1203} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 1.381 ppm2 8.223 CV 1 ASSI { 1204} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.17114E-02 ppm1 4.197 ppm2 8.226 CV 1 ASSI { 1206} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 2.700 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 8.011 ppm2 8.228 CV 1 ASSI { 1207} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HN )) 2.700 0.900 0.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 4.254 ppm2 8.226 CV 1 ASSI { 1208} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HN )) 2.700 0.900 0.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 4.250 ppm2 8.194 CV 1 ASSI { 1209} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HN )) 2.600 0.800 0.800 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.26474E-02 ppm1 2.748 ppm2 8.194 CV 1 ASSI { 1210} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 2.814 ppm2 8.194 CV 1 ASSI { 1231} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 9.056 ppm2 9.448 CV 1 ASSI { 1233} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 2.600 2.600 3.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.25985E-02 ppm1 5.024 ppm2 7.838 CV 1 ASSI { 1234} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 4.095 ppm2 7.838 CV 1 ASSI { 1235} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.21445E-02 ppm1 2.267 ppm2 7.838 CV 1 ASSI { 1236} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 2.356 ppm2 7.838 CV 1 ASSI { 1238} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 4.717 ppm2 8.272 CV 1 ASSI { 1239} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.21864E-02 ppm1 8.274 ppm2 8.648 CV 1 ASSI { 1240} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.19699E-02 ppm1 4.717 ppm2 8.644 CV 1 ASSI { 1241} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 4.762 ppm2 8.644 CV 1 ASSI { 1242} (( segid " " and resid 7 and name HA2 )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 2.350 ppm2 9.042 CV 1 ASSI { 1243} (( segid " " and resid 7 and name HA1 )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 3.658 ppm2 9.042 CV 1 ASSI { 1244} (( segid " " and resid 7 and name HA2 )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 2.341 ppm2 9.445 CV 1 ASSI { 1245} (( segid " " and resid 7 and name HA1 )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 3.649 ppm2 9.445 CV 1 ASSI { 1246} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 4.023 ppm2 9.445 CV 1 ASSI { 1247} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 4.548 ppm2 9.445 CV 1 ASSI { 1248} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 9 and name HN )) 2.700 0.900 0.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 4.548 ppm2 7.969 CV 1 ASSI { 1249} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 9 and name HN )) 2.800 0.900 0.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 4.014 ppm2 7.969 CV 1 ASSI { 1250} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HN )) 2.600 2.600 3.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 3.106 ppm2 7.969 CV 1 ASSI { 1251} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.700 2.700 3.300 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 3.400 ppm2 7.969 CV 1 ASSI { 1252} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 3.391 ppm2 7.838 CV 1 ASSI { 1253} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 10 and name HN )) 2.500 2.500 3.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.35206E-02 ppm1 3.097 ppm2 7.838 CV 1 ASSI { 1254} (( segid " " and resid 5 and name HB )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.16695E-02 ppm1 3.631 ppm2 8.147 CV 1 ASSI { 1255} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 0.881 ppm2 8.147 CV 1 ASSI { 1256} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.16555E-02 ppm1 4.227 ppm2 8.121 CV 1 ASSI { 1257} (( segid " " and resid 5 and name HB )) (( segid " " and resid 6 and name HN )) 2.600 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.22702E-02 ppm1 3.640 ppm2 8.121 CV 1 ASSI { 1258} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 0.881 ppm2 8.121 CV 1 ASSI { 1259} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.18511E-02 ppm1 3.417 ppm2 8.121 CV 1 ASSI { 1260} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HN )) 2.800 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 2.278 ppm2 8.121 CV 1 ASSI { 1261} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 4.343 ppm2 8.121 CV 1 ASSI { 1262} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name HN )) 2.800 1.000 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.15228E-02 ppm1 4.467 ppm2 8.305 CV 1 ASSI { 1263} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.800 1.000 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 4.289 ppm2 8.305 CV 1 ASSI { 1264} (( segid " " and resid 3 and name HB3 )) (( segid " " and resid 3 and name HN )) 2.700 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 1.550 ppm2 8.305 CV 1 ASSI { 1265} (( segid " " and resid 3 and name HG )) (( segid " " and resid 3 and name HN )) 2.700 0.900 0.900 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.19559E-02 ppm1 1.471 ppm2 8.305 CV 1 ASSI { 1266} ( segid " " and resid 3 and name HD2%) (( segid " " and resid 3 and name HN )) 2.600 0.900 0.900 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.23121E-02 ppm1 0.802 ppm2 8.305 CV 1 OR { 1266} ( segid " " and resid 3 and name HD1%) (( segid " " and resid 3 and name HN )) ASSI { 1267} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 4.194 ppm2 8.347 CV 1 ASSI { 1268} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 1.542 ppm2 8.347 CV 1 ASSI { 1269} (( segid " " and resid 3 and name HG )) (( segid " " and resid 4 and name HN )) 2.700 2.700 3.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 1.439 ppm2 8.347 CV 1 ASSI { 1270} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.17254E-02 ppm1 1.232 ppm2 8.347 CV 1 ASSI { 1271} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.800 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.16835E-02 ppm1 1.097 ppm2 8.347 CV 1 ASSI { 1272} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HN )) 2.800 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 0.794 ppm2 8.347 CV 1 ASSI { 1274} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.19629E-02 ppm1 0.103 ppm2 8.347 CV 1 OR { 1274} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HN )) ASSI { 1276} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 0.803 ppm2 8.147 CV 1 ASSI { 1277} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 0.103 ppm2 8.147 CV 1 OR { 1277} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) ASSI { 1280} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HN )) 2.700 0.900 0.900 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 4.475 ppm2 8.628 CV 1 ASSI { 1285} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.27383E-02 ppm1 2.734 ppm2 8.970 CV 1 ASSI { 1286} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.28430E-02 ppm1 2.815 ppm2 8.970 CV 1 ASSI { 1287} (( segid " " and resid 91 and name HA )) (( segid " " and resid 92 and name HN )) 2.800 1.000 1.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 4.673 ppm2 8.970 CV 1 ASSI { 1288} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 2.700 0.900 0.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 8.333 ppm2 8.967 CV 1 ASSI { 1296} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HN )) 2.600 0.900 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 4.054 ppm2 9.109 CV 1 ASSI { 1297} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 41 and name HN )) 2.600 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 3.662 ppm2 9.109 CV 1 ASSI { 1298} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 2.400 3.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.40934E-02 ppm1 8.285 ppm2 9.109 CV 1 ASSI { 1299} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.39537E-02 ppm1 7.191 ppm2 9.109 CV 1 ASSI { 1301} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.800 1.000 1.000 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.16555E-02 ppm1 5.130 ppm2 9.954 CV 1 ASSI { 1302} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 3.986 ppm2 8.627 CV 1 ASSI { 1304} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 4.351 ppm2 9.043 CV 1 ASSI { 1305} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) 2.500 2.500 3.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.31713E-02 ppm1 3.424 ppm2 9.045 CV 1 ASSI { 1306} (( segid " " and resid 26 and name HA )) (( segid " " and resid 7 and name HN )) 2.600 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 5.865 ppm2 9.041 CV 1 ASSI { 1307} (( segid " " and resid 6 and name HA )) (( segid " " and resid 8 and name HN )) 2.600 2.600 3.400 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 4.344 ppm2 9.445 CV 1 ASSI { 1309} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 2.600 3.400 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.27941E-02 ppm1 3.544 ppm2 7.932 CV 1 ASSI { 1310} (( segid " " and resid 20 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 2.600 3.400 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.27383E-02 ppm1 5.561 ppm2 7.932 CV 1 ASSI { 1311} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HN )) 2.700 2.700 3.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 4.683 ppm2 8.703 CV 1 ASSI { 1313} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.600 2.600 3.400 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 8.433 ppm2 7.933 CV 1 ASSI { 1314} (( segid " " and resid 21 and name HN )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 9.131 ppm2 7.933 CV 1 ASSI { 1315} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 2.500 2.500 3.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 10.065 ppm2 7.933 CV 1 ASSI { 1316} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 9.914 ppm2 7.934 CV 1 ASSI { 1317} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 9.914 ppm2 9.121 CV 1 ASSI { 1318} (( segid " " and resid 26 and name HZ2 )) (( segid " " and resid 26 and name HE1 )) 2.800 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 7.054 ppm2 9.910 CV 1 ASSI { 1319} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HE1 )) 2.800 1.000 1.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 6.918 ppm2 9.910 CV 1 ASSI { 1320} (( segid " " and resid 26 and name HZ3 )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.22074E-02 ppm1 6.911 ppm2 9.445 CV 1 ASSI { 1321} (( segid " " and resid 26 and name HE3 )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 7.206 ppm2 9.446 CV 1 ASSI { 1322} (( segid " " and resid 55 and name HA )) (( segid " " and resid 34 and name HN )) 2.600 0.900 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 6.102 ppm2 9.690 CV 1 ASSI { 1324} (( segid " " and resid 60 and name HN )) (( segid " " and resid 62 and name HN )) 2.500 2.500 3.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 8.866 ppm2 7.785 CV 1 ASSI { 1326} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 7.510 ppm2 7.914 CV 1 ASSI { 1330} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 2.600 2.600 3.400 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 8.712 ppm2 7.600 CV 1 ASSI { 1331} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HN )) 2.600 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 4.298 ppm2 8.224 CV 1 ASSI { 1332} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.19140E-02 ppm1 4.484 ppm2 8.879 CV 1 ASSI { 1335} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HN )) 2.400 2.400 3.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.37022E-02 ppm1 9.147 ppm2 7.637 CV 1 ASSI { 1336} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.500 2.500 3.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 8.446 ppm2 9.363 CV 1 ASSI { 1345} (( segid " " and resid 68 and name HA2 )) (( segid " " and resid 68 and name HN )) 2.300 0.700 0.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.48618E-02 ppm1 4.004 ppm2 8.606 CV 1 ASSI { 1346} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 68 and name HN )) 2.100 2.100 3.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.80331E-02 ppm1 4.138 ppm2 8.606 CV 1 ASSI { 1348} (( segid " " and resid 14 and name HA2 )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 3.630 ppm2 6.541 CV 1 ASSI { 1349} (( segid " " and resid 14 and name HA1 )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.20607E-02 ppm1 4.437 ppm2 6.541 CV 1 ASSI { 1350} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.15996E-02 ppm1 9.460 ppm2 7.971 CV 1 ASSI { 1352} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HN )) 2.600 2.600 3.400 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 7.847 ppm2 9.448 CV 1 ASSI { 1353} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.17603E-02 ppm1 7.992 ppm2 7.838 CV 1 ASSI { 1354} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.800 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 8.283 ppm2 7.838 CV 1 ASSI { 1357} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 8.711 ppm2 9.125 CV 1 ASSI { 1358} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.45405E-02 ppm1 10.063 ppm2 9.121 CV 1 ASSI { 1359} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.500 2.500 3.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.31853E-02 ppm1 9.336 ppm2 9.125 CV 1 ASSI { 1361} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HN )) 2.600 2.600 3.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.26754E-02 ppm1 8.230 ppm2 8.325 CV 1 ASSI { 1362} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.600 2.600 3.400 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.28081E-02 ppm1 8.721 ppm2 8.325 CV 1 ASSI { 1363} (( segid " " and resid 57 and name HA )) (( segid " " and resid 60 and name HN )) 2.600 2.600 3.400 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 3.638 ppm2 8.854 CV 1 ASSI { 1364} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.600 0.900 0.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.23191E-02 ppm1 3.700 ppm2 7.787 CV 1 ASSI { 1368} (( segid " " and resid 54 and name HA )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 5.066 ppm2 8.421 CV 1 ASSI { 1369} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.22633E-02 ppm1 4.212 ppm2 8.856 CV 1 ASSI { 1370} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 107 and name HN )) 2.700 2.700 3.300 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 1.382 ppm2 8.004 CV 1 ASSI { 1371} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HN )) 2.700 2.700 3.300 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 8.584 ppm2 8.855 CV 1 ASSI { 1373} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HN )) 2.500 2.500 3.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 8.280 ppm2 8.571 CV 1 ASSI { 1374} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HN )) 2.400 2.400 3.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.37302E-02 ppm1 8.007 ppm2 8.571 CV 1 ASSI { 1375} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 2.700 3.300 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 4.739 ppm2 7.871 CV 1 ASSI { 1376} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.18162E-02 ppm1 3.413 ppm2 7.871 CV 1 ASSI { 1377} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 2.603 ppm2 7.871 CV 1 ASSI { 1381} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.700 2.700 3.300 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 3.003 ppm2 8.006 CV 1 ASSI { 1382} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.15507E-02 ppm1 4.229 ppm2 8.004 CV 1 ASSI { 1383} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 37 and name HN )) 2.400 2.400 3.600 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.36952E-02 ppm1 0.838 ppm2 8.006 CV 1 OR { 1383} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 37 and name HN )) ASSI { 1384} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.500 2.500 3.500 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.35625E-02 ppm1 1.652 ppm2 8.006 CV 1 ASSI { 1385} (( segid " " and resid 35 and name HG )) (( segid " " and resid 37 and name HN )) 2.500 2.500 3.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.34298E-02 ppm1 1.604 ppm2 8.006 CV 1 ASSI { 1386} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 37 and name HN )) 2.500 2.500 3.500 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.34508E-02 ppm1 1.410 ppm2 8.006 CV 1 ASSI { 1387} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HN )) 2.600 2.600 3.400 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 4.661 ppm2 8.007 CV 1 ASSI { 1388} (( segid " " and resid 34 and name HA )) (( segid " " and resid 37 and name HN )) 2.500 2.500 3.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.32063E-02 ppm1 4.568 ppm2 8.007 CV 1 ASSI { 1390} (( segid " " and resid 6 and name HA )) (( segid " " and resid 27 and name HN )) 2.600 2.600 3.400 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.25636E-02 ppm1 4.356 ppm2 9.138 CV 1 ASSI { 1391} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 27 and name HN )) 2.500 2.500 3.500 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.34088E-02 ppm1 2.284 ppm2 9.138 CV 1 ASSI { 1392} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.800 0.900 0.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 7.810 ppm2 7.494 CV 1 ASSI { 1393} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 7.644 ppm2 7.494 CV 1 ASSI { 1394} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 63 and name HN )) 2.600 2.600 3.400 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 3.698 ppm2 7.498 CV 1 ASSI { 1395} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 63 and name HN )) 2.500 2.500 3.500 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.36184E-02 ppm1 3.911 ppm2 7.498 CV 1 ASSI { 1396} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 4.177 ppm2 7.647 CV 1 ASSI { 1397} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HN )) 2.400 2.400 3.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.41423E-02 ppm1 4.185 ppm2 7.914 CV 1 ASSI { 1398} (( segid " " and resid 19 and name HA )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 5.662 ppm2 8.817 CV 1 ASSI { 1399} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 5.800 ppm2 9.358 CV 1 ASSI { 1400} (( segid " " and resid 26 and name HA )) (( segid " " and resid 8 and name HN )) 2.400 2.400 3.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.36883E-02 ppm1 5.868 ppm2 9.445 CV 1 ASSI { 1401} (( segid " " and resid 20 and name HA )) (( segid " " and resid 26 and name HN )) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.29408E-02 ppm1 5.558 ppm2 9.358 CV 1 ASSI { 1402} (( segid " " and resid 20 and name HA )) (( segid " " and resid 26 and name HE1 )) 2.600 2.600 3.400 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 5.558 ppm2 9.910 CV 1 ASSI { 1403} (( segid " " and resid 31 and name HN )) (( segid " " and resid 27 and name HN )) 2.400 2.400 3.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.40585E-02 ppm1 6.921 ppm2 9.140 CV 1 ASSI { 1405} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HN )) 2.400 2.400 3.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.40305E-02 ppm1 8.624 ppm2 9.140 CV 1 ASSI { 1409} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 3.117 ppm2 8.726 CV 1 ASSI { 1410} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 2.547 ppm2 8.726 CV 1 ASSI { 1411} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 8.852 ppm2 8.725 CV 1 ASSI { 1412} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HN )) 2.400 2.400 3.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.37511E-02 ppm1 8.437 ppm2 7.849 CV 1 ASSI { 1413} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.24728E-02 ppm1 3.638 ppm2 8.208 CV 1 ASSI { 1414} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 58 and name HN )) 2.600 2.600 3.400 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.25916E-02 ppm1 3.458 ppm2 8.208 CV 1 ASSI { 1415} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 58 and name HN )) 2.500 2.500 3.500 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.32342E-02 ppm1 2.798 ppm2 8.208 CV 1 ASSI { 1416} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HN )) 2.500 2.500 3.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.34088E-02 ppm1 5.003 ppm2 8.208 CV 1 ASSI { 1417} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16974E-02 ppm1 3.437 ppm2 8.856 CV 1 ASSI { 1419} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 2.600 2.600 3.400 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.27383E-02 ppm1 5.769 ppm2 7.610 CV 1 ASSI { 1420} (( segid " " and resid 49 and name HA )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.33041E-02 ppm1 5.763 ppm2 9.343 CV 1 ASSI { 1421} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.29199E-02 ppm1 2.365 ppm2 9.343 CV 1 ASSI { 1423} (( segid " " and resid 50 and name HN )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.43239E-02 ppm1 8.427 ppm2 9.343 CV 1 ASSI { 1425} (( segid " " and resid 5 and name HB )) (( segid " " and resid 10 and name HN )) 2.400 2.400 3.600 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.40166E-02 ppm1 3.645 ppm2 7.838 CV 1 ASSI { 1426} (( segid " " and resid 5 and name HA )) (( segid " " and resid 10 and name HN )) 2.300 2.300 3.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.55743E-02 ppm1 4.238 ppm2 7.838 CV 1 ASSI { 1427} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.21445E-02 ppm1 0.887 ppm2 7.838 CV 1 ASSI { 1428} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.800 2.800 3.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 2.661 ppm2 8.644 CV 1 ASSI { 1429} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HN )) 2.700 2.700 3.300 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 2.494 ppm2 8.644 CV 1 ASSI { 1430} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 2.316 ppm2 8.274 CV 1 ASSI { 1431} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 2.429 ppm2 8.272 CV 1 ASSI { 1432} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.22353E-02 ppm1 2.494 ppm2 8.272 CV 1 ASSI { 1433} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 1.907 ppm2 8.421 CV 1 ASSI { 1434} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HN )) 2.600 2.600 3.400 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 1.635 ppm2 8.421 CV 1 ASSI { 1436} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HN )) 2.600 2.600 3.400 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 1.354 ppm2 8.421 CV 1 ASSI { 1437} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 1.771 ppm2 8.422 CV 1 ASSI { 1439} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 54 and name HN )) 2.500 2.500 3.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.30316E-02 ppm1 0.988 ppm2 8.797 CV 1 ASSI { 1440} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HN )) 2.400 2.400 3.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.38559E-02 ppm1 1.337 ppm2 8.797 CV 1 ASSI { 1441} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.567 ppm2 8.797 CV 1 ASSI { 1442} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.779 ppm2 8.797 CV 1 ASSI { 1452} ( segid " " and resid 96 and name HD2%) (( segid " " and resid 96 and name HN )) 2.600 0.800 0.800 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.26544E-02 ppm1 0.801 ppm2 8.321 CV 1 OR { 1452} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HN )) ASSI { 1453} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 98 and name HN )) 2.600 0.900 0.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 1.206 ppm2 8.867 CV 1 ASSI { 1454} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HN )) 2.800 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 1.813 ppm2 8.850 CV 1 ASSI { 1456} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 0.324 ppm2 8.817 CV 1 ASSI { 1457} (( segid " " and resid 100 and name HG )) (( segid " " and resid 100 and name HN )) 2.700 2.700 3.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 1.294 ppm2 8.817 CV 1 ASSI { 1458} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 0.971 ppm2 8.817 CV 1 ASSI { 1459} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 0.852 ppm2 8.817 CV 1 OR { 1459} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HN )) ASSI { 1484} (( segid " " and resid 12 and name HD22)) (( segid " " and resid 12 and name HD21)) 3.000 3.000 3.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 6.934 ppm2 7.443 CV 1 ASSI { 1485} (( segid " " and resid 10 and name HE22)) (( segid " " and resid 10 and name HE21)) 3.000 3.000 3.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 6.798 ppm2 7.466 CV 1 ASSI { 1487} (( segid " " and resid 104 and name HE22)) (( segid " " and resid 104 and name HE21)) 3.000 3.000 3.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 6.567 ppm2 7.236 CV 1 ASSI { 1488} (( segid " " and resid 11 and name HE22)) (( segid " " and resid 11 and name HE21)) 2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 6.850 ppm2 7.511 CV 1 ASSI { 1489} (( segid " " and resid 24 and name HE22)) (( segid " " and resid 24 and name HE21)) 3.000 3.000 3.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 6.945 ppm2 7.310 CV 1 ASSI { 1493} (( segid " " and resid 105 and name HA )) (( segid " " and resid 107 and name HN )) 2.600 2.600 3.400 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 4.369 ppm2 8.001 CV 1 ASSI { 1495} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 3.014 ppm2 8.726 CV 1 ASSI { 1496} (( segid " " and resid 33 and name HA )) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.28221E-02 ppm1 4.200 ppm2 8.726 CV 1 ASSI { 1497} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 26 and name HN )) 2.600 2.600 3.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.24728E-02 ppm1 2.527 ppm2 9.358 CV 1 ASSI { 1498} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 2.795 ppm2 9.358 CV 1 ASSI { 1499} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.600 0.900 0.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 3.503 ppm2 7.642 CV 1 ASSI { 1500} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 3.739 ppm2 7.642 CV 1 ASSI { 1501} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 3.895 ppm2 7.642 CV 1 ASSI { 1502} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) 2.600 2.600 3.400 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 3.987 ppm2 7.642 CV 1 ASSI { 1503} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 0.900 0.900 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 3.503 ppm2 6.912 CV 1 ASSI { 1504} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 31 and name HN )) 2.400 2.400 3.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.46103E-02 ppm1 3.743 ppm2 6.912 CV 1 ASSI { 1505} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.48059E-02 ppm1 3.899 ppm2 6.912 CV 1 ASSI { 1506} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 3.348 ppm2 9.138 CV 1 ASSI { 1510} (( segid " " and resid 91 and name HN )) (( segid " " and resid 93 and name HN )) 2.600 2.600 3.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 8.343 ppm2 8.479 CV 1 ASSI { 1511} (( segid " " and resid 91 and name HA )) (( segid " " and resid 93 and name HN )) 2.600 2.600 3.400 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.28430E-02 ppm1 4.668 ppm2 8.482 CV 1 ASSI { 1512} (( segid " " and resid 91 and name HA )) (( segid " " and resid 94 and name HN )) 2.700 2.700 3.300 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 4.693 ppm2 7.600 CV 1 ASSI { 1513} (( segid " " and resid 92 and name HA )) (( segid " " and resid 94 and name HN )) 2.700 2.700 3.300 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 4.255 ppm2 7.601 CV 1 ASSI { 1514} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.500 2.500 3.500 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.35975E-02 ppm1 2.630 ppm2 6.912 CV 1 ASSI { 1516} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HE1 )) 2.500 2.500 3.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 5.795 ppm2 9.910 CV 1 ASSI { 1517} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.400 2.400 3.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.36463E-02 ppm1 8.135 ppm2 9.042 CV 1 ASSI { 1519} (( segid " " and resid 16 and name HA )) (( segid " " and resid 102 and name HN )) 2.600 2.600 3.400 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.27941E-02 ppm1 3.662 ppm2 9.350 CV 1 ASSI { 1520} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 0.503 ppm2 6.541 CV 1 ASSI { 1521} ( segid " " and resid 13 and name HD1%) (( segid " " and resid 7 and name HN )) 2.600 2.600 3.400 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.25287E-02 ppm1 0.183 ppm2 9.042 CV 1 ASSI { 1524} (( segid " " and resid 13 and name HG13)) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.22353E-02 ppm1 -0.573 ppm2 8.176 CV 1 ASSI { 1525} ( segid " " and resid 13 and name HD1%) (( segid " " and resid 13 and name HN )) 2.600 0.900 0.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 0.188 ppm2 8.176 CV 1 ASSI { 1526} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HN )) 2.600 2.600 3.400 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.501 ppm2 8.176 CV 1 ASSI { 1527} (( segid " " and resid 13 and name HG12)) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 1.093 ppm2 8.176 CV 1 ASSI { 1528} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 1.184 ppm2 8.176 CV 1 ASSI { 1529} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 13 and name HN )) 2.600 2.600 3.400 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.23890E-02 ppm1 2.521 ppm2 8.176 CV 1 ASSI { 1530} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HN )) 2.600 2.600 3.400 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 2.654 ppm2 8.176 CV 1 ASSI { 1531} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.600 0.800 0.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.26894E-02 ppm1 3.870 ppm2 8.176 CV 1 ASSI { 1533} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 4.711 ppm2 8.176 CV 1 ASSI { 1534} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 8 and name HN )) 2.600 2.600 3.400 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 3.511 ppm2 9.445 CV 1 ASSI { 1535} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 8 and name HN )) 2.600 2.600 3.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.26474E-02 ppm1 3.346 ppm2 9.445 CV 1 ASSI { 1536} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 10 and name HN )) 2.500 2.500 3.500 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.34019E-02 ppm1 4.548 ppm2 7.838 CV 1 ASSI { 1537} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HN )) 2.400 2.400 3.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.37022E-02 ppm1 5.124 ppm2 7.642 CV 1 ASSI { 1538} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.700 2.700 3.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 2.525 ppm2 8.644 CV 1 ASSI { 1539} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HN )) 2.600 2.600 3.400 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.24309E-02 ppm1 2.423 ppm2 8.644 CV 1 ASSI { 1540} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HN )) 2.700 2.700 3.300 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 2.313 ppm2 8.644 CV 1 ASSI { 1541} (( segid " " and resid 12 and name HA )) (( segid " " and resid 6 and name HN )) 2.600 2.600 3.400 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 4.725 ppm2 8.121 CV 1 ASSI { 1543} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 3.864 ppm2 6.541 CV 1 ASSI { 1544} ( segid " " and resid 13 and name HD1%) (( segid " " and resid 6 and name HN )) 2.600 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.27103E-02 ppm1 0.187 ppm2 8.121 CV 1 ASSI { 1545} (( segid " " and resid 13 and name HG13)) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.36254E-02 ppm1 -0.569 ppm2 8.121 CV 1 ASSI { 1546} (( segid " " and resid 13 and name HG12)) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.31644E-02 ppm1 1.088 ppm2 8.121 CV 1 ASSI { 1548} ( segid " " and resid 18 and name HD% ) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.41703E-02 ppm1 6.795 ppm2 9.126 CV 1 ASSI { 1549} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 6.920 ppm2 9.120 CV 1 ASSI { 1552} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 20 and name HN )) 2.400 2.400 3.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.42680E-02 ppm1 6.771 ppm2 9.307 CV 1 ASSI { 1553} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 20 and name HN )) 2.300 2.300 3.700 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.48897E-02 ppm1 6.918 ppm2 9.307 CV 1 ASSI { 1555} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 26 and name HN )) 2.500 2.500 3.500 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.34857E-02 ppm1 6.795 ppm2 9.358 CV 1 ASSI { 1557} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 -0.977 ppm2 7.551 CV 1 ASSI { 1558} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 26 and name HE1 )) 2.600 0.800 0.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.27313E-02 ppm1 -0.977 ppm2 9.910 CV 1 ASSI { 1559} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 1.317 ppm2 7.994 CV 1 ASSI { 1560} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 0.992 ppm2 7.994 CV 1 ASSI { 1561} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 0.881 ppm2 7.994 CV 1 ASSI { 1562} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 0.326 ppm2 7.994 CV 1 ASSI { 1565} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HD21)) 2.700 0.900 0.900 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 2.811 ppm2 7.628 CV 1 ASSI { 1566} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HD22)) 2.600 0.900 0.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 2.818 ppm2 6.614 CV 1 ASSI { 1567} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HD21)) 2.700 2.700 3.300 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.21794E-02 ppm1 3.241 ppm2 7.628 CV 1 ASSI { 1568} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HD22)) 2.600 2.600 3.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 3.245 ppm2 6.614 CV 1 ASSI { 1569} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 93 and name HN )) 2.700 0.900 0.900 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.21305E-02 ppm1 2.128 ppm2 8.482 CV 1 OR { 1569} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 93 and name HN )) ASSI { 1574} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 4.658 ppm2 7.787 CV 1 ASSI { 1575} (( segid " " and resid 59 and name HA )) (( segid " " and resid 63 and name HN )) 2.500 2.500 3.500 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.30247E-02 ppm1 4.654 ppm2 7.498 CV 1 ASSI { 1576} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 4.065 ppm2 8.264 CV 1 ASSI { 1577} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 40 and name HN )) 2.600 2.600 3.400 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.25706E-02 ppm1 1.828 ppm2 8.263 CV 1 ASSI { 1578} (( segid " " and resid 40 and name HG )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 1.554 ppm2 8.263 CV 1 ASSI { 1580} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HN )) 2.500 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.30386E-02 ppm1 0.736 ppm2 8.263 CV 1 OR { 1580} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HN )) ASSI { 1582} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.19699E-02 ppm1 4.142 ppm2 8.264 CV 1 ASSI { 1586} (( segid " " and resid 102 and name HD21)) (( segid " " and resid 102 and name HN )) 2.400 2.400 3.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.39886E-02 ppm1 7.625 ppm2 9.351 CV 1 ASSI { 1589} ( segid " " and resid 18 and name HD% ) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.27033E-02 ppm1 6.782 ppm2 9.351 CV 1 ASSI { 1590} (( segid " " and resid 102 and name HD22)) (( segid " " and resid 102 and name HN )) 2.400 2.400 3.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.38839E-02 ppm1 6.627 ppm2 9.351 CV 1 ASSI { 1593} (( segid " " and resid 32 and name HA )) (( segid " " and resid 40 and name HN )) 2.700 2.700 3.300 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.22353E-02 ppm1 5.335 ppm2 8.264 CV 1 ASSI { 1596} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 96 and name HN )) 2.500 2.500 3.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 1.805 ppm2 8.321 CV 1 ASSI { 1598} (( segid " " and resid 17 and name HA )) (( segid " " and resid 102 and name HN )) 2.700 0.900 0.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 5.611 ppm2 9.351 CV 1 ASSI { 1599} (( segid " " and resid 19 and name HA )) (( segid " " and resid 98 and name HN )) 2.400 2.400 3.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.45964E-02 ppm1 5.662 ppm2 8.879 CV 1 ASSI { 1600} ( segid " " and resid 18 and name HD% ) (( segid " " and resid 18 and name HN )) 2.500 0.800 0.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.33180E-02 ppm1 6.792 ppm2 8.695 CV 1 ASSI { 1602} ( segid " " and resid 17 and name HD% ) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 7.037 ppm2 8.695 CV 1 ASSI { 1603} ( segid " " and resid 17 and name HD% ) (( segid " " and resid 17 and name HN )) 2.700 2.700 3.300 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.18721E-02 ppm1 7.032 ppm2 7.871 CV 1 ASSI { 1604} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 7.160 ppm2 8.433 CV 1 ASSI { 1606} (( segid " " and resid 26 and name HE3 )) (( segid " " and resid 27 and name HN )) 2.500 2.500 3.500 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 7.198 ppm2 9.140 CV 1 ASSI { 1607} (( segid " " and resid 26 and name HE3 )) (( segid " " and resid 30 and name HN )) 2.500 2.500 3.500 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.32901E-02 ppm1 7.203 ppm2 7.636 CV 1 ASSI { 1608} (( segid " " and resid 26 and name HE3 )) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 7.198 ppm2 6.912 CV 1 ASSI { 1609} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 6.916 ppm2 8.421 CV 1 ASSI { 1610} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 6.725 ppm2 7.849 CV 1 ASSI { 1612} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.30945E-02 ppm1 6.730 ppm2 7.612 CV 1 ASSI { 1614} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 55 and name HN )) 2.500 2.500 3.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.36114E-02 ppm1 6.925 ppm2 9.343 CV 1 ASSI { 1615} ( segid " " and resid 48 and name HD% ) (( segid " " and resid 57 and name HN )) 2.500 2.500 3.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 6.218 ppm2 8.963 CV 1 ASSI { 1617} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.20467E-02 ppm1 6.419 ppm2 8.852 CV 1 ASSI { 1619} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 61 and name HN )) 2.400 0.700 0.700 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.40515E-02 ppm1 6.567 ppm2 8.275 CV 1 ASSI { 1622} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 0.591 ppm2 6.912 CV 1 ASSI { 1624} (( segid " " and resid 5 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 4.232 ppm2 8.176 CV 1 ASSI { 1625} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.15717E-02 ppm1 4.197 ppm2 8.151 CV 1 ASSI { 1627} (( segid " " and resid 33 and name HA )) (( segid " " and resid 35 and name HN )) 2.600 2.600 3.400 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.24449E-02 ppm1 4.185 ppm2 9.067 CV 1 ASSI { 1628} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.300 2.300 3.700 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.48828E-02 ppm1 2.093 ppm2 8.263 CV 1 ASSI { 1629} (( segid " " and resid 25 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 2.600 3.400 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 5.797 ppm2 9.125 CV 1 ASSI { 1631} (( segid " " and resid 58 and name HA )) (( segid " " and resid 61 and name HN )) 2.500 0.800 0.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.30456E-02 ppm1 3.914 ppm2 8.275 CV 1 ASSI { 1633} ( segid " " and resid 17 and name HD% ) (( segid " " and resid 102 and name HN )) 2.400 2.400 3.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.45055E-02 ppm1 7.034 ppm2 9.351 CV 1 ASSI { 1634} ( segid " " and resid 48 and name HD% ) (( segid " " and resid 94 and name HN )) 2.500 2.500 3.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.30386E-02 ppm1 6.234 ppm2 7.600 CV 1 ASSI { 1636} ( segid " " and resid 48 and name HD% ) (( segid " " and resid 93 and name HN )) 2.500 2.500 3.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.34857E-02 ppm1 6.230 ppm2 8.479 CV 1 ASSI { 1643} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 38 and name HN )) 2.700 2.700 3.300 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 3.008 ppm2 8.856 CV 1 ASSI { 1644} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 59 and name HN )) 2.600 2.600 3.400 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.25706E-02 ppm1 1.413 ppm2 8.856 CV 1 ASSI { 1645} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 59 and name HN )) 2.600 2.600 3.400 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 0.988 ppm2 8.856 CV 1 ASSI { 1647} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 34 and name HN )) 2.700 2.700 3.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 0.990 ppm2 9.690 CV 1 OR { 1647} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 34 and name HN )) ASSI { 1649} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.36463E-02 ppm1 0.407 ppm2 8.571 CV 1 OR { 1649} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 33 and name HN )) ASSI { 1650} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 34 and name HN )) 2.300 2.300 3.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.47570E-02 ppm1 0.416 ppm2 9.690 CV 1 OR { 1650} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 34 and name HN )) ASSI { 1651} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.27173E-02 ppm1 0.915 ppm2 7.610 CV 1 OR { 1651} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 53 and name HN )) ASSI { 1652} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 53 and name HN )) 2.500 2.500 3.500 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 0.968 ppm2 7.610 CV 1 ASSI { 1653} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 1.778 ppm2 7.610 CV 1 ASSI { 1654} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 55 and name HN )) 2.700 2.700 3.300 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.22633E-02 ppm1 0.637 ppm2 9.343 CV 1 OR { 1654} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 55 and name HN )) ASSI { 1656} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 4.714 ppm2 8.796 CV 1 ASSI { 1658} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 98 and name HN )) 2.600 2.600 3.400 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 0.481 ppm2 8.879 CV 1 ASSI { 1659} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 0.689 ppm2 8.879 CV 1 ASSI { 1660} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.800 0.900 0.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 1.843 ppm2 6.909 CV 1 ASSI { 1661} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.985 ppm2 6.909 CV 1 ASSI { 1665} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.38210E-02 ppm1 1.009 ppm2 8.692 CV 1 OR { 1665} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 18 and name HN )) ASSI { 1667} (( segid " " and resid 19 and name HG )) (( segid " " and resid 18 and name HN )) 2.500 2.500 3.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.35206E-02 ppm1 0.861 ppm2 8.692 CV 1 ASSI { 1668} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.39747E-02 ppm1 0.311 ppm2 8.692 CV 1 ASSI { 1670} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 7.648 ppm2 6.912 CV 1 ASSI { 1672} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.21794E-02 ppm1 0.960 ppm2 8.854 CV 1 ASSI { 1673} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 60 and name HN )) 2.500 2.500 3.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.29758E-02 ppm1 0.825 ppm2 8.854 CV 1 OR { 1673} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 60 and name HN )) ASSI { 1677} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 55 and name HN )) 2.600 2.600 3.400 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 1.345 ppm2 9.343 CV 1 ASSI { 1678} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 56 and name HN )) 2.600 2.600 3.400 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 0.762 ppm2 8.726 CV 1 OR { 1678} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 56 and name HN )) ASSI { 1679} (( segid " " and resid 20 and name HN )) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 9.304 ppm2 8.868 CV 1 ASSI { 1681} (( segid " " and resid 97 and name HA )) (( segid " " and resid 20 and name HN )) 2.500 2.500 3.500 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.29059E-02 ppm1 4.512 ppm2 9.313 CV 1 ASSI { 1682} (( segid " " and resid 98 and name HA )) (( segid " " and resid 20 and name HN )) 2.200 2.200 3.800 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.69853E-02 ppm1 4.581 ppm2 9.313 CV 1 ASSI { 1687} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 9 and name HN )) 2.500 2.500 3.500 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.29758E-02 ppm1 2.263 ppm2 7.969 CV 1 ASSI { 1688} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.500 2.500 3.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.30386E-02 ppm1 2.360 ppm2 7.969 CV 1 ASSI { 1689} (( segid " " and resid 94 and name HA )) (( segid " " and resid 93 and name HN )) 2.400 2.400 3.600 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.42261E-02 ppm1 3.999 ppm2 8.482 CV 1 ASSI { 1690} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HN )) 2.600 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 1.299 ppm2 8.709 CV 1 ASSI { 1694} (( segid " " and resid 21 and name HA )) (( segid " " and resid 26 and name HE1 )) 2.400 2.400 3.600 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.42960E-02 ppm1 4.683 ppm2 9.910 CV 1 ASSI { 1695} (( segid " " and resid 24 and name HA )) (( segid " " and resid 26 and name HE1 )) 2.400 2.400 3.600 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.37092E-02 ppm1 4.294 ppm2 9.910 CV 1 ASSI { 1696} (( segid " " and resid 20 and name HA )) (( segid " " and resid 27 and name HN )) 2.500 2.500 3.500 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.31644E-02 ppm1 3.965 ppm2 9.138 CV 1 ASSI { 1697} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HN )) 2.400 2.400 3.600 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.38978E-02 ppm1 9.479 ppm2 7.612 CV 1 ASSI { 1700} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HN )) 2.400 2.400 3.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.38000E-02 ppm1 7.854 ppm2 8.126 CV 1 ASSI { 1701} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 2.400 2.400 3.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.38839E-02 ppm1 7.994 ppm2 8.126 CV 1 ASSI { 1702} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HN )) 2.600 2.600 3.400 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.25287E-02 ppm1 8.275 ppm2 8.126 CV 1 ASSI { 1704} (( segid " " and resid 18 and name HN )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 8.704 ppm2 8.832 CV 1 ASSI { 1709} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.400 2.400 3.600 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.40096E-02 ppm1 2.619 ppm2 9.126 CV 1 ASSI { 1711} (( segid " " and resid 5 and name HA )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.34019E-02 ppm1 4.231 ppm2 8.644 CV 1 ASSI { 1712} (( segid " " and resid 5 and name HA )) (( segid " " and resid 11 and name HN )) 2.500 2.500 3.500 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.33390E-02 ppm1 4.228 ppm2 8.272 CV 1 ASSI { 1713} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) 2.600 0.800 0.800 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.28151E-02 ppm1 1.232 ppm2 8.147 CV 1 ASSI { 1714} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) 2.500 2.500 3.500 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.31713E-02 ppm1 5.007 ppm2 8.856 CV 1 ASSI { 1715} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HN )) 2.700 2.700 3.300 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 8.868 ppm2 8.963 CV 1 ASSI { 1716} (( segid " " and resid 36 and name HN )) (( segid " " and resid 56 and name HN )) 2.500 2.500 3.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 8.259 ppm2 8.725 CV 1 ASSI { 1717} (( segid " " and resid 23 and name HA )) (( segid " " and resid 21 and name HN )) 2.400 2.400 3.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.43589E-02 ppm1 3.985 ppm2 9.125 CV 1 ASSI { 1718} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.400 2.400 3.600 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 1.919 ppm2 7.849 CV 1 ASSI { 1719} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 52 and name HN )) 2.600 2.600 3.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 1.767 ppm2 7.849 CV 1 ASSI { 1720} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 3.504 ppm2 9.138 CV 1 ASSI { 1721} (( segid " " and resid 5 and name HB )) (( segid " " and resid 11 and name HN )) 2.400 2.400 3.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.39747E-02 ppm1 3.641 ppm2 8.272 CV 1 ASSI { 1722} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 13 and name HN )) 2.500 2.500 3.500 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.32342E-02 ppm1 1.232 ppm2 8.176 CV 1 ASSI { 1723} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 13 and name HN )) 2.500 2.500 3.500 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.31155E-02 ppm1 0.813 ppm2 8.176 CV 1 ASSI { 1724} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 13 and name HN )) 2.600 0.800 0.800 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 0.892 ppm2 8.176 CV 1 ASSI { 1727} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.300 2.300 3.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.50853E-02 ppm1 3.500 ppm2 8.628 CV 1 ASSI { 1728} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 29 and name HN )) 2.500 2.500 3.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.33809E-02 ppm1 3.343 ppm2 8.628 CV 1 ASSI { 1730} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HN )) 2.600 2.600 3.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.28081E-02 ppm1 4.014 ppm2 8.860 CV 1 ASSI { 1732} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 50 and name HN )) 2.600 2.600 3.400 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.26754E-02 ppm1 0.913 ppm2 8.416 CV 1 OR { 1732} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 50 and name HN )) ASSI { 1733} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 0.978 ppm2 8.419 CV 1 ASSI { 1735} (( segid " " and resid 53 and name HA )) (( segid " " and resid 50 and name HN )) 2.600 2.600 3.400 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.28011E-02 ppm1 4.775 ppm2 8.421 CV 1 ASSI { 1736} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 36 and name HN )) 2.500 2.500 3.500 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.35835E-02 ppm1 4.220 ppm2 8.259 CV 1 ASSI { 1737} (( segid " " and resid 37 and name HA2 )) (( segid " " and resid 36 and name HN )) 2.500 2.500 3.500 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.33250E-02 ppm1 3.973 ppm2 8.259 CV 1 ASSI { 1738} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 99 and name HN )) 2.800 1.000 1.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 1.216 ppm2 8.850 CV 1 ASSI { 1739} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 21 and name HN )) 2.500 2.500 3.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.33530E-02 ppm1 6.774 ppm2 9.126 CV 1 ASSI { 1741} (( segid " " and resid 19 and name HG )) (( segid " " and resid 98 and name HN )) 2.600 2.600 3.400 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.26544E-02 ppm1 0.873 ppm2 8.875 CV 1 ASSI { 1742} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 98 and name HN )) 2.600 0.800 0.800 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.25147E-02 ppm1 1.141 ppm2 8.879 CV 1 ASSI { 1744} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 98 and name HN )) 2.500 0.800 0.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 1.667 ppm2 8.874 CV 1 ASSI { 1745} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 98 and name HN )) 2.600 2.600 3.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 1.848 ppm2 8.870 CV 1 ASSI { 1747} (( segid " " and resid 97 and name HB )) (( segid " " and resid 98 and name HN )) 2.500 0.800 0.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.31923E-02 ppm1 1.472 ppm2 8.870 CV 1 ASSI { 1748} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 20 and name HN )) 2.600 0.900 0.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.24728E-02 ppm1 0.697 ppm2 9.318 CV 1 ASSI { 1749} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 24 and name HE21)) 2.600 0.900 0.900 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 0.495 ppm2 7.307 CV 1 ASSI { 1750} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 24 and name HE21)) 2.600 2.600 3.400 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.24658E-02 ppm1 0.570 ppm2 7.307 CV 1 ASSI { 1751} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 26 and name HE1 )) 2.600 2.600 3.400 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.25147E-02 ppm1 0.499 ppm2 9.907 CV 1 ASSI { 1753} (( segid " " and resid 22 and name HG13)) (( segid " " and resid 26 and name HE1 )) 2.800 2.800 3.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 1.139 ppm2 9.909 CV 1 ASSI { 1754} (( segid " " and resid 22 and name HG12)) (( segid " " and resid 26 and name HE1 )) 2.800 1.000 1.000 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 1.700 ppm2 9.907 CV 1 ASSI { 1755} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 26 and name HE1 )) 2.600 0.900 0.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.574 ppm2 9.907 CV 1 ASSI { 1787} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 2.700 0.900 0.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 8.322 ppm2 8.471 CV 1
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