NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
531563 | 2l2a | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
flags include noe end set echo=on message=on end ASSI { 1} (( segid " " and resid 1520 and name HD22)) (( segid " " and resid 1520 and name HB1 )) 3.500 2.600 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.79143E-03 ppm1 9.681 ppm2 3.279 CV 1 ASSI { 2} (( segid " " and resid 1520 and name HD22)) (( segid " " and resid 1520 and name HB2 )) 3.600 2.700 1.400 peak 2 spectrum 1 weight 0.10000E+01 volume 0.76443E-03 ppm1 9.675 ppm2 2.480 CV 1 ASSI { 5} (( segid " " and resid 1615 and name HN )) (( segid " " and resid 1614 and name HA )) 2.800 0.700 0.700 peak 5 spectrum 1 weight 0.11000E+01 volume 0.33903E-02 ppm1 7.318 ppm2 4.479 CV 1 ASSI { 6} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1595 and name HA1 )) 2.800 0.700 0.700 peak 6 spectrum 1 weight 0.11000E+01 volume 0.35284E-02 ppm1 8.185 ppm2 4.380 CV 1 ASSI { 8} (( segid " " and resid 1517 and name HE22)) (( segid " " and resid 1516 and name HB2 )) 4.500 2.600 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.72813E-03 ppm1 7.248 ppm2 2.786 CV 1 ASSI { 9} (( segid " " and resid 1517 and name HE22)) (( segid " " and resid 1517 and name HG1 )) 3.900 1.900 1.900 peak 9 spectrum 1 weight 0.11000E+01 volume 0.21725E-02 ppm1 7.242 ppm2 2.357 CV 1 ASSI { 10} (( segid " " and resid 1517 and name HE22)) (( segid " " and resid 1517 and name HG2 )) 3.300 1.800 1.000 peak 10 spectrum 1 weight 0.11000E+01 volume 0.22942E-02 ppm1 7.244 ppm2 2.145 CV 1 ASSI { 12} (( segid " " and resid 1537 and name HN )) ( segid " " and resid 1536 and name HB% ) 3.300 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.67125E-02 ppm1 7.349 ppm2 1.364 CV 1 ASSI { 13} (( segid " " and resid 1537 and name HN )) (( segid " " and resid 1536 and name HA )) 3.500 1.500 1.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18597E-02 ppm1 7.350 ppm2 4.042 CV 1 ASSI { 14} (( segid " " and resid 1537 and name HN )) (( segid " " and resid 1537 and name HA1 )) 2.600 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.38311E-02 ppm1 7.349 ppm2 3.910 CV 1 OR { 14} (( segid " " and resid 1537 and name HN )) (( segid " " and resid 1537 and name HA2 )) ASSI { 16} (( segid " " and resid 1649 and name HN )) (( segid " " and resid 1648 and name HA )) 2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.22897E-01 ppm1 8.161 ppm2 4.420 CV 1 ASSI { 17} (( segid " " and resid 1589 and name HE22)) (( segid " " and resid 1589 and name HG2 )) 3.300 1.800 1.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 7.056 ppm2 2.153 CV 1 OR { 17} (( segid " " and resid 1589 and name HE22)) (( segid " " and resid 1589 and name HG1 )) ASSI { 18} (( segid " " and resid 1520 and name HD21)) (( segid " " and resid 1522 and name HB2 )) 4.200 1.300 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 7.272 ppm2 4.008 CV 1 OR { 18} (( segid " " and resid 1520 and name HD21)) (( segid " " and resid 1522 and name HB1 )) ASSI { 19} (( segid " " and resid 1520 and name HD21)) (( segid " " and resid 1520 and name HB2 )) 3.200 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 7.265 ppm2 2.501 CV 1 ASSI { 21} (( segid " " and resid 1520 and name HD21)) (( segid " " and resid 1520 and name HB1 )) 3.300 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.51077E-03 ppm1 7.271 ppm2 3.274 CV 1 ASSI { 22} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1640 and name HD1 )) 2.400 0.700 0.700 peak 22 spectrum 1 weight 0.11000E+01 volume 0.36501E-02 ppm1 9.748 ppm2 6.971 CV 1 ASSI { 23} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1640 and name HZ2 )) 2.700 0.900 0.900 peak 23 spectrum 1 weight 0.11000E+01 volume 0.22240E-02 ppm1 9.747 ppm2 6.795 CV 1 ASSI { 27} (( segid " " and resid 1640 and name HN )) (( segid " " and resid 1640 and name HB2 )) 3.800 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.70961E-03 ppm1 9.028 ppm2 2.345 CV 1 ASSI { 28} (( segid " " and resid 1640 and name HN )) (( segid " " and resid 1639 and name HB1 )) 4.500 2.500 1.500 peak 28 spectrum 1 weight 0.11000E+01 volume 0.14769E-02 ppm1 9.021 ppm2 3.724 CV 1 ASSI { 29} (( segid " " and resid 1640 and name HN )) ( segid " " and resid 1613 and name HG1%) 4.800 1.000 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.73985E-03 ppm1 9.025 ppm2 0.690 CV 1 ASSI { 30} (( segid " " and resid 1640 and name HN )) (( segid " " and resid 1613 and name HN )) 3.400 1.500 1.500 peak 30 spectrum 1 weight 0.11000E+01 volume 0.74160E-03 ppm1 9.025 ppm2 8.403 CV 1 ASSI { 31} (( segid " " and resid 1640 and name HN )) ( segid " " and resid 1612 and name HD1 ) 5.000 1.000 1.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.89612E-03 ppm1 9.025 ppm2 6.666 CV 1 OR { 31} (( segid " " and resid 1640 and name HN )) ( segid " " and resid 1612 and name HD2 ) ASSI { 32} (( segid " " and resid 1640 and name HN )) (( segid " " and resid 1639 and name HA )) 2.800 1.000 0.700 peak 32 spectrum 1 weight 0.11000E+01 volume 0.33309E-02 ppm1 9.024 ppm2 5.482 CV 1 ASSI { 33} (( segid " " and resid 1641 and name HN )) (( segid " " and resid 1640 and name HD1 )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.11000E+01 volume 0.13528E-02 ppm1 9.301 ppm2 6.980 CV 1 ASSI { 34} (( segid " " and resid 1641 and name HN )) (( segid " " and resid 1640 and name HA )) 2.700 0.900 0.900 peak 34 spectrum 1 weight 0.11000E+01 volume 0.14176E-02 ppm1 9.299 ppm2 4.924 CV 1 ASSI { 35} (( segid " " and resid 1641 and name HN )) (( segid " " and resid 1641 and name HA )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.11000E+01 volume 0.11029E-02 ppm1 9.300 ppm2 5.493 CV 1 ASSI { 36} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1578 and name HD22)) 3.400 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.99711E-03 ppm1 9.074 ppm2 8.152 CV 1 ASSI { 37} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1578 and name HD21)) 3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 9.074 ppm2 8.007 CV 1 ASSI { 38} (( segid " " and resid 1592 and name HN )) ( segid " " and resid 1592 and name HD% ) 3.800 1.800 1.800 peak 38 spectrum 1 weight 0.11000E+01 volume 0.78082E-03 ppm1 9.378 ppm2 6.891 CV 1 ASSI { 39} (( segid " " and resid 1592 and name HN )) (( segid " " and resid 1592 and name HA )) 3.200 3.200 2.800 peak 39 spectrum 1 weight 0.11000E+01 volume 0.10075E-02 ppm1 9.374 ppm2 5.246 CV 1 ASSI { 41} (( segid " " and resid 1592 and name HN )) (( segid " " and resid 1591 and name HA )) 2.800 0.800 0.700 peak 41 spectrum 1 weight 0.11000E+01 volume 0.33773E-02 ppm1 9.377 ppm2 5.013 CV 1 ASSI { 42} (( segid " " and resid 1592 and name HN )) (( segid " " and resid 1592 and name HB2 )) 3.300 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.84362E-03 ppm1 9.380 ppm2 2.924 CV 1 ASSI { 43} (( segid " " and resid 1592 and name HN )) (( segid " " and resid 1592 and name HB1 )) 3.900 1.900 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 9.373 ppm2 3.196 CV 1 ASSI { 46} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1647 and name HG2 )) 3.300 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.38888E-02 ppm1 9.023 ppm2 1.829 CV 1 ASSI { 47} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1647 and name HB1 )) 3.000 1.200 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.28896E-02 ppm1 9.023 ppm2 1.628 CV 1 OR { 47} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1647 and name HB2 )) ASSI { 49} (( segid " " and resid 1548 and name HN )) ( segid " " and resid 1540 and name HB% ) 3.900 1.500 1.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.91793E-03 ppm1 9.030 ppm2 1.297 CV 1 ASSI { 51} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1647 and name HA )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.31245E-02 ppm1 9.023 ppm2 4.270 CV 1 ASSI { 56} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1646 and name HB1 )) 3.500 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.27645E-02 ppm1 9.021 ppm2 3.344 CV 1 ASSI { 57} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1646 and name HB2 )) 3.300 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.25167E-02 ppm1 9.021 ppm2 3.099 CV 1 ASSI { 58} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1614 and name HB2 )) 5.000 1.000 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.61276E-03 ppm1 9.012 ppm2 2.890 CV 1 ASSI { 59} (( segid " " and resid 1548 and name HN )) (( segid " " and resid 1542 and name HB2 )) 4.100 1.000 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.57682E-03 ppm1 9.019 ppm2 2.738 CV 1 ASSI { 60} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1582 and name HA )) 3.300 1.400 1.400 peak 60 spectrum 1 weight 0.11000E+01 volume 0.81801E-03 ppm1 8.919 ppm2 5.091 CV 1 ASSI { 61} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1646 and name HA )) 2.800 0.700 0.800 peak 61 spectrum 1 weight 0.11000E+01 volume 0.50269E-02 ppm1 9.022 ppm2 4.956 CV 1 ASSI { 63} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1581 and name HA )) 2.600 0.800 0.800 peak 63 spectrum 1 weight 0.11000E+01 volume 0.27989E-02 ppm1 8.921 ppm2 4.631 CV 1 ASSI { 64} (( segid " " and resid 1548 and name HN )) (( segid " " and resid 1541 and name HA )) 4.100 2.100 1.900 peak 64 spectrum 1 weight 0.11000E+01 volume 0.14933E-02 ppm1 9.023 ppm2 4.605 CV 1 ASSI { 67} (( segid " " and resid 1647 and name HN )) (( segid " " and resid 1646 and name HN )) 4.000 2.000 2.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.14466E-02 ppm1 9.024 ppm2 7.609 CV 1 ASSI { 70} (( segid " " and resid 1548 and name HN )) ( segid " " and resid 1548 and name HG2%) 3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20289E-02 ppm1 9.022 ppm2 0.833 CV 1 ASSI { 72} (( segid " " and resid 1548 and name HN )) ( segid " " and resid 1547 and name HG1%) 4.000 2.000 2.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17402E-02 ppm1 9.024 ppm2 0.505 CV 1 ASSI { 76} (( segid " " and resid 1535 and name HN )) (( segid " " and resid 1535 and name HG1 )) 3.400 1.500 1.500 peak 76 spectrum 1 weight 0.11000E+01 volume 0.20906E-02 ppm1 8.814 ppm2 1.650 CV 1 OR { 76} (( segid " " and resid 1535 and name HN )) (( segid " " and resid 1535 and name HG2 )) ASSI { 77} (( segid " " and resid 1540 and name HN )) ( segid " " and resid 1540 and name HB% ) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 8.838 ppm2 1.299 CV 1 ASSI { 78} (( segid " " and resid 1540 and name HN )) ( segid " " and resid 1539 and name HG2%) 3.400 1.400 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.23124E-02 ppm1 8.841 ppm2 1.142 CV 1 ASSI { 82} (( segid " " and resid 1540 and name HN )) ( segid " " and resid 1547 and name HG2%) 4.000 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11139E-02 ppm1 8.841 ppm2 0.690 CV 1 ASSI { 86} (( segid " " and resid 1598 and name HN )) (( segid " " and resid 1597 and name HB1 )) 3.700 1.700 1.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.14936E-02 ppm1 8.406 ppm2 2.445 CV 1 ASSI { 92} (( segid " " and resid 1520 and name HD22)) (( segid " " and resid 1520 and name HD21)) 2.100 0.500 0.500 peak 92 spectrum 1 weight 0.11000E+01 volume 0.35350E-02 ppm1 9.683 ppm2 7.265 CV 1 ASSI { 93} (( segid " " and resid 1520 and name HD22)) ( segid " " and resid 1527 and name HE% ) 4.000 1.000 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.50800E-03 ppm1 9.682 ppm2 7.000 CV 1 ASSI { 95} (( segid " " and resid 1520 and name HD22)) (( segid " " and resid 1527 and name HZ )) 4.000 2.000 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.67428E-03 ppm1 9.690 ppm2 7.465 CV 1 ASSI { 100} (( segid " " and resid 1520 and name HD21)) (( segid " " and resid 1527 and name HZ )) 4.100 2.100 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.54134E-03 ppm1 7.281 ppm2 7.459 CV 1 ASSI { 104} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1538 and name HN )) 4.100 2.100 1.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.53742E-03 ppm1 7.074 ppm2 9.411 CV 1 ASSI { 105} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1556 and name HB1 )) 3.400 1.400 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.85000E-03 ppm1 7.071 ppm2 2.657 CV 1 ASSI { 106} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1537 and name HA2 )) 3.300 1.500 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.89862E-03 ppm1 7.074 ppm2 3.927 CV 1 OR { 106} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1537 and name HA1 )) ASSI { 107} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1556 and name HA )) 4.000 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 7.077 ppm2 5.531 CV 1 ASSI { 109} (( segid " " and resid 1556 and name HD22)) (( segid " " and resid 1556 and name HA )) 4.500 2.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.73807E-03 ppm1 7.934 ppm2 5.556 CV 1 ASSI { 110} (( segid " " and resid 1556 and name HD22)) (( segid " " and resid 1537 and name HA2 )) 3.300 1.500 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.91543E-03 ppm1 7.949 ppm2 3.920 CV 1 OR { 110} (( segid " " and resid 1556 and name HD22)) (( segid " " and resid 1537 and name HA1 )) ASSI { 112} (( segid " " and resid 1556 and name HD22)) (( segid " " and resid 1556 and name HB2 )) 4.000 2.700 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.55103E-03 ppm1 7.960 ppm2 2.148 CV 1 ASSI { 113} (( segid " " and resid 1556 and name HD21)) (( segid " " and resid 1556 and name HD22)) 2.100 0.600 0.600 peak 113 spectrum 1 weight 0.11000E+01 volume 0.22531E-02 ppm1 7.079 ppm2 7.943 CV 1 ASSI { 117} (( segid " " and resid 1558 and name HD22)) (( segid " " and resid 1558 and name HN )) 3.700 1.800 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.16508E-02 ppm1 7.635 ppm2 8.531 CV 1 ASSI { 118} (( segid " " and resid 1558 and name HD21)) (( segid " " and resid 1558 and name HB1 )) 3.300 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 7.218 ppm2 2.218 CV 1 ASSI { 121} (( segid " " and resid 1558 and name HD22)) (( segid " " and resid 1558 and name HA )) 4.000 1.000 1.200 peak 121 spectrum 1 weight 0.10000E+01 volume 0.80208E-03 ppm1 7.628 ppm2 4.489 CV 1 ASSI { 122} (( segid " " and resid 1558 and name HD22)) (( segid " " and resid 1558 and name HB1 )) 4.000 2.000 2.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.18776E-02 ppm1 7.636 ppm2 2.186 CV 1 ASSI { 124} (( segid " " and resid 1558 and name HD22)) (( segid " " and resid 1557 and name HG1 )) 4.000 1.600 1.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.93160E-03 ppm1 7.635 ppm2 1.815 CV 1 ASSI { 126} (( segid " " and resid 1558 and name HD22)) (( segid " " and resid 1558 and name HD21)) 2.000 0.500 0.500 peak 126 spectrum 1 weight 0.11000E+01 volume 0.50497E-02 ppm1 7.637 ppm2 7.223 CV 1 ASSI { 132} (( segid " " and resid 1578 and name HD21)) (( segid " " and resid 1578 and name HD22)) 2.500 0.800 0.500 peak 132 spectrum 1 weight 0.11000E+01 volume 0.36772E-02 ppm1 8.016 ppm2 8.147 CV 1 ASSI { 134} (( segid " " and resid 1578 and name HD21)) (( segid " " and resid 1593 and name HN )) 3.500 1.900 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.66177E-03 ppm1 8.008 ppm2 9.078 CV 1 ASSI { 136} (( segid " " and resid 1578 and name HD22)) ( segid " " and resid 1592 and name HD1 ) 4.300 2.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.72803E-03 ppm1 8.152 ppm2 6.875 CV 1 OR { 136} (( segid " " and resid 1578 and name HD22)) ( segid " " and resid 1592 and name HD2 ) ASSI { 137} (( segid " " and resid 1578 and name HD21)) ( segid " " and resid 1592 and name HD1 ) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10903E-02 ppm1 8.019 ppm2 6.878 CV 1 OR { 137} (( segid " " and resid 1578 and name HD21)) ( segid " " and resid 1592 and name HD2 ) ASSI { 138} (( segid " " and resid 1578 and name HD21)) (( segid " " and resid 1592 and name HA )) 3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10064E-02 ppm1 8.004 ppm2 5.288 CV 1 ASSI { 139} (( segid " " and resid 1578 and name HD22)) (( segid " " and resid 1592 and name HA )) 4.000 2.000 2.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.69633E-03 ppm1 8.144 ppm2 5.267 CV 1 ASSI { 140} (( segid " " and resid 1578 and name HD22)) (( segid " " and resid 1578 and name HB1 )) 4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.16834E-02 ppm1 8.149 ppm2 3.027 CV 1 ASSI { 141} (( segid " " and resid 1578 and name HD21)) (( segid " " and resid 1578 and name HB1 )) 3.400 1.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12776E-02 ppm1 8.013 ppm2 3.025 CV 1 ASSI { 143} (( segid " " and resid 1622 and name HD21)) (( segid " " and resid 1622 and name HD22)) 1.700 0.300 0.500 peak 143 spectrum 1 weight 0.11000E+01 volume 0.12932E-01 ppm1 7.186 ppm2 8.002 CV 1 ASSI { 144} (( segid " " and resid 1622 and name HD21)) (( segid " " and resid 1622 and name HB1 )) 3.200 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 7.186 ppm2 3.311 CV 1 ASSI { 145} (( segid " " and resid 1622 and name HD21)) (( segid " " and resid 1622 and name HB2 )) 3.600 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 7.191 ppm2 3.176 CV 1 ASSI { 146} (( segid " " and resid 1622 and name HD22)) (( segid " " and resid 1622 and name HB1 )) 3.300 1.800 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.22554E-02 ppm1 8.001 ppm2 3.303 CV 1 ASSI { 147} (( segid " " and resid 1622 and name HD22)) (( segid " " and resid 1622 and name HB2 )) 3.300 1.900 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.24757E-02 ppm1 8.000 ppm2 3.178 CV 1 ASSI { 150} (( segid " " and resid 1622 and name HD21)) (( segid " " and resid 1622 and name HA )) 3.800 1.900 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.68037E-03 ppm1 7.181 ppm2 5.134 CV 1 ASSI { 152} (( segid " " and resid 1622 and name HD22)) ( segid " " and resid 1618 and name HB% ) 3.600 1.600 1.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11616E-02 ppm1 8.005 ppm2 1.526 CV 1 ASSI { 153} (( segid " " and resid 1622 and name HD21)) ( segid " " and resid 1618 and name HB% ) 4.100 2.100 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.86948E-03 ppm1 7.185 ppm2 1.521 CV 1 ASSI { 156} (( segid " " and resid 1632 and name HE22)) (( segid " " and resid 1632 and name HE21)) 2.200 0.500 1.000 peak 156 spectrum 1 weight 0.11000E+01 volume 0.18793E+00 ppm1 7.670 ppm2 6.958 CV 1 ASSI { 160} (( segid " " and resid 1632 and name HE22)) (( segid " " and resid 1632 and name HN )) 3.700 1.700 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17428E-02 ppm1 7.669 ppm2 8.398 CV 1 ASSI { 161} (( segid " " and resid 1632 and name HE21)) (( segid " " and resid 1632 and name HN )) 3.600 1.100 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.84903E-03 ppm1 6.958 ppm2 8.400 CV 1 ASSI { 173} (( segid " " and resid 1632 and name HE21)) (( segid " " and resid 1632 and name HG2 )) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.11000E+01 volume 0.27229E-02 ppm1 6.957 ppm2 2.504 CV 1 OR { 173} (( segid " " and resid 1632 and name HE21)) (( segid " " and resid 1632 and name HG1 )) ASSI { 174} (( segid " " and resid 1632 and name HE21)) (( segid " " and resid 1632 and name HB1 )) 2.800 0.800 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.15330E-02 ppm1 6.956 ppm2 2.350 CV 1 ASSI { 178} (( segid " " and resid 1632 and name HE22)) (( segid " " and resid 1632 and name HG2 )) 3.500 1.500 1.500 peak 178 spectrum 1 weight 0.11000E+01 volume 0.39258E-02 ppm1 7.669 ppm2 2.513 CV 1 OR { 178} (( segid " " and resid 1632 and name HE22)) (( segid " " and resid 1632 and name HG1 )) ASSI { 179} (( segid " " and resid 1632 and name HE22)) (( segid " " and resid 1632 and name HB1 )) 3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22353E-02 ppm1 7.670 ppm2 2.354 CV 1 ASSI { 181} (( segid " " and resid 1640 and name HD1)) (( segid " " and resid 1642 and name HG2%)) 4.500 2.500 1.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.83283E-03 ppm1 7.673 ppm2 1.946 CV 1 ASSI { 184} (( segid " " and resid 1511 and name HD22)) (( segid " " and resid 1511 and name HD21)) 1.500 0.300 0.700 peak 184 spectrum 1 weight 0.11000E+01 volume 0.32559E-01 ppm1 7.736 ppm2 6.984 CV 1 ASSI { 189} (( segid " " and resid 1511 and name HD22)) (( segid " " and resid 1511 and name HB2 )) 2.800 1.000 1.500 peak 189 spectrum 1 weight 0.11000E+01 volume 0.52167E-02 ppm1 7.736 ppm2 2.916 CV 1 OR { 189} (( segid " " and resid 1511 and name HD22)) (( segid " " and resid 1511 and name HB1 )) ASSI { 190} (( segid " " and resid 1511 and name HD21)) (( segid " " and resid 1511 and name HB1 )) 2.800 1.000 1.000 peak 190 spectrum 1 weight 0.11000E+01 volume 0.36615E-02 ppm1 6.983 ppm2 2.920 CV 1 ASSI { 194} (( segid " " and resid 1517 and name HE21)) (( segid " " and resid 1517 and name HG1 )) 3.600 1.400 1.400 peak 194 spectrum 1 weight 0.11000E+01 volume 0.15381E-02 ppm1 6.720 ppm2 2.356 CV 1 ASSI { 195} (( segid " " and resid 1517 and name HE21)) (( segid " " and resid 1515 and name HB2 )) 4.000 2.000 2.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.95287E-03 ppm1 6.716 ppm2 2.795 CV 1 ASSI { 196} (( segid " " and resid 1589 and name HE21)) ( segid " " and resid 1587 and name HG1%) 3.500 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31206E-02 ppm1 6.730 ppm2 0.930 CV 1 OR { 196} (( segid " " and resid 1589 and name HE21)) ( segid " " and resid 1587 and name HG2%) ASSI { 200} (( segid " " and resid 1517 and name HE22)) (( segid " " and resid 1517 and name HE21)) 2.200 0.500 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.24977E-01 ppm1 7.243 ppm2 6.720 CV 1 ASSI { 202} (( segid " " and resid 1589 and name HE21)) (( segid " " and resid 1589 and name HE22)) 2.800 1.000 0.500 peak 202 spectrum 1 weight 0.11000E+01 volume 0.12575E-01 ppm1 6.730 ppm2 7.057 CV 1 ASSI { 204} (( segid " " and resid 1589 and name HE21)) (( segid " " and resid 1589 and name HA )) 4.300 2.300 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.61133E-03 ppm1 6.724 ppm2 5.999 CV 1 ASSI { 199} (( segid " " and resid 1517 and name HE22)) ( segid " " and resid 1526 and name HD2%) 4.500 0.800 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.96227E-03 ppm1 7.243 ppm2 0.683 CV 1 ASSI { 209} (( segid " " and resid 1517 and name HE22)) ( segid " " and resid 1526 and name HD1%) 4.700 1.700 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.96227E-03 ppm1 7.243 ppm2 0.683 CV 1 ASSI { 211} (( segid " " and resid 1619 and name HN )) (( segid " " and resid 1618 and name HA )) 3.300 1.400 1.000 peak 211 spectrum 1 weight 0.11000E+01 volume 0.86171E-03 ppm1 8.191 ppm2 4.418 CV 1 ASSI { 213} (( segid " " and resid 1569 and name HN )) (( segid " " and resid 1569 and name HB1 )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.18677E-02 ppm1 9.119 ppm2 2.445 CV 1 ASSI { 214} (( segid " " and resid 1569 and name HN )) (( segid " " and resid 1569 and name HG2 )) 4.200 2.200 1.800 peak 214 spectrum 1 weight 0.11000E+01 volume 0.19084E-02 ppm1 9.116 ppm2 2.514 CV 1 ASSI { 215} (( segid " " and resid 1569 and name HN )) (( segid " " and resid 1569 and name HB2 )) 2.900 1.100 1.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 9.121 ppm2 2.326 CV 1 ASSI { 216} (( segid " " and resid 1569 and name HN )) (( segid " " and resid 1569 and name HA )) 2.600 0.900 0.900 peak 216 spectrum 1 weight 0.11000E+01 volume 0.43771E-02 ppm1 9.119 ppm2 4.139 CV 1 ASSI { 217} (( segid " " and resid 1511 and name HD22)) (( segid " " and resid 1510 and name HN )) 4.800 1.800 1.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.77797E-03 ppm1 7.672 ppm2 8.630 CV 1 ASSI { 219} (( segid " " and resid 1536 and name HN )) ( segid " " and resid 1536 and name HB% ) 2.800 0.600 0.600 peak 219 spectrum 1 weight 0.11000E+01 volume 0.14771E-01 ppm1 8.402 ppm2 1.364 CV 1 ASSI { 220} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1535 and name HB1 )) 2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.35288E-02 ppm1 8.404 ppm2 1.798 CV 1 OR { 220} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1535 and name HB2 )) ASSI { 221} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1537 and name HN )) 2.500 0.800 0.800 peak 221 spectrum 1 weight 0.11000E+01 volume 0.37281E-02 ppm1 8.403 ppm2 7.348 CV 1 ASSI { 222} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1535 and name HN )) 3.000 1.600 1.000 peak 222 spectrum 1 weight 0.11000E+01 volume 0.14949E-02 ppm1 8.403 ppm2 8.799 CV 1 ASSI { 223} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1536 and name HA )) 2.800 1.000 1.000 peak 223 spectrum 1 weight 0.11000E+01 volume 0.46632E-02 ppm1 8.402 ppm2 4.046 CV 1 ASSI { 225} (( segid " " and resid 1598 and name HN )) (( segid " " and resid 1605 and name HA )) 3.300 1.500 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12735E-02 ppm1 8.407 ppm2 4.967 CV 1 ASSI { 226} (( segid " " and resid 1598 and name HN )) (( segid " " and resid 1598 and name HA )) 3.300 1.400 1.400 peak 226 spectrum 1 weight 0.11000E+01 volume 0.10559E-02 ppm1 8.413 ppm2 4.684 CV 1 ASSI { 228} (( segid " " and resid 1598 and name HN )) (( segid " " and resid 1598 and name HB1 )) 3.100 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.19842E-02 ppm1 8.411 ppm2 2.770 CV 1 ASSI { 231} (( segid " " and resid 1519 and name HN )) ( segid " " and resid 1519 and name HG2%) 3.600 1.000 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.28496E-02 ppm1 7.905 ppm2 0.915 CV 1 ASSI { 234} (( segid " " and resid 1519 and name HN )) (( segid " " and resid 1518 and name HB )) 3.800 1.600 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 7.906 ppm2 2.300 CV 1 ASSI { 235} (( segid " " and resid 1519 and name HN )) (( segid " " and resid 1519 and name HB )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.11000E+01 volume 0.22930E-02 ppm1 7.907 ppm2 3.721 CV 1 ASSI { 236} (( segid " " and resid 1519 and name HN )) (( segid " " and resid 1518 and name HA )) 2.400 0.700 0.700 peak 236 spectrum 1 weight 0.11000E+01 volume 0.47708E-02 ppm1 7.902 ppm2 4.479 CV 1 ASSI { 239} (( segid " " and resid 1516 and name HN )) (( segid " " and resid 1515 and name HA )) 3.500 1.500 1.000 peak 239 spectrum 1 weight 0.11000E+01 volume 0.79553E-03 ppm1 9.787 ppm2 4.571 CV 1 ASSI { 240} (( segid " " and resid 1516 and name HN )) (( segid " " and resid 1516 and name HA )) 3.300 1.500 1.000 peak 240 spectrum 1 weight 0.11000E+01 volume 0.10049E-02 ppm1 9.782 ppm2 4.060 CV 1 ASSI { 241} (( segid " " and resid 1516 and name HN )) (( segid " " and resid 1517 and name HG2 )) 4.000 2.000 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.63509E-03 ppm1 9.779 ppm2 2.091 CV 1 ASSI { 243} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1515 and name HA )) 4.000 1.900 1.000 peak 243 spectrum 1 weight 0.11000E+01 volume 0.64514E-03 ppm1 7.798 ppm2 4.595 CV 1 ASSI { 244} (( segid " " and resid 1514 and name HN )) (( segid " " and resid 1514 and name HA )) 3.000 1.100 1.100 peak 244 spectrum 1 weight 0.11000E+01 volume 0.30436E-02 ppm1 8.340 ppm2 4.743 CV 1 ASSI { 245} (( segid " " and resid 1606 and name HN )) (( segid " " and resid 1607 and name HA )) 3.300 1.000 1.000 peak 245 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 8.767 ppm2 5.196 CV 1 ASSI { 246} (( segid " " and resid 1511 and name HN )) (( segid " " and resid 1511 and name HA )) 2.900 1.100 1.100 peak 246 spectrum 1 weight 0.11000E+01 volume 0.26737E-02 ppm1 8.764 ppm2 4.967 CV 1 ASSI { 247} (( segid " " and resid 1511 and name HN )) (( segid " " and resid 1510 and name HA )) 2.800 1.100 1.100 peak 247 spectrum 1 weight 0.11000E+01 volume 0.24403E-02 ppm1 8.757 ppm2 4.789 CV 1 ASSI { 249} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1527 and name HA )) 2.200 0.600 0.600 peak 249 spectrum 1 weight 0.11000E+01 volume 0.37712E-02 ppm1 8.481 ppm2 4.747 CV 1 ASSI { 250} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1636 and name HA )) 2.300 0.700 0.700 peak 250 spectrum 1 weight 0.11000E+01 volume 0.21168E-02 ppm1 8.574 ppm2 4.675 CV 1 ASSI { 251} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1528 and name HA )) 2.900 1.000 1.000 peak 251 spectrum 1 weight 0.11000E+01 volume 0.13811E-02 ppm1 8.484 ppm2 5.098 CV 1 ASSI { 252} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1629 and name HA )) 3.300 1.500 1.100 peak 252 spectrum 1 weight 0.11000E+01 volume 0.13450E-02 ppm1 8.578 ppm2 5.068 CV 1 ASSI { 253} (( segid " " and resid 1520 and name HN )) (( segid " " and resid 1519 and name HA )) 2.500 0.600 0.800 peak 253 spectrum 1 weight 0.11000E+01 volume 0.36847E-02 ppm1 8.223 ppm2 5.568 CV 1 ASSI { 256} (( segid " " and resid 1513 and name HN )) (( segid " " and resid 1512 and name HG1 )) 4.000 2.200 1.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 8.718 ppm2 2.233 CV 1 OR { 256} (( segid " " and resid 1513 and name HN )) (( segid " " and resid 1512 and name HG2 )) ASSI { 260} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1511 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 8.325 ppm2 4.949 CV 1 ASSI { 262} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1512 and name HG1 )) 3.000 1.200 1.200 peak 262 spectrum 1 weight 0.10000E+01 volume 0.34493E-02 ppm1 8.325 ppm2 2.224 CV 1 OR { 262} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1512 and name HG2 )) ASSI { 264} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1511 and name HB2 )) 3.400 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.23718E-02 ppm1 8.327 ppm2 2.912 CV 1 OR { 264} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1511 and name HB1 )) ASSI { 265} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1512 and name HB1 )) 3.300 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.32548E-02 ppm1 8.334 ppm2 2.023 CV 1 ASSI { 266} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1512 and name HB2 )) 2.800 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.42339E-02 ppm1 8.318 ppm2 1.953 CV 1 ASSI { 267} (( segid " " and resid 1512 and name HN )) (( segid " " and resid 1512 and name HA )) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.11000E+01 volume 0.20558E-02 ppm1 8.330 ppm2 4.722 CV 1 ASSI { 268} (( segid " " and resid 1511 and name HN )) (( segid " " and resid 1510 and name HB1 )) 3.800 1.000 1.600 peak 268 spectrum 1 weight 0.11000E+01 volume 0.18145E-02 ppm1 8.761 ppm2 4.019 CV 1 ASSI { 269} (( segid " " and resid 1511 and name HN )) (( segid " " and resid 1510 and name HB2 )) 4.000 1.700 1.700 peak 269 spectrum 1 weight 0.11000E+01 volume 0.17350E-02 ppm1 8.757 ppm2 3.953 CV 1 ASSI { 270} (( segid " " and resid 1511 and name HN )) (( segid " " and resid 1510 and name HB1 )) 4.000 1.400 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.16269E-02 ppm1 8.764 ppm2 3.893 CV 1 ASSI { 271} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1531 and name HB1 )) 4.000 2.000 2.000 peak 271 spectrum 1 weight 0.11000E+01 volume 0.17711E-02 ppm1 9.038 ppm2 4.069 CV 1 ASSI { 272} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1530 and name HB1 )) 2.600 0.800 0.800 peak 272 spectrum 1 weight 0.11000E+01 volume 0.29561E-02 ppm1 9.035 ppm2 3.980 CV 1 OR { 272} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1530 and name HB2 )) ASSI { 273} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1528 and name HA )) 4.000 2.200 1.000 peak 273 spectrum 1 weight 0.11000E+01 volume 0.94810E-03 ppm1 9.034 ppm2 5.089 CV 1 ASSI { 274} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1529 and name HA )) 3.500 1.800 1.800 peak 274 spectrum 1 weight 0.11000E+01 volume 0.10087E-02 ppm1 9.040 ppm2 4.428 CV 1 ASSI { 275} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1529 and name HN )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.11000E+01 volume 0.25916E-02 ppm1 9.037 ppm2 8.356 CV 1 ASSI { 277} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1516 and name HB2 )) 4.400 2.400 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.82670E-03 ppm1 9.030 ppm2 2.755 CV 1 ASSI { 279} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1529 and name HB2 )) 3.600 0.700 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.95921E-03 ppm1 9.039 ppm2 1.327 CV 1 ASSI { 280} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1529 and name HG )) 4.300 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.94258E-03 ppm1 9.036 ppm2 1.000 CV 1 ASSI { 283} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1559 and name HA )) 2.800 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.21634E-02 ppm1 7.637 ppm2 5.282 CV 1 ASSI { 284} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1557 and name HA )) 4.400 2.400 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 7.633 ppm2 4.175 CV 1 ASSI { 285} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1558 and name HA )) 3.200 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.19936E-02 ppm1 7.638 ppm2 4.478 CV 1 ASSI { 286} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1633 and name HN )) 2.500 0.700 0.500 peak 286 spectrum 1 weight 0.11000E+01 volume 0.48210E-02 ppm1 8.042 ppm2 7.205 CV 1 ASSI { 287} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1635 and name HN )) 3.000 1.000 1.000 peak 287 spectrum 1 weight 0.11000E+01 volume 0.24517E-02 ppm1 8.039 ppm2 7.522 CV 1 ASSI { 289} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1553 and name HA )) 2.600 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 6.995 ppm2 4.555 CV 1 ASSI { 291} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1554 and name HA2 )) 2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.29514E-02 ppm1 6.996 ppm2 3.716 CV 1 ASSI { 293} (( segid " " and resid 1554 and name HN )) ( segid " " and resid 1577 and name HB% ) 4.500 1.800 1.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.36886E-02 ppm1 6.995 ppm2 0.667 CV 1 ASSI { 294} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1553 and name HN )) 3.800 1.800 1.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.24410E-02 ppm1 6.997 ppm2 8.213 CV 1 ASSI { 295} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1555 and name HN )) 4.700 2.800 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.14341E-02 ppm1 6.997 ppm2 7.914 CV 1 ASSI { 296} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1579 and name HD1 )) 4.700 2.800 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10369E-02 ppm1 6.998 ppm2 1.810 CV 1 OR { 296} (( segid " " and resid 1554 and name HN )) (( segid " " and resid 1579 and name HD2 )) ASSI { 298} (( segid " " and resid 1537 and name HN )) (( segid " " and resid 1538 and name HN )) 4.600 2.700 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12780E-02 ppm1 7.350 ppm2 9.357 CV 1 ASSI { 303} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HN )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.35372E-02 ppm1 7.207 ppm2 8.512 CV 1 ASSI { 306} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HA )) 3.700 1.700 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 7.207 ppm2 4.225 CV 1 ASSI { 307} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1631 and name HA )) 4.500 2.500 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 7.209 ppm2 3.967 CV 1 ASSI { 309} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HG2 )) 4.000 1.500 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 7.207 ppm2 2.479 CV 1 OR { 309} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HG1 )) ASSI { 310} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HB2 )) 3.300 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.18892E-02 ppm1 7.209 ppm2 2.391 CV 1 ASSI { 311} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1632 and name HB2 )) 3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.12865E-02 ppm1 7.201 ppm2 2.236 CV 1 ASSI { 315} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1605 and name HB1 )) 4.000 1.000 1.000 peak 315 spectrum 1 weight 0.11000E+01 volume 0.81787E-03 ppm1 8.183 ppm2 3.730 CV 1 ASSI { 316} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1595 and name HA2 )) 3.000 1.100 0.800 peak 316 spectrum 1 weight 0.11000E+01 volume 0.17789E-02 ppm1 8.182 ppm2 3.561 CV 1 ASSI { 320} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1573 and name HG )) 4.000 2.200 1.500 peak 320 spectrum 1 weight 0.11000E+01 volume 0.78794E-03 ppm1 8.192 ppm2 6.166 CV 1 ASSI { 321} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1594 and name HN )) 3.000 1.200 1.000 peak 321 spectrum 1 weight 0.11000E+01 volume 0.27784E-02 ppm1 8.184 ppm2 9.231 CV 1 ASSI { 322} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1606 and name HN )) 3.800 1.800 1.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.10318E-02 ppm1 8.182 ppm2 8.830 CV 1 ASSI { 324} (( segid " " and resid 1586 and name HN )) (( segid " " and resid 1586 and name HG2 )) 3.000 1.400 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 6.612 ppm2 2.362 CV 1 OR { 324} (( segid " " and resid 1586 and name HN )) (( segid " " and resid 1586 and name HB2 )) ASSI { 330} (( segid " " and resid 1586 and name HN )) (( segid " " and resid 1585 and name HN )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.13445E-02 ppm1 6.612 ppm2 9.033 CV 1 ASSI { 331} (( segid " " and resid 1633 and name HN )) (( segid " " and resid 1635 and name HN )) 4.000 2.200 2.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.83190E-03 ppm1 7.210 ppm2 7.517 CV 1 ASSI { 332} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1524 and name HA1 )) 4.600 2.600 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 6.807 ppm2 4.222 CV 1 ASSI { 333} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1573 and name HG )) 3.300 0.800 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15331E-02 ppm1 7.814 ppm2 6.152 CV 1 ASSI { 334} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1575 and name HA1 )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.11000E+01 volume 0.14160E-02 ppm1 7.814 ppm2 4.703 CV 1 ASSI { 335} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1575 and name HA2 )) 2.800 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 7.818 ppm2 3.036 CV 1 ASSI { 338} (( segid " " and resid 1575 and name HN )) ( segid " " and resid 1563 and name HG2%) 4.000 0.500 1.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.88451E-03 ppm1 7.811 ppm2 0.935 CV 1 ASSI { 340} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1574 and name HN )) 2.800 1.000 1.300 peak 340 spectrum 1 weight 0.11000E+01 volume 0.23975E-02 ppm1 7.820 ppm2 8.990 CV 1 ASSI { 341} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1596 and name HN )) 4.500 2.500 1.300 peak 341 spectrum 1 weight 0.11000E+01 volume 0.93036E-03 ppm1 7.822 ppm2 8.827 CV 1 ASSI { 342} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1525 and name HN )) 3.800 1.000 1.500 peak 342 spectrum 1 weight 0.11000E+01 volume 0.12720E-02 ppm1 6.810 ppm2 7.910 CV 1 ASSI { 344} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1524 and name HA2 )) 4.600 2.600 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.13896E-02 ppm1 6.807 ppm2 3.588 CV 1 ASSI { 352} (( segid " " and resid 1568 and name HN )) (( segid " " and resid 1567 and name HA )) 2.100 0.600 0.600 peak 352 spectrum 1 weight 0.11000E+01 volume 0.24790E-02 ppm1 9.049 ppm2 5.204 CV 1 ASSI { 353} (( segid " " and resid 1568 and name HN )) (( segid " " and resid 1568 and name HA1 )) 2.500 0.800 0.800 peak 353 spectrum 1 weight 0.11000E+01 volume 0.25933E-02 ppm1 9.052 ppm2 4.181 CV 1 OR { 353} (( segid " " and resid 1568 and name HN )) (( segid " " and resid 1568 and name HA2 )) ASSI { 355} (( segid " " and resid 1568 and name HN )) (( segid " " and resid 1567 and name HB1 )) 3.300 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 9.053 ppm2 3.198 CV 1 ASSI { 357} (( segid " " and resid 1568 and name HN )) ( segid " " and resid 1547 and name HG1%) 4.200 2.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.94350E-03 ppm1 9.055 ppm2 0.505 CV 1 ASSI { 358} (( segid " " and resid 1534 and name HN )) (( segid " " and resid 1533 and name HA )) 3.200 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 9.127 ppm2 4.948 CV 1 ASSI { 359} (( segid " " and resid 1534 and name HN )) (( segid " " and resid 1534 and name HA1 )) 3.300 1.400 1.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.97007E-03 ppm1 9.123 ppm2 4.857 CV 1 ASSI { 360} (( segid " " and resid 1534 and name HN )) (( segid " " and resid 1533 and name HB1 )) 3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17094E-02 ppm1 9.130 ppm2 4.213 CV 1 ASSI { 362} (( segid " " and resid 1534 and name HN )) (( segid " " and resid 1534 and name HA2 )) 3.000 1.400 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.15682E-02 ppm1 9.128 ppm2 3.868 CV 1 ASSI { 363} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1626 and name HA )) 4.000 1.300 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 7.530 ppm2 4.151 CV 1 ASSI { 365} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1620 and name HB1 )) 4.000 2.200 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.11236E-02 ppm1 8.167 ppm2 2.443 CV 1 ASSI { 366} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1620 and name HB2 )) 3.600 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.28509E-02 ppm1 8.165 ppm2 2.114 CV 1 OR { 366} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1620 and name HG1 )) ASSI { 369} (( segid " " and resid 1524 and name HN )) ( segid " " and resid 1519 and name HG2%) 4.200 1.000 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 8.705 ppm2 0.913 CV 1 ASSI { 370} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1627 and name HB )) 2.900 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.35632E-02 ppm1 7.533 ppm2 1.929 CV 1 ASSI { 371} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1627 and name HG11)) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.24468E-02 ppm1 7.533 ppm2 1.425 CV 1 OR { 371} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1627 and name HG12)) ASSI { 372} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1626 and name HG )) 3.600 1.100 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 7.531 ppm2 1.080 CV 1 OR { 372} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1626 and name HB2 )) ASSI { 374} (( segid " " and resid 1628 and name HN )) ( segid " " and resid 1627 and name HD1%) 4.500 2.500 1.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 7.534 ppm2 0.779 CV 1 ASSI { 376} (( segid " " and resid 1635 and name HN )) ( segid " " and resid 1635 and name HG2%) 3.800 1.800 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 7.522 ppm2 0.333 CV 1 ASSI { 377} (( segid " " and resid 1628 and name HN )) ( segid " " and resid 1626 and name HD1%) 3.300 1.500 1.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 7.535 ppm2 0.173 CV 1 ASSI { 380} (( segid " " and resid 1524 and name HN )) (( segid " " and resid 1524 and name HA1 )) 3.000 1.100 1.100 peak 380 spectrum 1 weight 0.11000E+01 volume 0.32750E-02 ppm1 8.709 ppm2 4.234 CV 1 ASSI { 381} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1620 and name HA )) 3.100 0.800 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.30704E-02 ppm1 8.165 ppm2 4.623 CV 1 ASSI { 382} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1621 and name HA )) 2.800 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.37805E-02 ppm1 8.165 ppm2 4.478 CV 1 ASSI { 383} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1545 and name HB1 )) 3.700 1.700 1.700 peak 383 spectrum 1 weight 0.11000E+01 volume 0.10851E-02 ppm1 8.221 ppm2 3.911 CV 1 ASSI { 384} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1545 and name HB2 )) 2.800 1.100 1.100 peak 384 spectrum 1 weight 0.11000E+01 volume 0.13300E-02 ppm1 8.223 ppm2 3.826 CV 1 ASSI { 385} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1620 and name HD1 )) 4.000 2.200 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.96202E-03 ppm1 8.162 ppm2 3.829 CV 1 ASSI { 386} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1545 and name HB1 )) 3.800 1.600 1.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 7.787 ppm2 3.900 CV 1 ASSI { 387} (( segid " " and resid 1524 and name HN )) (( segid " " and resid 1522 and name HN )) 3.300 1.400 1.000 peak 387 spectrum 1 weight 0.11000E+01 volume 0.15288E-02 ppm1 8.708 ppm2 8.124 CV 1 ASSI { 389} (( segid " " and resid 1524 and name HN )) (( segid " " and resid 1523 and name HN )) 2.200 0.400 0.500 peak 389 spectrum 1 weight 0.11000E+01 volume 0.52246E-02 ppm1 8.708 ppm2 6.811 CV 1 ASSI { 392} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1523 and name HN )) 2.800 0.600 0.600 peak 392 spectrum 1 weight 0.11000E+01 volume 0.40277E-02 ppm1 8.123 ppm2 6.809 CV 1 ASSI { 397} (( segid " " and resid 1562 and name HN )) (( segid " " and resid 1561 and name HB2 )) 3.500 1.900 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 9.363 ppm2 1.877 CV 1 OR { 397} (( segid " " and resid 1562 and name HN )) (( segid " " and resid 1561 and name HB1 )) ASSI { 398} (( segid " " and resid 1562 and name HN )) (( segid " " and resid 1555 and name HB1 )) 3.800 1.800 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 9.361 ppm2 1.585 CV 1 OR { 398} (( segid " " and resid 1562 and name HN )) (( segid " " and resid 1555 and name HB2 )) ASSI { 400} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1521 and name HB2 )) 4.000 2.300 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 8.128 ppm2 2.400 CV 1 OR { 400} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1521 and name HB1 )) ASSI { 401} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1545 and name HA )) 3.000 1.000 1.000 peak 401 spectrum 1 weight 0.11000E+01 volume 0.12782E-02 ppm1 8.217 ppm2 4.661 CV 1 ASSI { 404} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1544 and name HA )) 3.800 1.800 1.500 peak 404 spectrum 1 weight 0.11000E+01 volume 0.11166E-02 ppm1 8.219 ppm2 4.219 CV 1 OR { 404} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1546 and name HA1 )) ASSI { 406} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1522 and name HB2 )) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.11000E+01 volume 0.68425E-02 ppm1 8.122 ppm2 4.010 CV 1 ASSI { 407} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1521 and name HD2 )) 3.300 1.400 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.16733E-02 ppm1 8.120 ppm2 3.824 CV 1 OR { 407} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1521 and name HD1 )) ASSI { 408} (( segid " " and resid 1522 and name HN )) (( segid " " and resid 1521 and name HG2 )) 3.500 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.35136E-02 ppm1 8.125 ppm2 2.147 CV 1 ASSI { 409} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1544 and name HB2 )) 3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 8.222 ppm2 1.912 CV 1 OR { 409} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1544 and name HB1 )) ASSI { 412} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1600 and name HB2 )) 3.300 1.200 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.22159E-02 ppm1 7.462 ppm2 4.005 CV 1 ASSI { 414} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1599 and name HB1 )) 4.000 2.000 2.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 7.463 ppm2 2.384 CV 1 ASSI { 415} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1599 and name HG1 )) 3.300 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.21664E-02 ppm1 7.460 ppm2 2.173 CV 1 ASSI { 416} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1599 and name HB2 )) 3.500 1.400 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.17503E-02 ppm1 7.460 ppm2 2.054 CV 1 ASSI { 418} (( segid " " and resid 1522 and name HN )) ( segid " " and resid 1523 and name HG2%) 4.800 2.900 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.11532E-02 ppm1 8.122 ppm2 1.163 CV 1 ASSI { 422} (( segid " " and resid 1539 and name HN )) (( segid " " and resid 1539 and name HB )) 3.800 1.800 1.000 peak 422 spectrum 1 weight 0.11000E+01 volume 0.10587E-02 ppm1 8.670 ppm2 3.930 CV 1 ASSI { 423} (( segid " " and resid 1539 and name HN )) (( segid " " and resid 1538 and name HB1 )) 2.800 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.24848E-02 ppm1 8.673 ppm2 3.237 CV 1 ASSI { 424} (( segid " " and resid 1539 and name HN )) (( segid " " and resid 1538 and name HB2 )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.18133E-02 ppm1 8.667 ppm2 2.514 CV 1 ASSI { 425} (( segid " " and resid 1539 and name HN )) ( segid " " and resid 1538 and name HD% ) 4.000 1.600 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.12509E-02 ppm1 8.668 ppm2 7.467 CV 1 ASSI { 426} (( segid " " and resid 1539 and name HN )) (( segid " " and resid 1539 and name HA )) 3.200 1.400 1.400 peak 426 spectrum 1 weight 0.11000E+01 volume 0.76287E-03 ppm1 8.667 ppm2 5.480 CV 1 ASSI { 427} (( segid " " and resid 1539 and name HN )) (( segid " " and resid 1538 and name HA )) 2.700 0.900 0.900 peak 427 spectrum 1 weight 0.11000E+01 volume 0.36134E-02 ppm1 8.673 ppm2 5.021 CV 1 ASSI { 432} (( segid " " and resid 1603 and name HN )) (( segid " " and resid 1603 and name HA2 )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.11000E+01 volume 0.38560E-02 ppm1 8.595 ppm2 3.873 CV 1 ASSI { 433} (( segid " " and resid 1578 and name HN )) (( segid " " and resid 1578 and name HA )) 3.200 1.300 1.300 peak 433 spectrum 1 weight 0.11000E+01 volume 0.12210E-02 ppm1 7.026 ppm2 4.666 CV 1 ASSI { 434} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1516 and name HA )) 2.800 0.800 0.700 peak 434 spectrum 1 weight 0.11000E+01 volume 0.21258E-02 ppm1 7.780 ppm2 4.056 CV 1 ASSI { 435} (( segid " " and resid 1578 and name HN )) (( segid " " and resid 1578 and name HB1 )) 3.700 1.700 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.14137E-02 ppm1 7.022 ppm2 3.046 CV 1 ASSI { 437} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1517 and name HG1 )) 4.000 1.000 1.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12828E-02 ppm1 7.776 ppm2 2.370 CV 1 ASSI { 438} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1517 and name HG2 )) 2.800 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.18276E-02 ppm1 7.780 ppm2 2.139 CV 1 ASSI { 439} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1517 and name HB2 )) 3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 7.782 ppm2 1.959 CV 1 OR { 439} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1517 and name HB1 )) ASSI { 441} (( segid " " and resid 1578 and name HN )) ( segid " " and resid 1577 and name HB% ) 3.000 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.39005E-02 ppm1 7.023 ppm2 0.664 CV 1 ASSI { 443} (( segid " " and resid 1603 and name HN )) (( segid " " and resid 1602 and name HN )) 4.100 2.100 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.15291E-02 ppm1 8.596 ppm2 8.398 CV 1 ASSI { 444} (( segid " " and resid 1566 and name HN )) (( segid " " and resid 1549 and name HN )) 3.300 1.400 1.400 peak 444 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 9.205 ppm2 8.905 CV 1 ASSI { 445} (( segid " " and resid 1566 and name HN )) (( segid " " and resid 1565 and name HA )) 2.100 0.600 0.600 peak 445 spectrum 1 weight 0.11000E+01 volume 0.50383E-02 ppm1 9.203 ppm2 5.854 CV 1 ASSI { 446} (( segid " " and resid 1566 and name HN )) (( segid " " and resid 1566 and name HA )) 3.100 3.100 2.900 peak 446 spectrum 1 weight 0.11000E+01 volume 0.95932E-03 ppm1 9.208 ppm2 5.459 CV 1 ASSI { 448} (( segid " " and resid 1566 and name HN )) ( segid " " and resid 1565 and name HB% ) 3.300 0.800 1.200 peak 448 spectrum 1 weight 0.10000E+01 volume 0.39935E-02 ppm1 9.204 ppm2 1.236 CV 1 ASSI { 449} (( segid " " and resid 1566 and name HN )) ( segid " " and resid 1548 and name HG1%) 3.300 0.800 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 9.202 ppm2 0.771 CV 1 ASSI { 450} (( segid " " and resid 1566 and name HN )) ( segid " " and resid 1574 and name HG2%) 3.700 1.500 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 9.205 ppm2 0.444 CV 1 ASSI { 452} (( segid " " and resid 1564 and name HN )) (( segid " " and resid 1577 and name HN )) 3.000 1.100 0.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.19135E-02 ppm1 8.546 ppm2 7.992 CV 1 ASSI { 453} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1533 and name HA )) 3.400 1.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.88409E-03 ppm1 7.740 ppm2 4.936 CV 1 ASSI { 454} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1532 and name HA )) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.89053E-03 ppm1 7.739 ppm2 4.766 CV 1 ASSI { 455} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1533 and name HB1 )) 3.000 1.400 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.19076E-02 ppm1 7.738 ppm2 4.217 CV 1 ASSI { 459} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1593 and name HA )) 2.800 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.24131E-02 ppm1 9.233 ppm2 5.091 CV 1 ASSI { 462} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1562 and name HA1 )) 4.900 1.000 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.11646E-02 ppm1 7.912 ppm2 4.270 CV 1 ASSI { 463} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1554 and name HA1 )) 2.800 0.800 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.41257E-02 ppm1 7.910 ppm2 4.090 CV 1 ASSI { 465} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1554 and name HA2 )) 2.500 0.600 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.44576E-02 ppm1 7.910 ppm2 3.719 CV 1 ASSI { 467} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1594 and name HB2 )) 3.800 1.600 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.16644E-02 ppm1 9.231 ppm2 2.954 CV 1 ASSI { 468} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1555 and name HB1 )) 3.600 1.600 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 7.908 ppm2 2.254 CV 1 ASSI { 469} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1555 and name HB1 )) 3.100 1.200 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.35055E-02 ppm1 7.909 ppm2 2.139 CV 1 ASSI { 470} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1593 and name HB1 )) 2.800 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.40398E-02 ppm1 9.230 ppm2 1.982 CV 1 ASSI { 471} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1555 and name HG2 )) 2.800 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.26068E-02 ppm1 7.910 ppm2 1.855 CV 1 ASSI { 472} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1593 and name HB2 )) 3.100 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.36786E-02 ppm1 9.231 ppm2 1.789 CV 1 OR { 472} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1593 and name HD2 )) OR { 472} (( segid " " and resid 1594 and name HN )) (( segid " " and resid 1593 and name HD1 )) ASSI { 473} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1555 and name HB2 )) 3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 7.909 ppm2 1.588 CV 1 OR { 473} (( segid " " and resid 1555 and name HN )) (( segid " " and resid 1555 and name HB1 )) ASSI { 475} (( segid " " and resid 1555 and name HN )) ( segid " " and resid 1577 and name HB% ) 3.600 1.000 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.26062E-02 ppm1 7.911 ppm2 0.663 CV 1 ASSI { 476} (( segid " " and resid 1564 and name HN )) (( segid " " and resid 1564 and name HA1 )) 2.400 0.600 0.600 peak 476 spectrum 1 weight 0.11000E+01 volume 0.24848E-02 ppm1 8.544 ppm2 4.295 CV 1 ASSI { 477} (( segid " " and resid 1564 and name HN )) (( segid " " and resid 1563 and name HA )) 2.800 0.800 0.600 peak 477 spectrum 1 weight 0.11000E+01 volume 0.24946E-02 ppm1 8.544 ppm2 3.911 CV 1 ASSI { 478} (( segid " " and resid 1564 and name HN )) (( segid " " and resid 1564 and name HA2 )) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.11000E+01 volume 0.15088E-02 ppm1 8.547 ppm2 3.075 CV 1 ASSI { 481} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1532 and name HB1 )) 4.000 1.800 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.10106E-02 ppm1 7.736 ppm2 1.712 CV 1 ASSI { 482} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1532 and name HB2)) 3.900 1.900 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.87920E-03 ppm1 7.741 ppm2 1.663 CV 1 ASSI { 484} (( segid " " and resid 1564 and name HN )) ( segid " " and resid 1563 and name HG2%) 3.300 0.800 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 8.545 ppm2 1.243 CV 1 ASSI { 486} (( segid " " and resid 1564 and name HN )) ( segid " " and resid 1563 and name HG1%) 4.200 2.200 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.94439E-03 ppm1 8.550 ppm2 0.929 CV 1 ASSI { 490} (( segid " " and resid 1533 and name HN )) (( segid " " and resid 1532 and name HN )) 2.500 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.42115E-02 ppm1 7.739 ppm2 8.027 CV 1 ASSI { 493} (( segid " " and resid 1596 and name HN )) (( segid " " and resid 1573 and name HG )) 4.000 1.500 1.000 peak 493 spectrum 1 weight 0.11000E+01 volume 0.69080E-03 ppm1 8.826 ppm2 6.153 CV 1 ASSI { 494} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1630 and name HA )) 4.000 2.400 1.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.89121E-03 ppm1 8.508 ppm2 5.003 CV 1 ASSI { 495} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1579 and name HA )) 3.200 1.300 1.300 peak 495 spectrum 1 weight 0.11000E+01 volume 0.10974E-02 ppm1 8.798 ppm2 4.922 CV 1 ASSI { 496} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1578 and name HA )) 3.000 1.500 0.500 peak 496 spectrum 1 weight 0.11000E+01 volume 0.24062E-02 ppm1 8.799 ppm2 4.668 CV 1 ASSI { 497} (( segid " " and resid 1596 and name HN )) (( segid " " and resid 1596 and name HB1 )) 3.400 1.400 1.000 peak 497 spectrum 1 weight 0.11000E+01 volume 0.20636E-02 ppm1 8.830 ppm2 4.332 CV 1 OR { 497} (( segid " " and resid 1596 and name HN )) (( segid " " and resid 1595 and name HA1 )) ASSI { 504} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1579 and name HB2 )) 3.400 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.10896E-02 ppm1 8.792 ppm2 2.088 CV 1 OR { 503} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1579 and name HB1 )) ASSI { 504} ( segid " " and resid 1574 and name HG1%) (( segid " " and resid 1606 and name HB2 )) 2.900 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21196E-02 ppm1 0.110 ppm2 2.916 CV 1 ASSI { 505} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1579 and name HD1 )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.15124E-02 ppm1 8.799 ppm2 1.812 CV 1 OR { 505} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1579 and name HD2 )) ASSI { 506} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1580 and name HG2 )) 4.500 2.600 1.500 peak 506 spectrum 1 weight 0.10000E+01 volume 0.90482E-03 ppm1 8.794 ppm2 1.651 CV 1 OR { 506} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1580 and name HG1 )) ASSI { 509} (( segid " " and resid 1579 and name HN )) (( segid " " and resid 1580 and name HN )) 3.300 0.800 1.000 peak 509 spectrum 1 weight 0.11000E+01 volume 0.24537E-02 ppm1 8.799 ppm2 8.540 CV 1 ASSI { 511} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1571 and name HA )) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.42518E-02 ppm1 7.900 ppm2 3.831 CV 1 ASSI { 512} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1571 and name HD1 )) 4.000 2.200 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 7.901 ppm2 3.280 CV 1 OR { 512} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1571 and name HD2 )) ASSI { 513} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1567 and name HB2 )) 3.300 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.88280E-03 ppm1 7.897 ppm2 2.877 CV 1 ASSI { 516} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1571 and name HG2 )) 3.400 1.200 1.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19090E-02 ppm1 7.899 ppm2 1.679 CV 1 OR { 516} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1571 and name HG1 )) ASSI { 517} (( segid " " and resid 1571 and name HN )) ( segid " " and resid 1570 and name HG2%) 4.200 2.200 1.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 7.899 ppm2 1.304 CV 1 ASSI { 518} (( segid " " and resid 1571 and name HN )) ( segid " " and resid 1572 and name HD1%) 5.500 1.000 0.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.79247E-03 ppm1 7.894 ppm2 0.867 CV 1 OR { 518} (( segid " " and resid 1571 and name HN )) ( segid " " and resid 1572 and name HG2%) ASSI { 520} (( segid " " and resid 1607 and name HN )) ( segid " " and resid 1606 and name HD1 ) 3.300 1.000 1.300 peak 520 spectrum 1 weight 0.11000E+01 volume 0.13612E-02 ppm1 8.429 ppm2 7.161 CV 1 OR { 520} (( segid " " and resid 1607 and name HN )) ( segid " " and resid 1606 and name HD2 ) ASSI { 522} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1632 and name HA )) 2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.38282E-02 ppm1 8.512 ppm2 4.229 CV 1 ASSI { 523} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1631 and name HA )) 3.500 1.500 1.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 8.512 ppm2 3.967 CV 1 ASSI { 524} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1608 and name HB2 )) 3.300 1.300 1.300 peak 524 spectrum 1 weight 0.11000E+01 volume 0.11169E-02 ppm1 9.305 ppm2 3.657 CV 1 ASSI { 526} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1632 and name HB1 )) 2.700 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.54924E-02 ppm1 8.512 ppm2 2.393 CV 1 ASSI { 527} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1632 and name HB2 )) 3.000 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.41570E-02 ppm1 8.511 ppm2 2.238 CV 1 ASSI { 528} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1631 and name HB2 )) 3.300 1.500 1.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.25395E-02 ppm1 8.511 ppm2 1.928 CV 1 OR { 528} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1631 and name HB1 )) ASSI { 531} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1607 and name HG1 )) 4.200 1.900 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.91985E-03 ppm1 9.301 ppm2 1.580 CV 1 ASSI { 533} (( segid " " and resid 1632 and name HN )) ( segid " " and resid 1629 and name HD1%) 4.500 2.200 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.79678E-03 ppm1 8.513 ppm2 0.905 CV 1 ASSI { 534} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1572 and name HN )) 2.800 0.800 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14233E-02 ppm1 7.898 ppm2 7.608 CV 1 ASSI { 535} (( segid " " and resid 1571 and name HN )) (( segid " " and resid 1570 and name HN )) 2.600 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.97820E-03 ppm1 7.901 ppm2 8.314 CV 1 ASSI { 536} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1634 and name HN )) 4.000 2.200 2.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 8.511 ppm2 8.033 CV 1 ASSI { 537} (( segid " " and resid 1632 and name HN )) (( segid " " and resid 1631 and name HN )) 2.800 1.000 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.26617E-02 ppm1 8.512 ppm2 9.038 CV 1 ASSI { 544} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1607 and name HA )) 2.800 0.700 0.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.50671E-02 ppm1 8.438 ppm2 5.193 CV 1 ASSI { 545} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1635 and name HA )) 3.300 1.500 0.900 peak 545 spectrum 1 weight 0.11000E+01 volume 0.16471E-02 ppm1 8.442 ppm2 5.072 CV 1 ASSI { 546} (( segid " " and resid 1646 and name HN )) (( segid " " and resid 1646 and name HA )) 3.400 1.500 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.94090E-03 ppm1 7.603 ppm2 4.950 CV 1 ASSI { 547} (( segid " " and resid 1605 and name HN )) (( segid " " and resid 1604 and name HA )) 2.300 0.700 0.700 peak 547 spectrum 1 weight 0.11000E+01 volume 0.29086E-02 ppm1 8.392 ppm2 4.731 CV 1 ASSI { 548} (( segid " " and resid 1646 and name HN )) (( segid " " and resid 1645 and name HA )) 3.600 1.600 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.15641E-02 ppm1 7.606 ppm2 4.580 CV 1 ASSI { 553} (( segid " " and resid 1605 and name HN )) (( segid " " and resid 1605 and name HB2 )) 3.300 1.200 1.200 peak 553 spectrum 1 weight 0.11000E+01 volume 0.11820E-02 ppm1 8.392 ppm2 3.715 CV 1 ASSI { 552} ( segid " " and resid 1645 and name HN ) (( segid " " and resid 1644 and name HA )) 3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 7.174 ppm2 4.238 CV 1 ASSI { 556} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1634 and name HB1 )) 4.000 1.900 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 8.437 ppm2 3.102 CV 1 ASSI { 560} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1607 and name HB2 )) 3.000 0.800 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.16358E-02 ppm1 8.437 ppm2 1.978 CV 1 OR { 560} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1607 and name HB1 )) ASSI { 561} (( segid " " and resid 1605 and name HN )) (( segid " " and resid 1604 and name HB1 )) 3.800 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 8.393 ppm2 1.793 CV 1 ASSI { 565} (( segid " " and resid 1645 and name HN )) (( segid " " and resid 1644 and name HB2 )) 3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.81042E-03 ppm1 7.182 ppm2 1.413 CV 1 ASSI { 566} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1607 and name HG2 )) 3.600 1.600 1.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.66227E-03 ppm1 8.431 ppm2 1.321 CV 1 ASSI { 568} (( segid " " and resid 1646 and name HN )) ( segid " " and resid 1645 and name HB% ) 2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.31114E-02 ppm1 7.608 ppm2 1.177 CV 1 ASSI { 569} (( segid " " and resid 1645 and name HN )) ( segid " " and resid 1645 and name HB% ) 2.800 1.000 0.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.56250E-02 ppm1 7.177 ppm2 1.171 CV 1 ASSI { 573} (( segid " " and resid 1607 and name HN )) ( segid " " and resid 1635 and name HG2%) 4.600 1.500 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.80084E-03 ppm1 8.437 ppm2 0.328 CV 1 ASSI { 574} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1608 and name HB1 )) 3.300 1.400 1.400 peak 574 spectrum 1 weight 0.11000E+01 volume 0.12566E-02 ppm1 9.307 ppm2 3.755 CV 1 ASSI { 575} (( segid " " and resid 1639 and name HN )) (( segid " " and resid 1639 and name HB2 )) 3.300 1.400 1.400 peak 575 spectrum 1 weight 0.11000E+01 volume 0.19931E-02 ppm1 9.376 ppm2 3.715 CV 1 ASSI { 576} (( segid " " and resid 1639 and name HN )) (( segid " " and resid 1638 and name HB1 )) 4.000 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.93670E-03 ppm1 9.372 ppm2 2.873 CV 1 ASSI { 577} (( segid " " and resid 1639 and name HN )) (( segid " " and resid 1638 and name HB2 )) 4.200 2.200 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.90535E-03 ppm1 9.384 ppm2 2.662 CV 1 ASSI { 578} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1607 and name HB1 )) 3.300 1.500 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.30608E-02 ppm1 9.307 ppm2 1.977 CV 1 OR { 578} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1607 and name HB2 )) ASSI { 579} (( segid " " and resid 1639 and name HN )) (( segid " " and resid 1627 and name HG12)) 3.500 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15413E-02 ppm1 9.378 ppm2 1.430 CV 1 ASSI { 582} (( segid " " and resid 1639 and name HN )) ( segid " " and resid 1627 and name HG2%) 4.000 1.600 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.10416E-02 ppm1 9.374 ppm2 0.782 CV 1 ASSI { 583} (( segid " " and resid 1639 and name HN )) ( segid " " and resid 1610 and name HG2%) 4.500 0.800 1.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.86798E-03 ppm1 9.379 ppm2 0.186 CV 1 ASSI { 584} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1607 and name HA )) 2.300 0.600 0.600 peak 584 spectrum 1 weight 0.11000E+01 volume 0.44085E-02 ppm1 9.309 ppm2 5.177 CV 1 ASSI { 585} (( segid " " and resid 1639 and name HN )) (( segid " " and resid 1626 and name HA )) 3.900 1.900 1.900 peak 585 spectrum 1 weight 0.11000E+01 volume 0.85270E-03 ppm1 9.370 ppm2 4.106 CV 1 ASSI { 586} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1550 and name HA )) 3.000 1.200 1.200 peak 586 spectrum 1 weight 0.11000E+01 volume 0.94542E-03 ppm1 8.801 ppm2 5.757 CV 1 ASSI { 587} (( segid " " and resid 1556 and name HN )) (( segid " " and resid 1556 and name HA )) 2.900 1.100 1.100 peak 587 spectrum 1 weight 0.11000E+01 volume 0.12286E-02 ppm1 8.056 ppm2 5.522 CV 1 ASSI { 588} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1549 and name HA )) 2.400 0.700 0.700 peak 588 spectrum 1 weight 0.11000E+01 volume 0.33836E-02 ppm1 8.803 ppm2 5.019 CV 1 ASSI { 590} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1558 and name HA )) 3.000 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.20169E-02 ppm1 8.520 ppm2 4.480 CV 1 ASSI { 594} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1631 and name HA )) 3.500 1.800 1.300 peak 594 spectrum 1 weight 0.11000E+01 volume 0.16517E-02 ppm1 8.041 ppm2 3.960 CV 1 ASSI { 596} (( segid " " and resid 1556 and name HN )) (( segid " " and resid 1555 and name HA )) 2.400 0.600 3.900 peak 596 spectrum 1 weight 0.11000E+01 volume 0.38909E-02 ppm1 8.056 ppm2 3.819 CV 1 ASSI { 597} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1634 and name HA )) 2.200 0.600 0.600 peak 597 spectrum 1 weight 0.11000E+01 volume 0.55188E-02 ppm1 8.043 ppm2 3.710 CV 1 ASSI { 598} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1559 and name HB1 )) 3.000 1.400 1.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 7.636 ppm2 3.151 CV 1 ASSI { 599} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1549 and name HB1 )) 3.500 1.500 1.500 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 8.802 ppm2 3.130 CV 1 ASSI { 600} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1634 and name HB1 )) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.11000E+01 volume 0.16012E-02 ppm1 8.047 ppm2 3.120 CV 1 ASSI { 601} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1549 and name HB2 )) 3.900 1.900 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.20846E-02 ppm1 8.769 ppm2 2.792 CV 1 ASSI { 602} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1559 and name HB2 )) 2.800 0.900 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.27606E-02 ppm1 7.640 ppm2 2.671 CV 1 ASSI { 603} (( segid " " and resid 1556 and name HN )) (( segid " " and resid 1556 and name HB1 )) 2.900 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 8.055 ppm2 2.658 CV 1 ASSI { 606} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1550 and name HG1 )) 3.600 1.600 1.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 8.803 ppm2 2.244 CV 1 ASSI { 608} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1558 and name HB1 )) 3.300 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 7.637 ppm2 2.161 CV 1 ASSI { 612} (( segid " " and resid 1559 and name HN )) (( segid " " and resid 1557 and name HB2 )) 4.500 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 7.634 ppm2 1.917 CV 1 ASSI { 613} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1550 and name HB1 )) 3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17093E-02 ppm1 8.800 ppm2 1.876 CV 1 ASSI { 614} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1558 and name HB2 )) 3.500 1.500 1.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.19933E-02 ppm1 8.523 ppm2 1.886 CV 1 ASSI { 616} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1550 and name HB2 )) 3.400 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 8.798 ppm2 1.827 CV 1 ASSI { 617} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1557 and name HB2 )) 3.500 1.500 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.15704E-02 ppm1 8.522 ppm2 1.815 CV 1 OR { 617} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1557 and name HG2 )) ASSI { 623} (( segid " " and resid 1550 and name HN )) ( segid " " and resid 1539 and name HG2%) 3.800 3.000 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15145E-02 ppm1 8.802 ppm2 1.137 CV 1 ASSI { 625} (( segid " " and resid 1556 and name HN )) ( segid " " and resid 1577 and name HB% ) 4.400 1.400 1.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.14280E-02 ppm1 8.059 ppm2 0.665 CV 1 ASSI { 626} (( segid " " and resid 1550 and name HN )) ( segid " " and resid 1549 and name HD% ) 4.300 2.300 1.700 peak 626 spectrum 1 weight 0.11000E+01 volume 0.13871E-02 ppm1 8.799 ppm2 7.114 CV 1 ASSI { 627} (( segid " " and resid 1639 and name HN )) ( segid " " and resid 1638 and name HE1 ) 5.000 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.91062E-03 ppm1 9.375 ppm2 6.794 CV 1 OR { 627} (( segid " " and resid 1639 and name HN )) ( segid " " and resid 1638 and name HE2 ) ASSI { 628} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1538 and name HN )) 3.200 1.300 1.300 peak 628 spectrum 1 weight 0.11000E+01 volume 0.10586E-02 ppm1 8.802 ppm2 9.359 CV 1 ASSI { 629} (( segid " " and resid 1547 and name HN )) (( segid " " and resid 1546 and name HN )) 4.400 2.400 1.000 peak 629 spectrum 1 weight 0.11000E+01 volume 0.93841E-03 ppm1 8.456 ppm2 7.786 CV 1 ASSI { 630} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1559 and name HN )) 2.200 0.400 0.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.54144E-02 ppm1 8.524 ppm2 7.638 CV 1 ASSI { 631} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1558 and name HD21)) 4.000 2.100 1.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.18999E-02 ppm1 8.525 ppm2 7.216 CV 1 ASSI { 632} (( segid " " and resid 1543 and name HN )) ( segid " " and resid 1542 and name HD% ) 3.400 1.500 1.500 peak 632 spectrum 1 weight 0.11000E+01 volume 0.14048E-02 ppm1 8.154 ppm2 6.940 CV 1 ASSI { 633} (( segid " " and resid 1547 and name HN )) ( segid " " and resid 1542 and name HD1 ) 4.000 1.700 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 8.460 ppm2 6.940 CV 1 OR { 633} (( segid " " and resid 1547 and name HN )) ( segid " " and resid 1542 and name HD2 ) ASSI { 634} (( segid " " and resid 1625 and name HN )) (( segid " " and resid 1639 and name HN )) 3.000 0.900 0.900 peak 634 spectrum 1 weight 0.11000E+01 volume 0.13874E-02 ppm1 8.699 ppm2 9.364 CV 1 ASSI { 636} (( segid " " and resid 1558 and name HN )) (( segid " " and resid 1557 and name HN )) 3.800 2.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.12044E-02 ppm1 8.518 ppm2 9.253 CV 1 ASSI { 637} (( segid " " and resid 1547 and name HN )) (( segid " " and resid 1568 and name HN )) 4.500 1.000 1.000 peak 637 spectrum 1 weight 0.11000E+01 volume 0.92790E-03 ppm1 8.455 ppm2 9.039 CV 1 ASSI { 641} (( segid " " and resid 1567 and name HN )) ( segid " " and resid 1567 and name HD1 ) 3.300 1.100 1.100 peak 641 spectrum 1 weight 0.11000E+01 volume 0.12878E-02 ppm1 8.548 ppm2 6.871 CV 1 OR { 641} (( segid " " and resid 1567 and name HN )) ( segid " " and resid 1567 and name HD2 ) ASSI { 642} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1642 and name HA )) 2.800 0.800 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.27188E-02 ppm1 8.549 ppm2 5.462 CV 1 ASSI { 643} (( segid " " and resid 1567 and name HN )) (( segid " " and resid 1567 and name HA )) 2.700 0.900 0.900 peak 643 spectrum 1 weight 0.11000E+01 volume 0.10678E-02 ppm1 8.548 ppm2 5.211 CV 1 ASSI { 644} (( segid " " and resid 1553 and name HN )) (( segid " " and resid 1553 and name HA )) 2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.23836E-02 ppm1 8.216 ppm2 4.555 CV 1 ASSI { 645} (( segid " " and resid 1553 and name HN )) (( segid " " and resid 1552 and name HA )) 3.000 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.22903E-02 ppm1 8.215 ppm2 4.169 CV 1 ASSI { 647} (( segid " " and resid 1567 and name HN )) (( segid " " and resid 1567 and name HB1 )) 3.300 1.300 1.300 peak 647 spectrum 1 weight 0.11000E+01 volume 0.25429E-02 ppm1 8.551 ppm2 3.188 CV 1 ASSI { 648} (( segid " " and resid 1518 and name HN )) (( segid " " and resid 1527 and name HB1 )) 4.100 2.000 2.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.82004E-03 ppm1 8.761 ppm2 3.064 CV 1 ASSI { 650} (( segid " " and resid 1602 and name HN )) (( segid " " and resid 1601 and name HB2 )) 3.300 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.40851E-02 ppm1 8.393 ppm2 1.760 CV 1 OR { 650} (( segid " " and resid 1602 and name HN )) (( segid " " and resid 1601 and name HD1 )) ASSI { 653} (( segid " " and resid 1553 and name HN )) ( segid " " and resid 1590 and name HD2%) 3.700 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.19186E-02 ppm1 8.214 ppm2 1.132 CV 1 ASSI { 655} (( segid " " and resid 1553 and name HN )) ( segid " " and resid 1552 and name HG2%) 3.300 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 8.215 ppm2 0.805 CV 1 ASSI { 656} (( segid " " and resid 1567 and name HN )) ( segid " " and resid 1574 and name HG2%) 4.000 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.548 ppm2 0.453 CV 1 ASSI { 657} (( segid " " and resid 1567 and name HN )) (( segid " " and resid 1572 and name HN )) 3.300 1.100 1.100 peak 657 spectrum 1 weight 0.11000E+01 volume 0.23733E-02 ppm1 8.548 ppm2 7.608 CV 1 ASSI { 658} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1642 and name HB )) 3.600 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 8.550 ppm2 4.389 CV 1 ASSI { 659} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1523 and name HA )) 4.300 2.300 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11849E-02 ppm1 7.904 ppm2 4.362 CV 1 ASSI { 660} (( segid " " and resid 1531 and name HN )) (( segid " " and resid 1531 and name HA )) 3.000 1.100 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.18786E-02 ppm1 8.944 ppm2 4.345 CV 1 ASSI { 662} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1524 and name HA2 )) 3.300 1.700 1.700 peak 662 spectrum 1 weight 0.11000E+01 volume 0.17416E-02 ppm1 7.911 ppm2 4.230 CV 1 ASSI { 663} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1525 and name HA )) 2.900 1.100 1.100 peak 663 spectrum 1 weight 0.11000E+01 volume 0.19136E-02 ppm1 7.907 ppm2 4.041 CV 1 ASSI { 666} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1524 and name HA2 )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.15183E-02 ppm1 7.904 ppm2 3.580 CV 1 ASSI { 668} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1525 and name HB1 )) 3.300 1.300 1.300 peak 668 spectrum 1 weight 0.10000E+01 volume 0.23405E-02 ppm1 7.906 ppm2 2.983 CV 1 ASSI { 669} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1525 and name HB2 )) 2.800 0.900 0.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.22748E-02 ppm1 7.906 ppm2 2.596 CV 1 ASSI { 670} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1643 and name HG2 )) 2.800 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.549 ppm2 2.050 CV 1 OR { 670} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1643 and name HB2 )) ASSI { 671} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1644 and name HG )) 2.200 0.400 0.400 peak 671 spectrum 1 weight 0.10000E+01 volume 0.39386E-02 ppm1 8.548 ppm2 1.618 CV 1 ASSI { 672} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1644 and name HB2 )) 2.800 1.000 1.100 peak 672 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 8.549 ppm2 1.411 CV 1 ASSI { 674} (( segid " " and resid 1644 and name HN )) ( segid " " and resid 1642 and name HG2%) 3.500 1.900 1.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.21245E-02 ppm1 8.550 ppm2 1.146 CV 1 ASSI { 675} (( segid " " and resid 1644 and name HN )) ( segid " " and resid 1644 and name HD2%) 3.400 1.400 1.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.28064E-02 ppm1 8.549 ppm2 0.977 CV 1 ASSI { 677} (( segid " " and resid 1644 and name HN )) ( segid " " and resid 1644 and name HD1%) 3.400 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 8.548 ppm2 0.795 CV 1 ASSI { 678} (( segid " " and resid 1531 and name HN )) (( segid " " and resid 1532 and name HN )) 2.600 0.800 0.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.19696E-02 ppm1 8.941 ppm2 8.027 CV 1 ASSI { 679} (( segid " " and resid 1644 and name HN )) (( segid " " and resid 1645 and name HN )) 2.500 0.800 0.800 peak 679 spectrum 1 weight 0.11000E+01 volume 0.21839E-02 ppm1 8.545 ppm2 7.171 CV 1 ASSI { 681} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1524 and name HN )) 2.400 0.700 0.700 peak 681 spectrum 1 weight 0.11000E+01 volume 0.25659E-02 ppm1 7.906 ppm2 8.712 CV 1 ASSI { 682} (( segid " " and resid 1565 and name HN )) (( segid " " and resid 1565 and name HA )) 2.500 0.800 0.800 peak 682 spectrum 1 weight 0.11000E+01 volume 0.15335E-02 ppm1 7.406 ppm2 5.866 CV 1 ASSI { 684} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1604 and name HA )) 3.000 1.200 1.200 peak 684 spectrum 1 weight 0.11000E+01 volume 0.15728E-02 ppm1 7.740 ppm2 4.729 CV 1 ASSI { 685} (( segid " " and resid 1642 and name HN )) (( segid " " and resid 1642 and name HB )) 3.700 1.700 1.700 peak 685 spectrum 1 weight 0.11000E+01 volume 0.95643E-03 ppm1 9.060 ppm2 4.391 CV 1 ASSI { 686} (( segid " " and resid 1565 and name HN )) (( segid " " and resid 1564 and name HA1 )) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.11000E+01 volume 0.17139E-02 ppm1 7.405 ppm2 4.295 CV 1 ASSI { 691} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1520 and name HB2 )) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13280E-02 ppm1 7.903 ppm2 2.509 CV 1 ASSI { 692} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1604 and name HB1 )) 3.000 1.100 1.100 peak 692 spectrum 1 weight 0.10000E+01 volume 0.42201E-02 ppm1 7.737 ppm2 1.787 CV 1 ASSI { 693} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1604 and name HG )) 2.800 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.31526E-02 ppm1 7.736 ppm2 1.493 CV 1 OR { 693} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1604 and name HB2 )) ASSI { 694} (( segid " " and resid 1565 and name HN )) ( segid " " and resid 1563 and name HG2%) 2.800 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.84276E-02 ppm1 7.405 ppm2 1.246 CV 1 ASSI { 695} (( segid " " and resid 1565 and name HN )) ( segid " " and resid 1563 and name HG1%) 4.000 1.000 1.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 7.406 ppm2 0.934 CV 1 ASSI { 698} (( segid " " and resid 1565 and name HN )) ( segid " " and resid 1577 and name HB% ) 4.800 1.800 1.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.95045E-03 ppm1 7.398 ppm2 0.670 CV 1 ASSI { 699} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1603 and name HN )) 2.800 1.100 0.800 peak 699 spectrum 1 weight 0.11000E+01 volume 0.27646E-02 ppm1 7.739 ppm2 8.595 CV 1 ASSI { 700} (( segid " " and resid 1565 and name HN )) (( segid " " and resid 1564 and name HN )) 2.200 0.600 0.600 peak 700 spectrum 1 weight 0.11000E+01 volume 0.30099E-02 ppm1 7.403 ppm2 8.546 CV 1 ASSI { 701} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1605 and name HN )) 3.700 1.700 1.700 peak 701 spectrum 1 weight 0.11000E+01 volume 0.18075E-02 ppm1 7.737 ppm2 8.398 CV 1 ASSI { 702} (( segid " " and resid 1565 and name HN )) (( segid " " and resid 1577 and name HN )) 5.300 3.500 0.700 peak 702 spectrum 1 weight 0.11000E+01 volume 0.83322E-03 ppm1 7.403 ppm2 7.988 CV 1 ASSI { 703} (( segid " " and resid 1642 and name HN )) (( segid " " and resid 1641 and name HA )) 2.100 0.600 0.600 peak 703 spectrum 1 weight 0.11000E+01 volume 0.58643E-02 ppm1 9.061 ppm2 5.493 CV 1 ASSI { 706} (( segid " " and resid 1642 and name HN )) (( segid " " and resid 1614 and name HA )) 3.400 1.300 1.300 peak 706 spectrum 1 weight 0.11000E+01 volume 0.96619E-03 ppm1 9.055 ppm2 4.467 CV 1 ASSI { 709} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1544 and name HA )) 3.100 1.200 1.200 peak 709 spectrum 1 weight 0.11000E+01 volume 0.13822E-02 ppm1 8.414 ppm2 4.218 CV 1 ASSI { 710} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1545 and name HB2 )) 4.500 1.500 1.500 peak 710 spectrum 1 weight 0.11000E+01 volume 0.10117E-02 ppm1 8.421 ppm2 3.833 CV 1 ASSI { 711} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1603 and name HA2 )) 2.900 1.100 1.100 peak 711 spectrum 1 weight 0.11000E+01 volume 0.23233E-02 ppm1 7.737 ppm2 3.835 CV 1 ASSI { 714} (( segid " " and resid 1642 and name HN )) (( segid " " and resid 1641 and name HB1 )) 4.300 2.300 1.700 peak 714 spectrum 1 weight 0.11000E+01 volume 0.10040E-02 ppm1 9.067 ppm2 3.311 CV 1 ASSI { 715} (( segid " " and resid 1606 and name HN )) (( segid " " and resid 1606 and name HB1 )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.18485E-02 ppm1 8.766 ppm2 3.176 CV 1 ASSI { 717} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1637 and name HB2 )) 2.800 0.800 0.800 peak 717 spectrum 1 weight 0.11000E+01 volume 0.22028E-02 ppm1 8.576 ppm2 2.921 CV 1 OR { 717} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1637 and name HB1 )) ASSI { 718} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1586 and name HB2 )) 3.700 1.700 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 7.692 ppm2 2.361 CV 1 OR { 718} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1586 and name HG2 )) ASSI { 721} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1544 and name HB2 )) 2.900 1.100 1.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 8.412 ppm2 1.909 CV 1 OR { 721} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1544 and name HB1 )) ASSI { 723} (( segid " " and resid 1604 and name HN )) (( segid " " and resid 1604 and name HG )) 2.800 0.800 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.42304E-02 ppm1 7.736 ppm2 1.568 CV 1 ASSI { 724} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1544 and name HG2 )) 4.000 2.000 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.76686E-03 ppm1 8.415 ppm2 1.479 CV 1 OR { 724} (( segid " " and resid 1544 and name HN )) (( segid " " and resid 1544 and name HG1 )) ASSI { 727} (( segid " " and resid 1604 and name HN )) ( segid " " and resid 1604 and name HD2%) 3.300 1.000 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.53849E-02 ppm1 7.733 ppm2 0.893 CV 1 OR { 727} (( segid " " and resid 1604 and name HN )) ( segid " " and resid 1604 and name HD1%) ASSI { 732} (( segid " " and resid 1637 and name HN )) ( segid " " and resid 1637 and name HD% ) 3.000 1.100 1.100 peak 732 spectrum 1 weight 0.11000E+01 volume 0.17482E-02 ppm1 8.576 ppm2 7.208 CV 1 ASSI { 733} (( segid " " and resid 1606 and name HN )) ( segid " " and resid 1606 and name HD% ) 2.900 1.100 1.100 peak 733 spectrum 1 weight 0.11000E+01 volume 0.23300E-02 ppm1 8.764 ppm2 7.174 CV 1 ASSI { 738} (( segid " " and resid 1615 and name HN )) (( segid " " and resid 1642 and name HN )) 3.300 1.500 1.000 peak 738 spectrum 1 weight 0.11000E+01 volume 0.11447E-02 ppm1 7.312 ppm2 9.054 CV 1 ASSI { 739} (( segid " " and resid 1636 and name HN )) (( segid " " and resid 1608 and name HA )) 2.800 1.100 1.100 peak 739 spectrum 1 weight 0.11000E+01 volume 0.11205E-02 ppm1 9.200 ppm2 5.637 CV 1 ASSI { 740} (( segid " " and resid 1636 and name HN )) (( segid " " and resid 1635 and name HA )) 2.300 0.700 0.700 peak 740 spectrum 1 weight 0.11000E+01 volume 0.29036E-02 ppm1 9.203 ppm2 5.057 CV 1 ASSI { 741} (( segid " " and resid 1581 and name HN )) (( segid " " and resid 1580 and name HA )) 2.800 1.000 0.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.26443E-02 ppm1 8.486 ppm2 4.742 CV 1 ASSI { 742} (( segid " " and resid 1636 and name HN )) (( segid " " and resid 1636 and name HA )) 3.000 1.100 1.100 peak 742 spectrum 1 weight 0.11000E+01 volume 0.83432E-03 ppm1 9.196 ppm2 4.668 CV 1 ASSI { 743} (( segid " " and resid 1581 and name HN )) (( segid " " and resid 1581 and name HA )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 8.485 ppm2 4.637 CV 1 ASSI { 748} (( segid " " and resid 1636 and name HN )) (( segid " " and resid 1636 and name HB1 )) 3.500 1.500 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 9.199 ppm2 1.901 CV 1 ASSI { 749} (( segid " " and resid 1581 and name HN )) (( segid " " and resid 1580 and name HB2 )) 3.500 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.95757E-03 ppm1 8.486 ppm2 1.842 CV 1 OR { 749} (( segid " " and resid 1581 and name HN )) (( segid " " and resid 1580 and name HB1 )) ASSI { 754} (( segid " " and resid 1636 and name HN )) (( segid " " and resid 1636 and name HB2 )) 3.700 1.700 1.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10064E-02 ppm1 9.203 ppm2 1.240 CV 1 ASSI { 757} (( segid " " and resid 1636 and name HN )) ( segid " " and resid 1636 and name HD2%) 3.300 0.900 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.27947E-02 ppm1 9.203 ppm2 0.968 CV 1 ASSI { 758} (( segid " " and resid 1610 and name HN )) ( segid " " and resid 1609 and name HG2%) 3.800 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 9.388 ppm2 0.925 CV 1 ASSI { 761} (( segid " " and resid 1581 and name HN )) ( segid " " and resid 1581 and name HD2%) 4.200 1.800 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 8.482 ppm2 0.676 CV 1 ASSI { 762} (( segid " " and resid 1581 and name HN )) ( segid " " and resid 1581 and name HD1%) 3.500 1.600 1.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 8.481 ppm2 0.631 CV 1 ASSI { 763} (( segid " " and resid 1610 and name HN )) (( segid " " and resid 1610 and name HG12)) 4.000 2.200 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.88448E-03 ppm1 9.393 ppm2 0.382 CV 1 ASSI { 765} (( segid " " and resid 1610 and name HN )) ( segid " " and resid 1610 and name HD1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.23769E-02 ppm1 9.388 ppm2 0.197 CV 1 OR { 765} (( segid " " and resid 1610 and name HN )) ( segid " " and resid 1610 and name HG2%) ASSI { 767} (( segid " " and resid 1627 and name HN )) (( segid " " and resid 1626 and name HA )) 2.300 0.600 0.600 peak 767 spectrum 1 weight 0.11000E+01 volume 0.18841E-02 ppm1 9.268 ppm2 4.116 CV 1 ASSI { 768} (( segid " " and resid 1592 and name HN )) (( segid " " and resid 1591 and name HB )) 4.300 2.300 1.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.13070E-02 ppm1 9.378 ppm2 2.080 CV 1 ASSI { 770} (( segid " " and resid 1627 and name HN )) (( segid " " and resid 1627 and name HB )) 3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 9.262 ppm2 1.930 CV 1 ASSI { 772} (( segid " " and resid 1627 and name HN )) (( segid " " and resid 1626 and name HG )) 3.800 1.900 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.94863E-03 ppm1 9.272 ppm2 1.095 CV 1 OR { 772} (( segid " " and resid 1627 and name HN )) (( segid " " and resid 1626 and name HB2 )) ASSI { 779} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1526 and name HA )) 2.900 1.000 1.000 peak 779 spectrum 1 weight 0.11000E+01 volume 0.14489E-02 ppm1 7.857 ppm2 4.231 CV 1 ASSI { 780} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1525 and name HA )) 2.200 0.600 0.600 peak 780 spectrum 1 weight 0.11000E+01 volume 0.65283E-02 ppm1 7.858 ppm2 4.043 CV 1 ASSI { 781} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1526 and name HB1 )) 2.500 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.44235E-02 ppm1 7.859 ppm2 1.535 CV 1 ASSI { 782} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1526 and name HB2 )) 2.600 0.800 0.800 peak 782 spectrum 1 weight 0.10000E+01 volume 0.40366E-02 ppm1 7.860 ppm2 1.194 CV 1 ASSI { 783} (( segid " " and resid 1526 and name HN )) ( segid " " and resid 1519 and name HG2%) 4.500 1.500 1.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12341E-02 ppm1 7.861 ppm2 0.912 CV 1 ASSI { 784} (( segid " " and resid 1526 and name HN )) ( segid " " and resid 1526 and name HD1%) 4.500 2.500 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24355E-02 ppm1 7.859 ppm2 0.752 CV 1 ASSI { 786} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1527 and name HN )) 4.600 2.600 1.400 peak 786 spectrum 1 weight 0.11000E+01 volume 0.81177E-03 ppm1 7.857 ppm2 9.276 CV 1 ASSI { 788} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1588 and name HA )) 3.800 1.100 1.100 peak 788 spectrum 1 weight 0.11000E+01 volume 0.14536E-02 ppm1 8.746 ppm2 5.430 CV 1 ASSI { 791} (( segid " " and resid 1641 and name HN )) (( segid " " and resid 1641 and name HB1 )) 3.300 1.500 1.000 peak 791 spectrum 1 weight 0.11000E+01 volume 0.14437E-02 ppm1 9.295 ppm2 3.309 CV 1 ASSI { 792} (( segid " " and resid 1641 and name HN )) (( segid " " and resid 1641 and name HB2 )) 3.100 1.200 1.200 peak 792 spectrum 1 weight 0.11000E+01 volume 0.11472E-02 ppm1 9.298 ppm2 2.974 CV 1 ASSI { 794} (( segid " " and resid 1584 and name HN )) ( segid " " and resid 1583 and name HD1 ) 3.800 1.000 1.500 peak 794 spectrum 1 weight 0.11000E+01 volume 0.12273E-02 ppm1 8.746 ppm2 6.864 CV 1 OR { 794} (( segid " " and resid 1584 and name HN )) ( segid " " and resid 1583 and name HD2 ) ASSI { 795} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1583 and name HA )) 2.500 0.600 0.700 peak 795 spectrum 1 weight 0.11000E+01 volume 0.36512E-02 ppm1 8.746 ppm2 4.914 CV 1 ASSI { 796} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1583 and name HB2 )) 4.800 2.800 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 8.745 ppm2 2.639 CV 1 ASSI { 798} (( segid " " and resid 1584 and name HN )) ( segid " " and resid 1584 and name HG1%) 2.800 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.54607E-02 ppm1 8.748 ppm2 0.813 CV 1 OR { 798} (( segid " " and resid 1584 and name HN )) ( segid " " and resid 1584 and name HG2%) ASSI { 799} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1642 and name HA )) 3.500 0.600 1.000 peak 799 spectrum 1 weight 0.11000E+01 volume 0.10502E-02 ppm1 9.747 ppm2 5.473 CV 1 ASSI { 800} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1622 and name HA )) 3.300 0.800 1.000 peak 800 spectrum 1 weight 0.11000E+01 volume 0.11612E-02 ppm1 9.748 ppm2 5.138 CV 1 ASSI { 801} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1630 and name HA )) 2.400 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.38603E-02 ppm1 9.037 ppm2 4.989 CV 1 ASSI { 802} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1575 and name HA1 )) 4.000 2.000 2.000 peak 802 spectrum 1 weight 0.11000E+01 volume 0.10612E-02 ppm1 9.100 ppm2 4.680 CV 1 ASSI { 803} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1642 and name HB )) 4.200 1.200 1.800 peak 803 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 9.751 ppm2 4.395 CV 1 ASSI { 804} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HA )) 2.900 1.000 1.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.27614E-02 ppm1 9.037 ppm2 3.965 CV 1 ASSI { 805} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1622 and name HB1 )) 4.500 2.100 1.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.89078E-03 ppm1 9.746 ppm2 3.307 CV 1 ASSI { 807} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HD2 )) 3.700 1.700 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.23448E-02 ppm1 9.040 ppm2 1.816 CV 1 OR { 807} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HD1 )) ASSI { 808} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HD1 )) 3.300 1.000 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.25442E-02 ppm1 9.035 ppm2 1.677 CV 1 OR { 808} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HD2 )) ASSI { 809} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HG1 )) 3.300 1.300 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 9.036 ppm2 1.509 CV 1 OR { 809} (( segid " " and resid 1631 and name HN )) (( segid " " and resid 1631 and name HG2 )) ASSI { 810} (( segid " " and resid 1640 and name HE1 )) ( segid " " and resid 1642 and name HG2%) 4.000 1.000 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 9.749 ppm2 1.145 CV 1 ASSI { 811} (( segid " " and resid 1631 and name HN )) ( segid " " and resid 1629 and name HD1%) 3.800 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 9.037 ppm2 0.895 CV 1 ASSI { 814} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1622 and name HD22)) 4.200 1.500 1.500 peak 814 spectrum 1 weight 0.11000E+01 volume 0.12407E-02 ppm1 9.749 ppm2 7.968 CV 1 ASSI { 815} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1567 and name HA )) 3.800 1.800 1.800 peak 815 spectrum 1 weight 0.11000E+01 volume 0.86606E-03 ppm1 8.914 ppm2 5.194 CV 1 ASSI { 816} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1549 and name HA )) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.11000E+01 volume 0.92811E-03 ppm1 8.911 ppm2 5.000 CV 1 ASSI { 817} (( segid " " and resid 1626 and name HN )) (( segid " " and resid 1625 and name HA )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.11000E+01 volume 0.31426E-02 ppm1 9.348 ppm2 4.869 CV 1 ASSI { 818} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1548 and name HA )) 2.200 0.600 0.600 peak 818 spectrum 1 weight 0.11000E+01 volume 0.24781E-02 ppm1 8.909 ppm2 4.632 CV 1 ASSI { 819} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HA )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.11000E+01 volume 0.16280E-02 ppm1 9.098 ppm2 4.313 CV 1 ASSI { 821} (( segid " " and resid 1585 and name HN )) (( segid " " and resid 1585 and name HA )) 2.000 0.500 0.500 peak 821 spectrum 1 weight 0.11000E+01 volume 0.14875E-01 ppm1 9.032 ppm2 4.274 CV 1 ASSI { 822} (( segid " " and resid 1649 and name HN )) (( segid " " and resid 1648 and name HD1 )) 5.000 2.000 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.78541E-03 ppm1 8.159 ppm2 3.379 CV 1 ASSI { 826} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1594 and name HB2 )) 4.700 2.800 1.300 peak 826 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 9.101 ppm2 2.935 CV 1 ASSI { 828} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1549 and name HB2 )) 3.000 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.13818E-02 ppm1 8.912 ppm2 2.800 CV 1 ASSI { 833} (( segid " " and resid 1649 and name HN )) (( segid " " and resid 1649 and name HB1 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.29080E-02 ppm1 8.163 ppm2 2.102 CV 1 ASSI { 835} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HB1 )) 2.600 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.28011E-02 ppm1 9.104 ppm2 1.964 CV 1 ASSI { 839} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HB2 )) 2.600 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.44986E-02 ppm1 9.103 ppm2 1.840 CV 1 OR { 839} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HG1 )) OR { 839} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HD2 )) OR { 839} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HD1 )) ASSI { 840} (( segid " " and resid 1576 and name HN )) (( segid " " and resid 1576 and name HG2 )) 4.100 2.100 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 9.108 ppm2 1.417 CV 1 ASSI { 841} (( segid " " and resid 1529 and name HN )) (( segid " " and resid 1529 and name HB1 )) 3.300 1.800 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 8.357 ppm2 1.406 CV 1 ASSI { 843} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1526 and name HB2 )) 4.100 2.100 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 9.269 ppm2 1.176 CV 1 ASSI { 844} (( segid " " and resid 1626 and name HN )) (( segid " " and resid 1626 and name HB2 )) 2.700 0.900 0.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.28532E-02 ppm1 9.346 ppm2 1.084 CV 1 OR { 844} (( segid " " and resid 1626 and name HN )) (( segid " " and resid 1626 and name HG )) ASSI { 851} (( segid " " and resid 1527 and name HN )) ( segid " " and resid 1526 and name HD2%) 3.200 1.300 1.300 peak 851 spectrum 1 weight 0.10000E+01 volume 0.30948E-02 ppm1 9.268 ppm2 0.670 CV 1 ASSI { 852} (( segid " " and resid 1626 and name HN )) ( segid " " and resid 1626 and name HD1%) 5.000 3.100 1.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.84750E-03 ppm1 9.345 ppm2 0.184 CV 1 ASSI { 853} (( segid " " and resid 1529 and name HN )) ( segid " " and resid 1529 and name HD2%) 3.800 1.5000 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.13416E-02 ppm1 8.354 ppm2 -0.001 CV 1 ASSI { 854} (( segid " " and resid 1527 and name HN )) ( segid " " and resid 1527 and name HD% ) 3.100 1.200 1.200 peak 854 spectrum 1 weight 0.11000E+01 volume 0.21059E-02 ppm1 9.268 ppm2 7.527 CV 1 ASSI { 855} (( segid " " and resid 1549 and name HN )) ( segid " " and resid 1549 and name HD% ) 2.800 0.900 0.900 peak 855 spectrum 1 weight 0.11000E+01 volume 0.19911E-02 ppm1 8.913 ppm2 7.118 CV 1 ASSI { 856} (( segid " " and resid 1585 and name HN )) ( segid " " and resid 1583 and name HD% ) 4.300 1.300 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 9.029 ppm2 6.871 CV 1 OR { 856} (( segid " " and resid 1585 and name HN )) ( segid " " and resid 1583 and name HE% ) ASSI { 860} (( segid " " and resid 1630 and name HN )) ( segid " " and resid 1637 and name HE1 ) 4.500 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.80917E-03 ppm1 9.329 ppm2 7.307 CV 1 OR { 860} (( segid " " and resid 1630 and name HN )) ( segid " " and resid 1637 and name HE2 ) ASSI { 863} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1519 and name HA )) 2.800 0.700 0.700 peak 863 spectrum 1 weight 0.11000E+01 volume 0.29942E-02 ppm1 9.260 ppm2 5.547 CV 1 ASSI { 864} (( segid " " and resid 1529 and name HN )) (( segid " " and resid 1517 and name HA )) 3.300 1.400 1.400 peak 864 spectrum 1 weight 0.11000E+01 volume 0.96804E-03 ppm1 8.349 ppm2 5.451 CV 1 ASSI { 865} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1611 and name HA )) 4.200 2.200 1.800 peak 865 spectrum 1 weight 0.11000E+01 volume 0.72001E-03 ppm1 8.969 ppm2 5.324 CV 1 ASSI { 866} (( segid " " and resid 1529 and name HN )) (( segid " " and resid 1528 and name HA )) 2.200 0.600 0.600 peak 866 spectrum 1 weight 0.11000E+01 volume 0.30572E-02 ppm1 8.353 ppm2 5.096 CV 1 ASSI { 867} (( segid " " and resid 1630 and name HN )) (( segid " " and resid 1629 and name HA )) 2.400 0.600 0.500 peak 867 spectrum 1 weight 0.11000E+01 volume 0.36608E-02 ppm1 9.326 ppm2 5.042 CV 1 ASSI { 868} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1527 and name HA )) 3.100 1.200 1.200 peak 868 spectrum 1 weight 0.11000E+01 volume 0.91322E-03 ppm1 9.262 ppm2 4.737 CV 1 ASSI { 870} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1526 and name HA )) 2.100 0.500 0.500 peak 870 spectrum 1 weight 0.11000E+01 volume 0.39137E-02 ppm1 9.266 ppm2 4.215 CV 1 ASSI { 872} (( segid " " and resid 1630 and name HN )) (( segid " " and resid 1630 and name HB1 )) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.11000E+01 volume 0.15041E-02 ppm1 9.324 ppm2 3.145 CV 1 ASSI { 873} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1527 and name HB1 )) 3.600 1.600 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.16268E-02 ppm1 9.269 ppm2 3.063 CV 1 ASSI { 874} (( segid " " and resid 1630 and name HN )) (( segid " " and resid 1630 and name HB2 )) 3.200 1.300 1.300 peak 874 spectrum 1 weight 0.11000E+01 volume 0.19658E-02 ppm1 9.322 ppm2 2.907 CV 1 ASSI { 875} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1527 and name HB2 )) 2.600 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11671E-02 ppm1 9.266 ppm2 2.737 CV 1 ASSI { 877} (( segid " " and resid 1529 and name HN )) (( segid " " and resid 1528 and name HB2 )) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.13823E-02 ppm1 8.360 ppm2 2.341 CV 1 ASSI { 878} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1589 and name HG1 )) 4.000 1.500 1.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 8.977 ppm2 2.166 CV 1 ASSI { 879} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1589 and name HG2 )) 4.100 2.100 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 8.966 ppm2 2.112 CV 1 ASSI { 880} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1589 and name HB1 )) 4.000 1.000 1.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 8.970 ppm2 1.841 CV 1 ASSI { 881} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1589 and name HB2 )) 3.800 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.13478E-02 ppm1 8.969 ppm2 1.752 CV 1 ASSI { 885} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1590 and name HB2 )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.20768E-02 ppm1 8.970 ppm2 1.431 CV 1 OR { 885} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1590 and name HB1 )) ASSI { 889} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1526 and name HG )) 3.900 1.200 1.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 9.271 ppm2 1.117 CV 1 ASSI { 895} (( segid " " and resid 1590 and name HN )) ( segid " " and resid 1610 and name HD1%) 4.300 2.300 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.93819E-03 ppm1 8.969 ppm2 0.183 CV 1 OR { 895} (( segid " " and resid 1590 and name HN )) ( segid " " and resid 1610 and name HG2%) ASSI { 896} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1610 and name HN )) 2.800 0.900 0.900 peak 896 spectrum 1 weight 0.11000E+01 volume 0.12696E-02 ppm1 8.968 ppm2 9.421 CV 1 ASSI { 898} (( segid " " and resid 1557 and name HN )) (( segid " " and resid 1535 and name HA )) 2.800 0.800 3.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.94343E-03 ppm1 9.251 ppm2 4.593 CV 1 ASSI { 899} (( segid " " and resid 1557 and name HN )) (( segid " " and resid 1557 and name HG1 )) 3.300 0.900 0.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.22352E-02 ppm1 9.252 ppm2 2.280 CV 1 ASSI { 901} (( segid " " and resid 1557 and name HN )) (( segid " " and resid 1557 and name HG2 )) 2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.33742E-02 ppm1 9.255 ppm2 1.797 CV 1 OR { 901} (( segid " " and resid 1557 and name HN )) (( segid " " and resid 1557 and name HB2 )) ASSI { 902} (( segid " " and resid 1557 and name HN )) (( segid " " and resid 1558 and name HN )) 3.600 1.600 1.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 9.257 ppm2 8.532 CV 1 ASSI { 904} (( segid " " and resid 1583 and name HN )) ( segid " " and resid 1583 and name HD% ) 4.700 2.800 1.300 peak 904 spectrum 1 weight 0.11000E+01 volume 0.10674E-02 ppm1 8.994 ppm2 6.877 CV 1 ASSI { 905} (( segid " " and resid 1609 and name HN )) (( segid " " and resid 1608 and name HA )) 2.800 0.600 0.600 peak 905 spectrum 1 weight 0.11000E+01 volume 0.35928E-02 ppm1 9.197 ppm2 5.634 CV 1 ASSI { 906} (( segid " " and resid 1609 and name HN )) (( segid " " and resid 1637 and name HA )) 3.100 1.200 1.200 peak 906 spectrum 1 weight 0.11000E+01 volume 0.12016E-02 ppm1 9.199 ppm2 5.141 CV 1 ASSI { 907} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1582 and name HA )) 2.400 0.700 0.700 peak 907 spectrum 1 weight 0.11000E+01 volume 0.39408E-02 ppm1 8.998 ppm2 5.095 CV 1 ASSI { 908} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1629 and name HA )) 3.000 3.000 3.000 peak 908 spectrum 1 weight 0.11000E+01 volume 0.15294E-02 ppm1 8.376 ppm2 5.042 CV 1 ASSI { 909} (( segid " " and resid 1609 and name HN )) (( segid " " and resid 1591 and name HA )) 4.700 4.700 1.300 peak 909 spectrum 1 weight 0.11000E+01 volume 0.83778E-03 ppm1 9.194 ppm2 4.975 CV 1 ASSI { 910} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1583 and name HA )) 3.300 1.400 1.400 peak 910 spectrum 1 weight 0.11000E+01 volume 0.86171E-03 ppm1 9.002 ppm2 4.917 CV 1 ASSI { 911} (( segid " " and resid 1541 and name HN )) (( segid " " and resid 1540 and name HA )) 2.000 0.500 0.500 peak 911 spectrum 1 weight 0.11000E+01 volume 0.55402E-02 ppm1 8.660 ppm2 4.809 CV 1 ASSI { 912} (( segid " " and resid 1541 and name HN )) (( segid " " and resid 1541 and name HA )) 2.900 1.000 1.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.15975E-02 ppm1 8.658 ppm2 4.589 CV 1 ASSI { 913} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1628 and name HA )) 2.400 0.700 0.700 peak 913 spectrum 1 weight 0.11000E+01 volume 0.75553E-02 ppm1 8.375 ppm2 4.523 CV 1 ASSI { 914} (( segid " " and resid 1609 and name HN )) (( segid " " and resid 1609 and name HA )) 3.100 1.200 1.200 peak 914 spectrum 1 weight 0.11000E+01 volume 0.93481E-03 ppm1 9.210 ppm2 4.495 CV 1 ASSI { 916} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1628 and name HB1 )) 3.000 1.200 1.000 peak 916 spectrum 1 weight 0.11000E+01 volume 0.33013E-02 ppm1 8.375 ppm2 3.833 CV 1 ASSI { 917} (( segid " " and resid 1609 and name HN )) (( segid " " and resid 1608 and name HB2 )) 4.000 1.300 1.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.91835E-03 ppm1 9.201 ppm2 3.653 CV 1 ASSI { 918} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1583 and name HB1 )) 3.000 1.100 1.100 peak 918 spectrum 1 weight 0.10000E+01 volume 0.20208E-02 ppm1 8.999 ppm2 3.140 CV 1 ASSI { 919} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1583 and name HB2 )) 2.900 1.000 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 8.995 ppm2 2.640 CV 1 ASSI { 920} (( segid " " and resid 1618 and name HN )) (( segid " " and resid 1617 and name HG2 )) 4.200 2.200 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.20396E-02 ppm1 8.297 ppm2 2.313 CV 1 OR { 920} (( segid " " and resid 1618 and name HN )) (( segid " " and resid 1617 and name HG1 )) ASSI { 924} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1582 and name HG2 )) 3.500 1.500 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.14513E-02 ppm1 8.989 ppm2 1.685 CV 1 OR { 924} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1582 and name HG1 )) ASSI { 927} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1629 and name HG )) 3.500 1.500 1.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.12212E-02 ppm1 8.372 ppm2 1.520 CV 1 OR { 927} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1629 and name HB2 )) ASSI { 929} (( segid " " and resid 1541 and name HN )) ( segid " " and resid 1541 and name HB% ) 2.800 0.600 0.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.97214E-02 ppm1 8.660 ppm2 1.472 CV 1 ASSI { 930} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1627 and name HG11)) 3.600 1.200 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.24312E-02 ppm1 8.376 ppm2 1.429 CV 1 OR { 930} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1627 and name HG12)) OR { 930} (( segid " " and resid 1629 and name HN )) (( segid " " and resid 1629 and name HB1 )) ASSI { 931} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1518 and name HG1%)) 3.600 1.000 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.26746E-02 ppm1 8.996 ppm2 1.329 CV 1 ASSI { 932} (( segid " " and resid 1541 and name HN )) ( segid " " and resid 1540 and name HB% ) 3.400 1.400 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 8.660 ppm2 1.297 CV 1 ASSI { 934} (( segid " " and resid 1629 and name HN )) ( segid " " and resid 1629 and name HD2%) 3.800 1.800 1.500 peak 934 spectrum 1 weight 0.10000E+01 volume 0.22581E-02 ppm1 8.375 ppm2 0.906 CV 1 OR { 934} (( segid " " and resid 1629 and name HN )) ( segid " " and resid 1629 and name HD1%) ASSI { 935} (( segid " " and resid 1583 and name HN )) ( segid " " and resid 1518 and name HG2%) 4.000 1.900 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.14727E-02 ppm1 8.999 ppm2 0.788 CV 1 OR { 935} (( segid " " and resid 1583 and name HN )) ( segid " " and resid 1584 and name HG1%) ASSI { 937} (( segid " " and resid 1609 and name HN )) ( segid " " and resid 1635 and name HG2%) 4.000 1.000 1.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.10367E-02 ppm1 9.194 ppm2 0.329 CV 1 ASSI { 938} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1562 and name HN )) 3.000 1.300 1.000 peak 938 spectrum 1 weight 0.11000E+01 volume 0.20394E-02 ppm1 8.216 ppm2 9.360 CV 1 ASSI { 939} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1611 and name HA )) 2.000 0.500 0.500 peak 939 spectrum 1 weight 0.11000E+01 volume 0.25987E-02 ppm1 9.674 ppm2 5.332 CV 1 ASSI { 941} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1563 and name HA )) 2.700 0.900 0.900 peak 941 spectrum 1 weight 0.11000E+01 volume 0.19229E-02 ppm1 8.213 ppm2 3.920 CV 1 ASSI { 942} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1562 and name HA2 )) 2.900 1.100 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 8.216 ppm2 3.737 CV 1 ASSI { 945} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1612 and name HB1 )) 3.500 1.500 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.83628E-03 ppm1 9.664 ppm2 2.873 CV 1 ASSI { 946} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1559 and name HB2 )) 4.200 2.200 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.98960E-03 ppm1 8.218 ppm2 2.671 CV 1 ASSI { 947} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1563 and name HB )) 2.800 0.900 0.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.40523E-02 ppm1 8.216 ppm2 2.525 CV 1 ASSI { 948} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1612 and name HB2 )) 2.900 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.89495E-03 ppm1 9.670 ppm2 2.464 CV 1 ASSI { 951} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1582 and name HB1 )) 3.400 1.500 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.30420E-02 ppm1 8.996 ppm2 1.854 CV 1 OR { 951} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1582 and name HB2 )) ASSI { 954} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1555 and name HB1 )) 4.000 1.000 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.96648E-03 ppm1 8.220 ppm2 1.583 CV 1 OR { 954} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1555 and name HB2 )) ASSI { 955} (( segid " " and resid 1563 and name HN )) ( segid " " and resid 1563 and name HG2%) 3.900 1.900 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.24710E-02 ppm1 8.216 ppm2 1.248 CV 1 ASSI { 957} (( segid " " and resid 1563 and name HN )) ( segid " " and resid 1563 and name HG1%) 2.300 0.700 0.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.60307E-02 ppm1 8.216 ppm2 0.934 CV 1 ASSI { 958} (( segid " " and resid 1552 and name HN )) (( segid " " and resid 1551 and name HA )) 2.600 0.900 0.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.10905E-02 ppm1 9.973 ppm2 5.583 CV 1 ASSI { 959} (( segid " " and resid 1614 and name HN )) (( segid " " and resid 1613 and name HA )) 2.300 0.600 0.600 peak 959 spectrum 1 weight 0.11000E+01 volume 0.56353E-02 ppm1 9.214 ppm2 4.424 CV 1 ASSI { 960} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HA )) 2.400 0.500 0.500 peak 960 spectrum 1 weight 0.11000E+01 volume 0.46276E-02 ppm1 7.984 ppm2 4.308 CV 1 ASSI { 961} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1563 and name HA )) 2.000 0.500 0.500 peak 961 spectrum 1 weight 0.11000E+01 volume 0.23864E-02 ppm1 7.983 ppm2 3.917 CV 1 ASSI { 962} (( segid " " and resid 1614 and name HN )) (( segid " " and resid 1614 and name HB1 )) 2.800 0.800 1.100 peak 962 spectrum 1 weight 0.11000E+01 volume 0.21903E-02 ppm1 9.214 ppm2 3.131 CV 1 ASSI { 963} (( segid " " and resid 1614 and name HN )) (( segid " " and resid 1614 and name HB2 )) 3.300 0.800 1.000 peak 963 spectrum 1 weight 0.11000E+01 volume 0.28609E-02 ppm1 9.213 ppm2 2.862 CV 1 ASSI { 965} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HB1 )) 3.900 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.12926E-02 ppm1 7.985 ppm2 1.952 CV 1 ASSI { 966} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HG1 )) 3.100 1.300 1.300 peak 966 spectrum 1 weight 0.10000E+01 volume 0.23196E-02 ppm1 7.983 ppm2 1.843 CV 1 OR { 966} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HB2 )) OR { 966} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HD1 )) OR { 966} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HD2 )) ASSI { 967} (( segid " " and resid 1614 and name HN )) (( segid " " and resid 1613 and name HB )) 4.400 2.400 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.81313E-03 ppm1 9.211 ppm2 1.405 CV 1 ASSI { 968} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1576 and name HG2 )) 3.500 1.600 1.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 7.984 ppm2 1.415 CV 1 ASSI { 969} (( segid " " and resid 1577 and name HN )) ( segid " " and resid 1563 and name HG2%) 4.000 2.200 1.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.92583E-03 ppm1 7.978 ppm2 1.249 CV 1 ASSI { 971} (( segid " " and resid 1577 and name HN )) ( segid " " and resid 1563 and name HG1%) 5.000 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.10607E-02 ppm1 7.982 ppm2 0.933 CV 1 ASSI { 972} (( segid " " and resid 1614 and name HN )) ( segid " " and resid 1613 and name HG2%) 3.300 1.600 1.600 peak 972 spectrum 1 weight 0.10000E+01 volume 0.39148E-02 ppm1 9.214 ppm2 0.912 CV 1 ASSI { 973} (( segid " " and resid 1552 and name HN )) ( segid " " and resid 1552 and name HD1%) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 9.964 ppm2 0.804 CV 1 OR { 973} (( segid " " and resid 1552 and name HN )) ( segid " " and resid 1552 and name HG2%) ASSI { 974} (( segid " " and resid 1614 and name HN )) ( segid " " and resid 1613 and name HG1%) 4.000 1.200 1.200 peak 974 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 9.214 ppm2 0.692 CV 1 ASSI { 976} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1590 and name HN )) 4.600 2.600 1.400 peak 976 spectrum 1 weight 0.11000E+01 volume 0.80244E-03 ppm1 9.684 ppm2 8.953 CV 1 ASSI { 982} (( segid " " and resid 1535 and name HN )) (( segid " " and resid 1535 and name HA )) 3.400 1.400 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.816 ppm2 4.607 CV 1 ASSI { 984} (( segid " " and resid 1540 and name HN )) (( segid " " and resid 1539 and name HB )) 3.300 1.300 1.300 peak 984 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 8.836 ppm2 3.922 CV 1 ASSI { 986} (( segid " " and resid 1622 and name HN )) (( segid " " and resid 1622 and name HA )) 2.800 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.23239E-02 ppm1 8.385 ppm2 5.138 CV 1 ASSI { 988} (( segid " " and resid 1622 and name HN )) (( segid " " and resid 1621 and name HA )) 2.800 1.000 1.000 peak 988 spectrum 1 weight 0.11000E+01 volume 0.59765E-02 ppm1 8.394 ppm2 4.481 CV 1 ASSI { 990} (( segid " " and resid 1622 and name HN )) (( segid " " and resid 1622 and name HB1 )) 3.300 1.500 1.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.21916E-02 ppm1 8.386 ppm2 3.311 CV 1 ASSI { 992} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1582 and name HB2 )) 2.800 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.32566E-02 ppm1 8.921 ppm2 1.833 CV 1 OR { 992} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1582 and name HB1 )) ASSI { 997} (( segid " " and resid 1582 and name HN )) ( segid " " and resid 1581 and name HD2%) 3.700 1.700 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.27239E-02 ppm1 8.921 ppm2 0.688 CV 1 ASSI { 998} (( segid " " and resid 1535 and name HN )) (( segid " " and resid 1536 and name HN )) 2.900 1.000 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.17648E-02 ppm1 8.809 ppm2 8.400 CV 1 ASSI { 999} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1588 and name HG )) 2.800 0.800 0.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.32479E-02 ppm1 8.270 ppm2 1.371 CV 1 OR { 999} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1588 and name HB2 )) ASSI { 1000} (( segid " " and resid 1588 and name HN )) ( segid " " and resid 1645 and name HB% ) 5.000 1.800 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 8.271 ppm2 1.192 CV 1 ASSI { 1001} (( segid " " and resid 1588 and name HN )) ( segid " " and resid 1587 and name HG2%) 2.800 0.900 0.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.45962E-02 ppm1 8.274 ppm2 0.926 CV 1 OR { 1001} (( segid " " and resid 1588 and name HN )) ( segid " " and resid 1587 and name HG1%) ASSI { 1003} (( segid " " and resid 1588 and name HN )) ( segid " " and resid 1588 and name HD2%) 3.900 1.900 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 8.268 ppm2 0.491 CV 1 ASSI { 1006} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1589 and name HN )) 2.800 1.000 1.000 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.18297E-02 ppm1 8.919 ppm2 9.441 CV 1 ASSI { 1009} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1587 and name HB )) 3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.25300E-02 ppm1 8.273 ppm2 2.141 CV 1 ASSI { 1010} (( segid " " and resid 1580 and name HN )) (( segid " " and resid 1580 and name HB1 )) 2.800 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.39262E-02 ppm1 8.539 ppm2 1.879 CV 1 OR { 1010} (( segid " " and resid 1580 and name HN )) (( segid " " and resid 1580 and name HB2 )) ASSI { 9011} ( segid " " and resid 1565 and name HB% ) (( segid " " and resid 1550 and name HB1 )) 3.300 1.400 1.400 peak 9011 spectrum 1 weight 0.10000E+01 volume 0.36921E-02 ppm1 1.230 ppm2 1.875 CV 1 ASSI { 1011} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1588 and name HB1 )) 3.300 1.500 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.15084E-02 ppm1 8.274 ppm2 1.771 CV 1 ASSI { 1012} (( segid " " and resid 1580 and name HN )) (( segid " " and resid 1580 and name HG2 )) 3.300 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.20514E-02 ppm1 8.539 ppm2 1.677 CV 1 OR { 1012} (( segid " " and resid 1580 and name HN )) (( segid " " and resid 1580 and name HG1 )) ASSI { 1013} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1535 and name HG2 )) 4.000 2.000 2.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.11692E-02 ppm1 8.400 ppm2 1.651 CV 1 OR { 1013} (( segid " " and resid 1536 and name HN )) (( segid " " and resid 1535 and name HG1 )) ASSI { 1014} (( segid " " and resid 1593 and name HN )) ( segid " " and resid 1592 and name HD1 ) 4.200 2.200 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 9.073 ppm2 6.873 CV 1 OR { 1014} (( segid " " and resid 1593 and name HN )) ( segid " " and resid 1592 and name HD2 ) ASSI { 1015} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1592 and name HA )) 2.400 0.700 0.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.29749E-02 ppm1 9.072 ppm2 5.275 CV 1 ASSI { 1016} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1593 and name HA )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.13983E-02 ppm1 9.072 ppm2 5.098 CV 1 ASSI { 1018} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1592 and name HB2 )) 4.400 1.400 1.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 9.073 ppm2 2.933 CV 1 ASSI { 1020} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1593 and name HB2 )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.18035E-02 ppm1 9.070 ppm2 1.775 CV 1 OR { 1020} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1593 and name HD1 )) OR { 1020} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1593 and name HD2 )) ASSI { 1021} (( segid " " and resid 1593 and name HN )) (( segid " " and resid 1593 and name HG2 )) 2.800 0.900 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.26736E-02 ppm1 9.071 ppm2 1.473 CV 1 ASSI { 1023} (( segid " " and resid 1589 and name HN )) (( segid " " and resid 1588 and name HB2 )) 3.600 1.600 1.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.20131E-02 ppm1 9.439 ppm2 1.367 CV 1 OR { 1023} (( segid " " and resid 1589 and name HN )) (( segid " " and resid 1581 and name HG )) ASSI { 1024} (( segid " " and resid 1589 and name HN )) ( segid " " and resid 1581 and name HD2%) 3.800 1.400 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.18257E-02 ppm1 9.441 ppm2 0.702 CV 1 ASSI { 1025} (( segid " " and resid 1611 and name HN )) (( segid " " and resid 1638 and name HN )) 3.800 0.700 1.000 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.11237E-02 ppm1 8.297 ppm2 9.490 CV 1 ASSI { 1026} (( segid " " and resid 1589 and name HN )) (( segid " " and resid 1589 and name HB1 )) 2.900 1.000 1.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.27235E-02 ppm1 9.447 ppm2 1.854 CV 1 ASSI { 1028} (( segid " " and resid 1574 and name HN )) ( segid " " and resid 1563 and name HG2%) 3.500 0.800 1.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.21576E-02 ppm1 8.993 ppm2 1.246 CV 1 ASSI { 1029} (( segid " " and resid 1589 and name HN )) ( segid " " and resid 1587 and name HG1%) 3.900 1.700 1.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 9.443 ppm2 0.814 CV 1 ASSI { 1031} (( segid " " and resid 1589 and name HN )) ( segid " " and resid 1588 and name HD1%) 4.200 1.400 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.16908E-02 ppm1 9.445 ppm2 0.185 CV 1 ASSI { 1032} (( segid " " and resid 1574 and name HN )) ( segid " " and resid 1574 and name HG1%) 3.000 1.100 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.15445E-02 ppm1 8.987 ppm2 0.107 CV 1 ASSI { 1033} (( segid " " and resid 1611 and name HN )) (( segid " " and resid 1639 and name HA )) 3.300 1.400 1.400 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.10606E-02 ppm1 8.312 ppm2 5.486 CV 1 ASSI { 1034} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1588 and name HA )) 2.900 1.100 1.100 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.12270E-02 ppm1 8.274 ppm2 5.435 CV 1 ASSI { 1037} (( segid " " and resid 1611 and name HN )) (( segid " " and resid 1610 and name HA )) 2.300 0.700 0.700 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.29417E-02 ppm1 8.301 ppm2 4.391 CV 1 ASSI { 1039} (( segid " " and resid 1611 and name HN )) (( segid " " and resid 1611 and name HB1 )) 3.100 1.200 1.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 8.302 ppm2 3.890 CV 1 ASSI { 1042} (( segid " " and resid 1514 and name HN )) (( segid " " and resid 1513 and name HB2 )) 3.900 1.900 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 8.332 ppm2 3.316 CV 1 ASSI { 1043} (( segid " " and resid 1514 and name HN )) (( segid " " and resid 1514 and name HB2 )) 2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.31831E-02 ppm1 8.338 ppm2 2.576 CV 1 ASSI { 1044} (( segid " " and resid 1574 and name HN )) (( segid " " and resid 1567 and name HN )) 4.200 1.000 1.000 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.10061E-02 ppm1 8.992 ppm2 8.560 CV 1 ASSI { 1047} (( segid " " and resid 1574 and name HN )) (( segid " " and resid 1573 and name HA )) 3.300 1.500 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.19679E-02 ppm1 8.989 ppm2 4.438 CV 1 ASSI { 1051} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1572 and name HB )) 3.800 1.800 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 8.575 ppm2 1.538 CV 1 ASSI { 1052} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1613 and name HB )) 2.500 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 8.406 ppm2 1.407 CV 1 ASSI { 1058} (( segid " " and resid 1573 and name HN )) ( segid " " and resid 1572 and name HG2%) 2.800 0.900 1.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.34007E-02 ppm1 8.574 ppm2 0.869 CV 1 ASSI { 1061} (( segid " " and resid 1589 and name HN )) (( segid " " and resid 1588 and name HA )) 2.200 0.600 0.600 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.44402E-02 ppm1 9.445 ppm2 5.437 CV 1 ASSI { 1062} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1573 and name HG )) 4.000 2.000 2.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.93958E-03 ppm1 8.577 ppm2 6.150 CV 1 ASSI { 1063} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1612 and name HA )) 2.200 0.600 0.600 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.43255E-02 ppm1 8.409 ppm2 5.428 CV 1 ASSI { 1064} (( segid " " and resid 1532 and name HN )) (( segid " " and resid 1528 and name HA )) 4.100 2.100 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.92031E-03 ppm1 8.051 ppm2 5.094 CV 1 ASSI { 1065} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1573 and name HA )) 3.000 3.000 3.000 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.10915E-02 ppm1 8.577 ppm2 4.434 CV 1 ASSI { 1066} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1613 and name HA )) 3.100 1.200 1.200 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.11427E-02 ppm1 8.411 ppm2 4.412 CV 1 ASSI { 1067} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1596 and name HB1 )) 4.000 2.000 2.000 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.22978E-02 ppm1 8.575 ppm2 4.318 CV 1 ASSI { 1070} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1572 and name HA )) 2.400 0.500 0.500 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.47640E-02 ppm1 8.575 ppm2 3.844 CV 1 ASSI { 1072} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1642 and name HN )) 3.100 1.200 1.200 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.12842E-02 ppm1 8.408 ppm2 9.052 CV 1 ASSI { 1075} (( segid " " and resid 1573 and name HN )) (( segid " " and resid 1566 and name HB1 )) 3.600 1.600 1.600 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.70292E-03 ppm1 8.577 ppm2 3.171 CV 1 ASSI { 1076} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1612 and name HB2 )) 4.200 2.200 1.800 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 8.406 ppm2 2.469 CV 1 ASSI { 1077} (( segid " " and resid 1551 and name HN )) ( segid " " and resid 1565 and name HB% ) 4.000 1.700 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.99576E-03 ppm1 9.421 ppm2 1.234 CV 1 ASSI { 1080} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1584 and name HN )) 3.100 1.100 1.100 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.18828E-02 ppm1 7.695 ppm2 8.745 CV 1 ASSI { 1082} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1622 and name HN )) 3.500 1.500 1.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.88558E-03 ppm1 7.960 ppm2 8.387 CV 1 ASSI { 1083} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1556 and name HD22)) 4.400 2.400 1.600 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.79696E-03 ppm1 9.352 ppm2 7.952 CV 1 ASSI { 1084} (( segid " " and resid 1538 and name HN )) ( segid " " and resid 1538 and name HD% ) 3.400 1.400 1.400 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.13279E-02 ppm1 9.360 ppm2 7.466 CV 1 ASSI { 1086} (( segid " " and resid 1638 and name HN )) ( segid " " and resid 1637 and name HD1 ) 4.100 2.100 1.900 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.98368E-03 ppm1 9.493 ppm2 7.220 CV 1 OR { 1086} (( segid " " and resid 1638 and name HN )) ( segid " " and resid 1637 and name HD2 ) ASSI { 1087} (( segid " " and resid 1551 and name HN )) ( segid " " and resid 1592 and name HE% ) 4.000 1.600 1.600 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.89181E-03 ppm1 9.415 ppm2 7.111 CV 1 OR { 1087} (( segid " " and resid 1551 and name HN )) ( segid " " and resid 1556 and name HD21) ASSI { 1088} (( segid " " and resid 1638 and name HN )) ( segid " " and resid 1638 and name HE% ) 4.500 1.000 1.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 9.488 ppm2 6.803 CV 1 ASSI { 1089} (( segid " " and resid 1528 and name HN )) ( segid " " and resid 1527 and name HD% ) 4.900 2.900 1.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.74641E-03 ppm1 8.473 ppm2 7.535 CV 1 ASSI { 1090} (( segid " " and resid 1520 and name HN )) ( segid " " and resid 1527 and name HD% ) 4.100 2.100 1.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.65144E-03 ppm1 8.224 ppm2 7.516 CV 1 OR { 1090} (( segid " " and resid 1520 and name HN )) (( segid " " and resid 1527 and name HZ )) ASSI { 1091} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1586 and name HN )) 2.800 1.000 1.000 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.27755E-02 ppm1 7.695 ppm2 6.619 CV 1 ASSI { 1092} (( segid " " and resid 1638 and name HN )) (( segid " " and resid 1637 and name HA )) 2.400 0.700 0.700 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.27983E-02 ppm1 9.489 ppm2 5.153 CV 1 ASSI { 1093} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1538 and name HA )) 3.400 1.400 1.400 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.10214E-02 ppm1 9.355 ppm2 5.021 CV 1 ASSI { 1094} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1537 and name HA1 )) 2.800 1.000 1.000 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.25355E-02 ppm1 9.353 ppm2 3.917 CV 1 OR { 1094} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1537 and name HA2 )) ASSI { 1095} (( segid " " and resid 1638 and name HN )) (( segid " " and resid 1638 and name HB1 )) 3.300 1.500 1.600 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.14287E-02 ppm1 9.489 ppm2 2.890 CV 1 ASSI { 1096} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1556 and name HB1 )) 4.500 2.500 1.500 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.93399E-03 ppm1 9.414 ppm2 2.643 CV 1 ASSI { 1097} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1538 and name HB2 )) 3.300 1.000 1.600 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.74691E-03 ppm1 9.352 ppm2 2.516 CV 1 ASSI { 1099} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1550 and name HB2 )) 3.700 1.700 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.14240E-02 ppm1 9.414 ppm2 1.835 CV 1 ASSI { 1127} (( segid " " and resid 1585 and name HN )) (( segid " " and resid 1584 and name HN )) 4.500 2.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.77213E-03 ppm1 9.037 ppm2 8.754 CV 1 ASSI { 1132} (( segid " " and resid 1541 and name HN )) (( segid " " and resid 1540 and name HN )) 4.400 2.400 1.600 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.67363E-03 ppm1 8.661 ppm2 8.847 CV 1 ASSI { 1149} (( segid " " and resid 1612 and name HN )) ( segid " " and resid 1612 and name HD% ) 2.800 0.600 0.800 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.17742E-02 ppm1 9.670 ppm2 6.688 CV 1 ASSI { 1153} (( segid " " and resid 1548 and name HN )) (( segid " " and resid 1540 and name HN )) 3.200 1.200 1.200 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.11291E-02 ppm1 9.019 ppm2 8.836 CV 1 ASSI { 1157} (( segid " " and resid 1580 and name HN )) (( segid " " and resid 1580 and name HA )) 3.300 1.300 1.300 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.92430E-03 ppm1 8.546 ppm2 4.760 CV 1 ASSI { 1164} (( segid " " and resid 1591 and name HN )) (( segid " " and resid 1590 and name HA )) 2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.33154E-02 ppm1 9.443 ppm2 4.852 CV 1 ASSI { 1165} (( segid " " and resid 1591 and name HN )) (( segid " " and resid 1591 and name HB )) 2.900 1.000 1.000 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.21726E-02 ppm1 9.443 ppm2 2.083 CV 1 ASSI { 1180} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1527 and name HB1 )) 3.800 1.800 1.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.12260E-02 ppm1 8.483 ppm2 3.061 CV 1 ASSI { 1181} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1528 and name HB1 )) 3.000 1.200 1.200 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.29237E-02 ppm1 8.480 ppm2 2.916 CV 1 ASSI { 1182} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1527 and name HB2 )) 4.100 2.100 1.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 8.481 ppm2 2.725 CV 1 ASSI { 1183} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1528 and name HB2 )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.26506E-02 ppm1 8.481 ppm2 2.332 CV 1 ASSI { 1185} (( segid " " and resid 1528 and name HN )) ( segid " " and resid 1644 and name HD2%) 4.500 1.200 1.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 8.482 ppm2 0.761 CV 1 ASSI { 1186} (( segid " " and resid 1528 and name HN )) ( segid " " and resid 1526 and name HD1%) 4.200 1.300 1.300 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 8.473 ppm2 0.663 CV 1 ASSI { 1187} (( segid " " and resid 1528 and name HN )) ( segid " " and resid 1529 and name HD2%) 4.800 0.800 1.200 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.49093E-03 ppm1 8.471 ppm2 0.000 CV 1 ASSI { 1190} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1548 and name HN )) 4.500 2.500 1.500 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.78313E-03 ppm1 8.221 ppm2 9.025 CV 1 ASSI { 1192} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1541 and name HN )) 4.600 2.600 1.400 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.87963E-03 ppm1 8.218 ppm2 8.679 CV 1 ASSI { 1196} (( segid " " and resid 1542 and name HN )) ( segid " " and resid 1542 and name HD1 ) 4.100 2.100 1.900 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.19545E-02 ppm1 8.224 ppm2 6.951 CV 1 OR { 1196} (( segid " " and resid 1542 and name HN )) ( segid " " and resid 1542 and name HD2 ) ASSI { 1197} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1542 and name HA )) 2.800 1.000 1.000 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.15969E-02 ppm1 8.223 ppm2 4.893 CV 1 ASSI { 1198} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1541 and name HA )) 2.200 0.600 0.600 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.49720E-02 ppm1 8.223 ppm2 4.591 CV 1 ASSI { 1199} (( segid " " and resid 1520 and name HN )) (( segid " " and resid 1526 and name HA )) 3.300 1.400 1.400 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.19856E-02 ppm1 8.225 ppm2 4.203 CV 1 ASSI { 1202} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1542 and name HB1 )) 3.100 1.200 1.200 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.15854E-02 ppm1 8.219 ppm2 3.029 CV 1 ASSI { 1204} (( segid " " and resid 1520 and name HN )) (( segid " " and resid 1520 and name HB2 )) 2.900 1.100 1.100 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.12163E-02 ppm1 8.230 ppm2 2.510 CV 1 ASSI { 1205} (( segid " " and resid 1542 and name HN )) ( segid " " and resid 1541 and name HB% ) 3.400 1.400 1.400 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.41876E-02 ppm1 8.223 ppm2 1.475 CV 1 ASSI { 1206} (( segid " " and resid 1520 and name HN )) ( segid " " and resid 1519 and name HG2%) 2.800 0.900 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.28809E-02 ppm1 8.223 ppm2 0.913 CV 1 ASSI { 1210} (( segid " " and resid 1572 and name HN )) ( segid " " and resid 1567 and name HD1 ) 4.100 2.100 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.79984E-03 ppm1 7.616 ppm2 6.876 CV 1 OR { 1210} (( segid " " and resid 1572 and name HN )) ( segid " " and resid 1567 and name HD2 ) ASSI { 1212} (( segid " " and resid 1572 and name HN )) (( segid " " and resid 1571 and name HA )) 2.800 0.800 0.800 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.26673E-02 ppm1 7.611 ppm2 3.829 CV 1 ASSI { 1215} (( segid " " and resid 1572 and name HN )) (( segid " " and resid 1572 and name HG11)) 2.200 0.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.37826E-02 ppm1 7.609 ppm2 1.536 CV 1 OR { 1215} (( segid " " and resid 1572 and name HN )) (( segid " " and resid 1572 and name HB )) ASSI { 1216} (( segid " " and resid 1572 and name HN )) (( segid " " and resid 1572 and name HG12)) 3.400 1.500 1.500 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 7.610 ppm2 1.199 CV 1 ASSI { 1217} (( segid " " and resid 1572 and name HN )) ( segid " " and resid 1572 and name HD1%) 3.800 1.800 1.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 7.613 ppm2 0.868 CV 1 OR { 1217} (( segid " " and resid 1572 and name HN )) ( segid " " and resid 1572 and name HG2%) ASSI { 1218} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1640 and name HE1 )) 4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.77312E-03 ppm1 7.959 ppm2 9.756 CV 1 ASSI { 1221} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1623 and name HA )) 3.000 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.12441E-02 ppm1 7.956 ppm2 3.989 CV 1 ASSI { 1222} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1622 and name HB1 )) 3.800 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 7.961 ppm2 3.302 CV 1 ASSI { 1223} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1622 and name HB2 )) 4.800 2.900 1.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.62444E-03 ppm1 7.954 ppm2 3.159 CV 1 ASSI { 1224} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1623 and name HD2 )) 4.100 2.200 0.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.91201E-03 ppm1 7.958 ppm2 3.095 CV 1 OR { 1224} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1623 and name HD1 )) ASSI { 1225} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1623 and name HB1 )) 3.300 1.200 1.200 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.11528E-02 ppm1 7.967 ppm2 1.860 CV 1 ASSI { 1226} (( segid " " and resid 1623 and name HN )) (( segid " " and resid 1623 and name HB2 )) 2.900 1.000 1.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.30785E-02 ppm1 7.958 ppm2 1.616 CV 1 ASSI { 1234} (( segid " " and resid 1519 and name HN )) (( segid " " and resid 1511 and name HD22)) 3.700 1.700 1.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 7.903 ppm2 7.734 CV 1 ASSI { 1238} (( segid " " and resid 1625 and name HN )) (( segid " " and resid 1625 and name HA )) 3.000 1.200 1.200 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.11567E-02 ppm1 8.692 ppm2 4.871 CV 1 ASSI { 1239} (( segid " " and resid 1625 and name HN )) (( segid " " and resid 1624 and name HA )) 2.300 0.600 0.600 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.34030E-02 ppm1 8.695 ppm2 4.145 CV 1 ASSI { 1243} (( segid " " and resid 1625 and name HN )) (( segid " " and resid 1625 and name HB2 )) 2.900 1.000 1.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 8.697 ppm2 2.040 CV 1 OR { 1243} (( segid " " and resid 1625 and name HN )) (( segid " " and resid 1625 and name HB1 )) ASSI { 1245} (( segid " " and resid 1625 and name HN )) ( segid " " and resid 1540 and name HB% ) 4.000 1.000 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 8.696 ppm2 1.328 CV 1 ASSI { 1249} (( segid " " and resid 1547 and name HN )) (( segid " " and resid 1547 and name HA )) 3.000 1.200 1.200 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.92416E-03 ppm1 8.457 ppm2 4.977 CV 1 ASSI { 1251} (( segid " " and resid 1547 and name HN )) (( segid " " and resid 1546 and name HA1 )) 2.800 0.600 0.600 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.61465E-02 ppm1 8.454 ppm2 4.309 CV 1 ASSI { 1253} (( segid " " and resid 1547 and name HN )) (( segid " " and resid 1547 and name HB )) 3.500 1.400 1.400 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.16417E-02 ppm1 8.456 ppm2 1.821 CV 1 ASSI { 1258} (( segid " " and resid 1543 and name HN )) (( segid " " and resid 1542 and name HA )) 2.400 0.700 0.700 peak 1258 spectrum 1 weight 0.11000E+01 volume 0.25738E-02 ppm1 8.157 ppm2 4.871 CV 1 ASSI { 1260} (( segid " " and resid 1543 and name HN )) (( segid " " and resid 1543 and name HA )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.36191E-02 ppm1 8.156 ppm2 4.299 CV 1 ASSI { 1261} (( segid " " and resid 1543 and name HN )) (( segid " " and resid 1543 and name HB2 )) 3.200 1.200 1.200 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.13368E-02 ppm1 8.156 ppm2 3.782 CV 1 ASSI { 1262} (( segid " " and resid 1543 and name HN )) (( segid " " and resid 1542 and name HB1 )) 3.400 1.400 1.400 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.14390E-02 ppm1 8.153 ppm2 3.030 CV 1 ASSI { 1263} (( segid " " and resid 1543 and name HN )) (( segid " " and resid 1542 and name HB2 )) 4.000 2.000 2.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.12519E-02 ppm1 8.156 ppm2 2.693 CV 1 ASSI { 1265} (( segid " " and resid 1543 and name HN )) ( segid " " and resid 1626 and name HD2%) 4.400 2.500 1.600 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.80241E-03 ppm1 8.155 ppm2 0.704 CV 1 ASSI { 1268} (( segid " " and resid 1510 and name HN )) (( segid " " and resid 1510 and name HA )) 3.500 1.500 1.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.91144E-03 ppm1 8.609 ppm2 4.805 CV 1 ASSI { 1269} (( segid " " and resid 1510 and name HN )) (( segid " " and resid 1509 and name HA )) 3.300 1.500 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.83040E-02 ppm1 8.609 ppm2 4.535 CV 1 OR { 1269} (( segid " " and resid 1515 and name HN )) (( segid " " and resid 1515 and name HA )) ASSI { 1270} (( segid " " and resid 1510 and name HN )) (( segid " " and resid 1510 and name HB1 )) 3.500 1.500 1.800 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 8.606 ppm2 4.002 CV 1 ASSI { 1271} (( segid " " and resid 1510 and name HN )) (( segid " " and resid 1510 and name HB2 )) 3.400 1.400 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.18713E-02 ppm1 8.611 ppm2 3.935 CV 1 ASSI { 1287} (( segid " " and resid 1646 and name HN )) (( segid " " and resid 1645 and name HN )) 2.500 0.800 0.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.45577E-02 ppm1 7.606 ppm2 7.175 CV 1 ASSI { 1295} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1516 and name HN )) 3.300 1.200 1.200 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.11636E-02 ppm1 7.783 ppm2 9.790 CV 1 ASSI { 1302} (( segid " " and resid 1621 and name HN )) (( segid " " and resid 1622 and name HN )) 3.000 1.100 1.100 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22077E-02 ppm1 8.166 ppm2 8.381 CV 1 ASSI { 1304} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1544 and name HN )) 3.800 1.800 1.600 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.17347E-02 ppm1 7.789 ppm2 8.454 CV 1 OR { 1304} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1547 and name HN )) ASSI { 1308} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1545 and name HA )) 3.700 1.700 1.700 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.11976E-02 ppm1 7.788 ppm2 4.661 CV 1 ASSI { 1309} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1546 and name HA1 )) 2.800 1.000 1.000 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.47847E-02 ppm1 7.789 ppm2 4.309 CV 1 ASSI { 1310} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1545 and name HB2 )) 3.500 1.500 1.500 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 7.794 ppm2 3.825 CV 1 ASSI { 1311} (( segid " " and resid 1546 and name HN )) (( segid " " and resid 1546 and name HA2 )) 2.500 0.800 0.800 peak 1311 spectrum 1 weight 0.11000E+01 volume 0.49364E-02 ppm1 7.789 ppm2 3.677 CV 1 ASSI { 1313} (( segid " " and resid 1586 and name HN )) ( segid " " and resid 1583 and name HE% ) 4.200 2.200 1.800 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.88676E-03 ppm1 6.608 ppm2 6.861 CV 1 OR { 1313} (( segid " " and resid 1586 and name HN )) ( segid " " and resid 1583 and name HD% ) ASSI { 1328} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1627 and name HN )) 2.800 1.000 0.600 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.31892E-02 ppm1 7.534 ppm2 9.279 CV 1 ASSI { 1329} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1637 and name HN )) 3.300 1.500 1.200 peak 1329 spectrum 1 weight 0.11000E+01 volume 0.14654E-02 ppm1 7.525 ppm2 8.573 CV 1 ASSI { 1335} (( segid " " and resid 1635 and name HN )) ( segid " " and resid 1637 and name HE% ) 5.000 3.100 1.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.89238E-03 ppm1 7.522 ppm2 7.319 CV 1 ASSI { 1337} (( segid " " and resid 1635 and name HN )) (( segid " " and resid 1635 and name HA )) 3.000 1.200 1.200 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.11226E-02 ppm1 7.527 ppm2 5.052 CV 1 ASSI { 1338} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1628 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.18311E-02 ppm1 7.528 ppm2 4.522 CV 1 ASSI { 1339} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1627 and name HA )) 3.500 1.500 1.500 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.16133E-02 ppm1 7.534 ppm2 4.197 CV 1 ASSI { 1340} (( segid " " and resid 1635 and name HN )) (( segid " " and resid 1634 and name HA )) 2.800 1.000 0.700 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.40099E-02 ppm1 7.522 ppm2 3.695 CV 1 OR { 1340} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1628 and name HB1 )) ASSI { 1345} (( segid " " and resid 1511 and name HD21)) (( segid " " and resid 1519 and name HN )) 3.100 1.200 1.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 6.981 ppm2 7.926 CV 1 ASSI { 1349} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1522 and name HB1 )) 3.300 1.000 1.000 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.30608E-02 ppm1 6.808 ppm2 4.013 CV 1 OR { 1349} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1522 and name HB2 )) ASSI { 1350} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1523 and name HB )) 3.400 1.400 1.400 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.20539E-02 ppm1 6.807 ppm2 4.541 CV 1 ASSI { 1356} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1638 and name HN )) 4.500 2.500 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.46771E-03 ppm1 8.568 ppm2 9.480 CV 1 ASSI { 1360} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1587 and name HN )) 4.200 2.200 1.800 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.90674E-03 ppm1 8.278 ppm2 7.693 CV 1 ASSI { 1361} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1612 and name HN )) 3.300 1.000 1.000 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.90047E-03 ppm1 8.278 ppm2 9.658 CV 1 ASSI { 1362} (( segid " " and resid 1514 and name HN )) (( segid " " and resid 1514 and name HB1 )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.27068E-02 ppm1 8.339 ppm2 2.791 CV 1 ASSI { 1363} (( segid " " and resid 1582 and name HN )) (( segid " " and resid 1588 and name HA )) 4.000 2.200 1.000 peak 1363 spectrum 1 weight 0.11000E+01 volume 0.61874E-03 ppm1 8.932 ppm2 5.464 CV 1 ASSI { 1366} (( segid " " and resid 1540 and name HN )) (( segid " " and resid 1547 and name HA )) 4.600 2.700 1.400 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.62134E-03 ppm1 8.830 ppm2 4.997 CV 1 ASSI { 1369} (( segid " " and resid 1535 and name HN )) (( segid " " and resid 1535 and name HD2 )) 4.800 2.900 1.200 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.76112E-03 ppm1 8.817 ppm2 3.229 CV 1 ASSI { 1372} (( segid " " and resid 1615 and name HN )) ( segid " " and resid 1645 and name HB% ) 4.800 2.800 1.200 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.97845E-03 ppm1 7.307 ppm2 1.197 CV 1 ASSI { 1376} (( segid " " and resid 1615 and name HN )) (( segid " " and resid 1615 and name HA )) 2.800 1.000 1.000 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.12386E-02 ppm1 7.309 ppm2 4.799 CV 1 ASSI { 1378} (( segid " " and resid 1615 and name HN )) (( segid " " and resid 1614 and name HN )) 4.200 2.300 1.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.98058E-03 ppm1 7.297 ppm2 9.215 CV 1 ASSI { 1380} (( segid " " and resid 1545 and name HN )) (( segid " " and resid 1546 and name HN )) 2.700 0.900 0.900 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.27553E-02 ppm1 8.223 ppm2 7.787 CV 1 ASSI { 1381} (( segid " " and resid 1532 and name HN )) (( segid " " and resid 1532 and name HB1 )) 3.300 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.18850E-02 ppm1 8.028 ppm2 1.710 CV 1 ASSI { 1382} (( segid " " and resid 1532 and name HN )) (( segid " " and resid 1532 and name HB2 )) 2.600 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.21352E-02 ppm1 8.032 ppm2 1.642 CV 1 ASSI { 1385} (( segid " " and resid 1587 and name HN )) ( segid " " and resid 1587 and name HG1%) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.83895E-02 ppm1 7.695 ppm2 0.896 CV 1 OR { 1385} (( segid " " and resid 1587 and name HN )) ( segid " " and resid 1587 and name HG2%) ASSI { 1386} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1587 and name HB )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.47462E-02 ppm1 7.695 ppm2 2.143 CV 1 ASSI { 1387} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1587 and name HA )) 2.800 1.000 1.000 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.25061E-02 ppm1 7.696 ppm2 4.523 CV 1 ASSI { 1388} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1585 and name HA )) 4.100 2.100 1.900 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.10914E-02 ppm1 7.695 ppm2 4.269 CV 1 ASSI { 1389} (( segid " " and resid 1587 and name HN )) (( segid " " and resid 1586 and name HA )) 3.000 1.100 1.100 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.22003E-02 ppm1 7.697 ppm2 3.614 CV 1 ASSI { 1390} (( segid " " and resid 1532 and name HN )) ( segid " " and resid 1532 and name HD1%) 3.500 1.500 1.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 8.029 ppm2 0.055 CV 1 ASSI { 1393} (( segid " " and resid 1571 and name HE )) (( segid " " and resid 1571 and name HD2 )) 3.100 1.200 1.200 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 6.978 ppm2 3.239 CV 1 OR { 1393} (( segid " " and resid 1571 and name HE )) (( segid " " and resid 1571 and name HD1 )) ASSI { 1394} (( segid " " and resid 1571 and name HE )) (( segid " " and resid 1571 and name HG1 )) 3.300 1.000 1.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.57236E-03 ppm1 6.961 ppm2 1.675 CV 1 OR { 1394} (( segid " " and resid 1571 and name HE )) (( segid " " and resid 1571 and name HG2 )) ASSI { 1396} (( segid " " and resid 1582 and name HE )) (( segid " " and resid 1582 and name HD2 )) 3.200 1.300 1.300 peak 1396 spectrum 1 weight 0.11000E+01 volume 0.12006E-02 ppm1 7.294 ppm2 3.238 CV 1 ASSI { 1398} (( segid " " and resid 1623 and name HE )) (( segid " " and resid 1538 and name HB1 )) 4.500 2.500 1.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 7.209 ppm2 3.294 CV 1 ASSI { 1403} (( segid " " and resid 1535 and name HE )) (( segid " " and resid 1535 and name HB1 )) 4.000 2.200 1.000 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.14851E-02 ppm1 7.877 ppm2 1.815 CV 1 OR { 1403} (( segid " " and resid 1535 and name HE )) (( segid " " and resid 1535 and name HB2 )) ASSI { 1407} (( segid " " and resid 1517 and name HN )) (( segid " " and resid 1518 and name HN )) 4.500 2.500 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.74602E-03 ppm1 7.778 ppm2 8.767 CV 1 ASSI { 1410} (( segid " " and resid 1518 and name HN )) (( segid " " and resid 1517 and name HA )) 2.400 0.700 0.700 peak 1410 spectrum 1 weight 0.11000E+01 volume 0.41449E-02 ppm1 8.755 ppm2 5.454 CV 1 ASSI { 1413} (( segid " " and resid 1518 and name HN )) (( segid " " and resid 1517 and name HB1 )) 3.100 1.200 1.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.17794E-02 ppm1 8.756 ppm2 1.975 CV 1 OR { 1413} (( segid " " and resid 1518 and name HN )) (( segid " " and resid 1517 and name HB2 )) ASSI { 1419} (( segid " " and resid 1542 and name HN )) (( segid " " and resid 1547 and name HA )) 2.800 0.900 0.900 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.13357E-02 ppm1 8.226 ppm2 4.964 CV 1 ASSI { 1421} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1521 and name HG1 )) 5.000 1.200 1.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.69839E-03 ppm1 6.808 ppm2 2.140 CV 1 OR { 1421} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1521 and name HG2 )) ASSI { 1422} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1520 and name HB2 )) 4.500 2.500 1.500 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.88555E-03 ppm1 6.815 ppm2 2.510 CV 1 ASSI { 1423} (( segid " " and resid 1523 and name HN )) (( segid " " and resid 1520 and name HB1 )) 3.300 1.300 1.300 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.78328E-03 ppm1 6.812 ppm2 3.283 CV 1 ASSI { 1424} (( segid " " and resid 1525 and name HN )) (( segid " " and resid 1520 and name HN )) 3.500 1.500 1.500 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.11283E-02 ppm1 7.907 ppm2 8.218 CV 1 ASSI { 1426} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1519 and name HA )) 4.500 2.500 1.300 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.85591E-03 ppm1 7.850 ppm2 5.546 CV 1 ASSI { 1427} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1525 and name HB2 )) 4.900 3.000 1.100 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.62031E-03 ppm1 7.863 ppm2 2.584 CV 1 ASSI { 1428} (( segid " " and resid 1526 and name HN )) (( segid " " and resid 1525 and name HB1 )) 4.400 2.400 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.55331E-03 ppm1 7.860 ppm2 2.980 CV 1 ASSI { 1429} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1518 and name HN )) 3.100 0.600 0.800 peak 1429 spectrum 1 weight 0.11000E+01 volume 0.12877E-02 ppm1 9.268 ppm2 8.755 CV 1 ASSI { 1430} (( segid " " and resid 1527 and name HN )) (( segid " " and resid 1520 and name HN )) 4.200 2.400 1.600 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.69661E-03 ppm1 9.272 ppm2 8.214 CV 1 ASSI { 1432} (( segid " " and resid 1528 and name HN )) (( segid " " and resid 1527 and name HN )) 4.000 2.000 2.000 peak 1432 spectrum 1 weight 0.11000E+01 volume 0.76493E-03 ppm1 8.479 ppm2 9.279 CV 1 ASSI { 1433} (( segid " " and resid 1529 and name HN )) ( segid " " and resid 1529 and name HD1%) 4.400 2.500 1.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.94788E-03 ppm1 8.356 ppm2 -0.307 CV 1 ASSI { 1437} (( segid " " and resid 1530 and name HN )) (( segid " " and resid 1531 and name HN )) 2.500 0.800 0.800 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.11034E-02 ppm1 9.036 ppm2 8.926 CV 1 ASSI { 1439} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1556 and name HD21)) 4.600 1.600 1.400 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.64991E-03 ppm1 9.359 ppm2 7.086 CV 1 ASSI { 1440} (( segid " " and resid 1538 and name HN )) (( segid " " and resid 1538 and name HB1 )) 4.000 2.000 2.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.60880E-03 ppm1 9.352 ppm2 3.220 CV 1 ASSI { 1445} (( segid " " and resid 1541 and name HN )) ( segid " " and resid 1547 and name HG2%) 4.000 1.800 1.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.78695E-03 ppm1 8.657 ppm2 0.678 CV 1 ASSI { 1453} (( segid " " and resid 1546 and name HN )) ( segid " " and resid 1542 and name HD% ) 4.300 2.300 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.55313E-03 ppm1 7.785 ppm2 6.945 CV 1 ASSI { 1459} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1568 and name HN )) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.12941E-02 ppm1 8.920 ppm2 9.020 CV 1 ASSI { 1461} (( segid " " and resid 1549 and name HN )) (( segid " " and resid 1565 and name HA )) 4.500 0.800 1.000 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.81388E-03 ppm1 8.916 ppm2 5.858 CV 1 ASSI { 1463} (( segid " " and resid 1549 and name HN )) ( segid " " and resid 1565 and name HB% ) 5.000 1.600 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.75414E-03 ppm1 8.910 ppm2 1.235 CV 1 ASSI { 1467} (( segid " " and resid 1550 and name HN )) (( segid " " and resid 1539 and name HA )) 3.700 1.800 1.800 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.11053E-02 ppm1 8.806 ppm2 5.489 CV 1 ASSI { 1471} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1550 and name HN )) 4.400 2.500 1.600 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.62056E-03 ppm1 9.419 ppm2 8.823 CV 1 ASSI { 1472} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1565 and name HA )) 3.300 1.400 1.400 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.21547E-02 ppm1 9.419 ppm2 5.826 CV 1 ASSI { 1473} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1551 and name HB2 )) 3.700 1.700 1.700 peak 1473 spectrum 1 weight 0.11000E+01 volume 0.84148E-03 ppm1 9.409 ppm2 3.649 CV 1 ASSI { 1475} (( segid " " and resid 1551 and name HN )) (( segid " " and resid 1550 and name HB1 )) 3.800 1.500 1.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 9.410 ppm2 1.883 CV 1 ASSI { 1478} (( segid " " and resid 1562 and name HN )) ( segid " " and resid 1563 and name HG1%) 4.300 2.300 1.700 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.61981E-03 ppm1 9.362 ppm2 0.940 CV 1 ASSI { 1479} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1556 and name HN )) 4.500 2.500 1.500 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.74798E-03 ppm1 8.220 ppm2 8.104 CV 1 ASSI { 1482} (( segid " " and resid 1563 and name HN )) (( segid " " and resid 1562 and name HA1 )) 3.700 1.700 1.700 peak 1482 spectrum 1 weight 0.11000E+01 volume 0.22739E-02 ppm1 8.215 ppm2 4.296 CV 1 ASSI { 1484} (( segid " " and resid 1565 and name HN )) (( segid " " and resid 1566 and name HN )) 3.800 1.900 1.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.64613E-03 ppm1 7.400 ppm2 9.221 CV 1 ASSI { 1489} (( segid " " and resid 1566 and name HN )) (( segid " " and resid 1550 and name HA )) 3.300 1.400 1.400 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.23691E-02 ppm1 9.206 ppm2 5.780 CV 1 ASSI { 1492} (( segid " " and resid 1567 and name HN )) ( segid " " and resid 1574 and name HG1%) 3.900 1.900 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.52477E-03 ppm1 8.560 ppm2 0.121 CV 1 ASSI { 1494} (( segid " " and resid 1568 and name HN )) ( segid " " and resid 1549 and name HE1 ) 4.800 1.500 1.200 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.69013E-03 ppm1 9.039 ppm2 6.770 CV 1 OR { 1494} (( segid " " and resid 1568 and name HN )) ( segid " " and resid 1549 and name HE2 ) ASSI { 1495} (( segid " " and resid 1568 and name HN )) (( segid " " and resid 1548 and name HA )) 2.800 1.000 1.000 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.76336E-03 ppm1 9.050 ppm2 4.652 CV 1 ASSI { 1500} (( segid " " and resid 1574 and name HN )) (( segid " " and resid 1565 and name HN )) 4.500 2.500 1.100 peak 1500 spectrum 1 weight 0.11000E+01 volume 0.85395E-03 ppm1 8.986 ppm2 7.413 CV 1 ASSI { 1506} (( segid " " and resid 1577 and name HN )) (( segid " " and resid 1578 and name HN )) 4.500 2.500 1.500 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.84081E-03 ppm1 7.985 ppm2 7.025 CV 1 ASSI { 1507} (( segid " " and resid 1578 and name HN )) (( segid " " and resid 1578 and name HD21)) 3.300 1.000 1.600 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.99882E-03 ppm1 7.027 ppm2 7.999 CV 1 ASSI { 1509} (( segid " " and resid 1578 and name HN )) ( segid " " and resid 1592 and name HE% ) 3.300 1.200 1.500 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.39208E-02 ppm1 7.023 ppm2 7.129 CV 1 ASSI { 1513} (( segid " " and resid 1583 and name HN )) (( segid " " and resid 1584 and name HN )) 4.200 2.200 1.800 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.98179E-03 ppm1 8.986 ppm2 8.750 CV 1 ASSI { 1514} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1583 and name HB1 )) 4.800 2.900 1.200 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.69860E-03 ppm1 8.745 ppm2 3.125 CV 1 ASSI { 1516} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1586 and name HN )) 4.200 2.200 1.800 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.71396E-03 ppm1 8.741 ppm2 6.606 CV 1 ASSI { 1519} (( segid " " and resid 1584 and name HN )) (( segid " " and resid 1589 and name HN )) 4.500 1.000 1.500 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.69462E-03 ppm1 8.756 ppm2 9.451 CV 1 ASSI { 1525} (( segid " " and resid 1588 and name HN )) ( segid " " and resid 1612 and name HD% ) 5.000 0.800 1.000 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.63263E-03 ppm1 8.267 ppm2 6.725 CV 1 ASSI { 1526} (( segid " " and resid 1588 and name HN )) (( segid " " and resid 1587 and name HA )) 2.200 0.600 0.600 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.56029E-02 ppm1 8.273 ppm2 4.519 CV 1 ASSI { 1530} (( segid " " and resid 1590 and name HN )) (( segid " " and resid 1590 and name HA )) 3.300 1.400 1.400 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.61258E-03 ppm1 8.963 ppm2 4.872 CV 1 ASSI { 1531} (( segid " " and resid 1591 and name HN )) (( segid " " and resid 1590 and name HN )) 4.200 2.200 1.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 9.449 ppm2 8.984 CV 1 ASSI { 1536} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1594 and name HB2 )) 4.000 2.000 2.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.96687E-03 ppm1 8.190 ppm2 3.035 CV 1 OR { 1536} (( segid " " and resid 1595 and name HN )) (( segid " " and resid 1594 and name HB1 )) ASSI { 1547} (( segid " " and resid 1605 and name HN )) (( segid " " and resid 1605 and name HB1 )) 2.900 1.100 1.100 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.17515E-02 ppm1 8.394 ppm2 3.869 CV 1 ASSI { 1550} (( segid " " and resid 1607 and name HN )) (( segid " " and resid 1636 and name HN )) 4.000 2.000 1.000 peak 1550 spectrum 1 weight 0.11000E+01 volume 0.81811E-03 ppm1 8.435 ppm2 9.210 CV 1 ASSI { 1552} (( segid " " and resid 1608 and name HN )) (( segid " " and resid 1608 and name HA )) 3.200 1.300 1.300 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.82086E-03 ppm1 9.310 ppm2 5.622 CV 1 ASSI { 1555} (( segid " " and resid 1609 and name HN )) ( segid " " and resid 1638 and name HE1 ) 4.300 2.300 1.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.52064E-03 ppm1 9.195 ppm2 6.796 CV 1 OR { 1555} (( segid " " and resid 1609 and name HN )) ( segid " " and resid 1638 and name HE2 ) ASSI { 1558} (( segid " " and resid 1611 and name HN )) (( segid " " and resid 1611 and name HA )) 3.100 1.200 1.200 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.86699E-03 ppm1 8.314 ppm2 5.332 CV 1 ASSI { 1560} (( segid " " and resid 1611 and name HN )) ( segid " " and resid 1610 and name HG2%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.25517E-02 ppm1 8.303 ppm2 0.178 CV 1 OR { 1560} (( segid " " and resid 1611 and name HN )) ( segid " " and resid 1610 and name HD1%) ASSI { 1563} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1612 and name HA )) 2.800 1.000 1.000 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.13019E-02 ppm1 9.676 ppm2 5.395 CV 1 ASSI { 1564} (( segid " " and resid 1612 and name HN )) (( segid " " and resid 1611 and name HB1 )) 4.500 2.700 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.54807E-03 ppm1 9.671 ppm2 3.883 CV 1 ASSI { 1567} (( segid " " and resid 1613 and name HN )) ( segid " " and resid 1612 and name HD% ) 5.100 3.200 0.900 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.68824E-03 ppm1 8.407 ppm2 6.686 CV 1 ASSI { 1568} (( segid " " and resid 1613 and name HN )) (( segid " " and resid 1641 and name HA )) 3.000 0.900 1.000 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.31818E-02 ppm1 8.409 ppm2 5.480 CV 1 ASSI { 1569} (( segid " " and resid 1614 and name HN )) (( segid " " and resid 1614 and name HA )) 2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.35089E-02 ppm1 9.215 ppm2 4.484 CV 1 ASSI { 1574} (( segid " " and resid 1626 and name HN )) (( segid " " and resid 1625 and name HG2 )) 4.800 2.900 1.200 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.64044E-03 ppm1 9.344 ppm2 2.552 CV 1 ASSI { 1575} (( segid " " and resid 1627 and name HN )) (( segid " " and resid 1639 and name HN )) 3.900 1.900 1.900 peak 1575 spectrum 1 weight 0.11000E+01 volume 0.11620E-02 ppm1 9.286 ppm2 9.358 CV 1 ASSI { 1578} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1638 and name HA )) 5.000 3.100 1.000 peak 1578 spectrum 1 weight 0.11000E+01 volume 0.48107E-03 ppm1 7.527 ppm2 5.771 CV 1 ASSI { 1580} (( segid " " and resid 1628 and name HN )) (( segid " " and resid 1628 and name HB2 )) 3.300 1.100 1.100 peak 1580 spectrum 1 weight 0.11000E+01 volume 0.15690E-02 ppm1 7.536 ppm2 3.782 CV 1 ASSI { 1581} (( segid " " and resid 1635 and name HN )) (( segid " " and resid 1630 and name HN )) 3.300 1.400 1.200 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.25741E-02 ppm1 7.524 ppm2 9.316 CV 1 ASSI { 1586} (( segid " " and resid 1630 and name HN )) (( segid " " and resid 1637 and name HN )) 4.600 2.600 1.400 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.87863E-03 ppm1 9.329 ppm2 8.547 CV 1 ASSI { 1587} (( segid " " and resid 1630 and name HN )) ( segid " " and resid 1637 and name HD% ) 4.000 2.200 1.500 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.88594E-03 ppm1 9.329 ppm2 7.200 CV 1 ASSI { 1590} (( segid " " and resid 1634 and name HN )) (( segid " " and resid 1634 and name HB2 )) 3.700 1.700 1.700 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.15736E-02 ppm1 8.046 ppm2 2.704 CV 1 ASSI { 1597} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1636 and name HB2 )) 3.400 1.500 1.500 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 8.574 ppm2 1.236 CV 1 ASSI { 1598} (( segid " " and resid 1637 and name HN )) (( segid " " and resid 1636 and name HG )) 4.200 1.000 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.13627E-02 ppm1 8.578 ppm2 1.556 CV 1 ASSI { 1600} (( segid " " and resid 1638 and name HN )) (( segid " " and resid 1610 and name HA )) 3.500 1.000 1.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.63424E-03 ppm1 9.482 ppm2 4.368 CV 1 ASSI { 1601} (( segid " " and resid 1638 and name HN )) ( segid " " and resid 1609 and name HG2%) 4.300 2.300 1.700 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.65087E-03 ppm1 9.482 ppm2 0.925 CV 1 ASSI { 1604} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1623 and name HA )) 3.700 1.700 1.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.65579E-03 ppm1 9.751 ppm2 3.990 CV 1 ASSI { 1606} (( segid " " and resid 1640 and name HE1 )) (( segid " " and resid 1623 and name HB1 )) 5.00 1.200 1.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.62412E-03 ppm1 9.746 ppm2 1.849 CV 1 ASSI { 1609} (( segid " " and resid 1642 and name HN )) (( segid " " and resid 1641 and name HB2 )) 4.000 2.200 1.200 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.72910E-03 ppm1 9.062 ppm2 2.967 CV 1 ASSI { 1614} (( segid " " and resid 1575 and name HN )) (( segid " " and resid 1595 and name HA2 )) 4.000 1.200 0.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.72813E-03 ppm1 7.819 ppm2 3.559 CV 1 ASSI { 1615} (( segid " " and resid 1575 and name HN )) ( segid " " and resid 1574 and name HG1%) 4.700 2.700 1.300 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.87368E-03 ppm1 7.820 ppm2 0.095 CV 1 ASSI { 1616} (( segid " " and resid 1575 and name HN )) ( segid " " and resid 1574 and name HG2%) 3.500 1.900 1.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.13057E-02 ppm1 7.814 ppm2 0.441 CV 1 ASSI { 1618} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1600 and name HA )) 2.600 0.900 0.900 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.53895E-02 ppm1 7.465 ppm2 4.391 CV 1 ASSI { 1619} (( segid " " and resid 1600 and name HN )) (( segid " " and resid 1598 and name HA )) 4.000 1.200 1.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.77409E-03 ppm1 7.465 ppm2 4.682 CV 1 ASSI { 1621} (( segid " " and resid 1638 and name HN )) (( segid " " and resid 1638 and name HA )) 3.300 1.300 1.300 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.70078E-03 ppm1 9.488 ppm2 5.783 CV 1 ASSI { 1622} (( segid " " and resid 1591 and name HN )) (( segid " " and resid 1590 and name HB1 )) 3.400 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.22491E-02 ppm1 9.442 ppm2 1.436 CV 1 OR { 1622} (( segid " " and resid 1591 and name HN )) (( segid " " and resid 1590 and name HB2 )) !13C NOESY ASSI { 2} ( segid " " and resid 1527 and name HD% ) ( segid " " and resid 1527 and name HE% ) 2.800 0.800 0.800 peak 2 spectrum 1 weight 0.11000E+01 volume 0.36074E-02 ppm1 7.534 ppm2 7.004 CV 1 ASSI { 4} ( segid " " and resid 1567 and name HD% ) ( segid " " and resid 1567 and name HE% ) 2.800 0.500 0.500 peak 4 spectrum 1 weight 0.11000E+01 volume 0.11312E-01 ppm1 6.871 ppm2 6.493 CV 1 ASSI { 8} ( segid " " and resid 1567 and name HD% ) (( segid " " and resid 1567 and name HN )) 3.300 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 6.866 ppm2 8.577 CV 1 ASSI { 11} ( segid " " and resid 1538 and name HD% ) ( segid " " and resid 1538 and name HE% ) 2.800 0.900 0.900 peak 11 spectrum 1 weight 0.11000E+01 volume 0.35767E-02 ppm1 7.466 ppm2 7.939 CV 1 ASSI { 17} ( segid " " and resid 1538 and name HE% ) (( segid " " and resid 1538 and name HZ )) 3.200 1.000 1.200 peak 17 spectrum 1 weight 0.11000E+01 volume 0.17154E-02 ppm1 7.933 ppm2 7.715 CV 1 ASSI { 22} ( segid " " and resid 1538 and name HD% ) (( segid " " and resid 1538 and name HB2 )) 3.200 1.300 1.300 peak 22 spectrum 1 weight 0.11000E+01 volume 0.13060E-02 ppm1 7.467 ppm2 2.512 CV 1 ASSI { 23} ( segid " " and resid 1538 and name HD% ) (( segid " " and resid 1538 and name HA )) 3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10017E-02 ppm1 7.451 ppm2 5.022 CV 1 ASSI { 26} ( segid " " and resid 1527 and name HD% ) (( segid " " and resid 1527 and name HB1 )) 2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.531 ppm2 3.065 CV 1 ASSI { 27} ( segid " " and resid 1527 and name HD% ) (( segid " " and resid 1527 and name HB2 )) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.17285E-02 ppm1 7.521 ppm2 2.720 CV 1 ASSI { 30} ( segid " " and resid 1527 and name HD% ) ( segid " " and resid 1518 and name HG1%) 3.500 1.500 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.21618E-02 ppm1 7.530 ppm2 0.768 CV 1 ASSI { 32} ( segid " " and resid 1527 and name HD% ) ( segid " " and resid 1588 and name HD1%) 4.200 1.300 1.300 peak 32 spectrum 1 weight 0.11000E+01 volume 0.17121E-02 ppm1 7.529 ppm2 0.194 CV 1 ASSI { 33} ( segid " " and resid 1527 and name HD% ) (( segid " " and resid 1645 and name HA )) 4.500 0.800 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.16225E-02 ppm1 7.532 ppm2 4.584 CV 1 ASSI { 34} ( segid " " and resid 1527 and name HD% ) (( segid " " and resid 1527 and name HA )) 2.900 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11067E-02 ppm1 7.536 ppm2 4.751 CV 1 ASSI { 51} (( segid " " and resid 1567 and name HZ )) ( segid " " and resid 1567 and name HE% ) 2.800 0.900 0.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.29041E-02 ppm1 6.799 ppm2 6.488 CV 1 ASSI { 55} ( segid " " and resid 1542 and name HD% ) (( segid " " and resid 1542 and name HB2 )) 2.800 0.900 0.900 peak 55 spectrum 1 weight 0.11000E+01 volume 0.34876E-02 ppm1 6.945 ppm2 2.696 CV 1 ASSI { 56} ( segid " " and resid 1542 and name HD% ) (( segid " " and resid 1543 and name HB2 )) 4.000 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 6.940 ppm2 3.816 CV 1 OR { 56} ( segid " " and resid 1542 and name HD% ) (( segid " " and resid 1543 and name HB1 )) ASSI { 57} ( segid " " and resid 1542 and name HD% ) (( segid " " and resid 1542 and name HA )) 2.800 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.17149E-02 ppm1 6.940 ppm2 4.877 CV 1 ASSI { 58} ( segid " " and resid 1542 and name HD% ) ( segid " " and resid 1548 and name HG2%) 4.000 0.900 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.26261E-02 ppm1 6.946 ppm2 0.837 CV 1 ASSI { 59} ( segid " " and resid 1542 and name HD% ) ( segid " " and resid 1626 and name HD2%) 3.500 0.800 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.25747E-02 ppm1 6.940 ppm2 0.702 CV 1 OR { 59} ( segid " " and resid 1542 and name HD% ) ( segid " " and resid 1636 and name HD2%) ASSI { 61} ( segid " " and resid 1542 and name HD% ) (( segid " " and resid 1542 and name HB1 )) 2.800 0.700 0.700 peak 61 spectrum 1 weight 0.11000E+01 volume 0.31910E-02 ppm1 6.943 ppm2 3.034 CV 1 ASSI { 63} ( segid " " and resid 1542 and name HE% ) ( segid " " and resid 1542 and name HD% ) 2.800 1.000 0.500 peak 63 spectrum 1 weight 0.11000E+01 volume 0.32068E-01 ppm1 6.670 ppm2 6.941 CV 1 ASSI { 67} ( segid " " and resid 1542 and name HE% ) ( segid " " and resid 1548 and name HG2%) 4.000 1.800 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.24206E-02 ppm1 6.671 ppm2 0.829 CV 1 ASSI { 70} ( segid " " and resid 1542 and name HE% ) (( segid " " and resid 1542 and name HB1 )) 4.100 2.100 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 6.671 ppm2 3.042 CV 1 ASSI { 71} ( segid " " and resid 1542 and name HE% ) (( segid " " and resid 1542 and name HB2 )) 4.100 2.100 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.15107E-02 ppm1 6.672 ppm2 2.691 CV 1 ASSI { 72} ( segid " " and resid 1549 and name HE% ) ( segid " " and resid 1549 and name HD% ) 2.800 0.600 0.600 peak 72 spectrum 1 weight 0.11000E+01 volume 0.11622E-01 ppm1 6.764 ppm2 7.119 CV 1 ASSI { 76} ( segid " " and resid 1549 and name HE% ) ( segid " " and resid 1539 and name HG2%) 3.800 1.000 1.500 peak 76 spectrum 1 weight 0.11000E+01 volume 0.42432E-02 ppm1 6.761 ppm2 1.141 CV 1 ASSI { 77} ( segid " " and resid 1606 and name HE1 ) ( segid " " and resid 1636 and name HD1%) 3.600 1.200 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.62986E-02 ppm1 6.808 ppm2 0.887 CV 1 OR { 77} ( segid " " and resid 1606 and name HE2 ) ( segid " " and resid 1636 and name HD1%) ASSI { 78} ( segid " " and resid 1583 and name HE% ) (( segid " " and resid 1583 and name HB2 )) 4.500 2.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 6.859 ppm2 2.642 CV 1 ASSI { 80} ( segid " " and resid 1606 and name HE% ) (( segid " " and resid 1598 and name HB2 )) 4.500 2.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 6.823 ppm2 2.218 CV 1 ASSI { 82} ( segid " " and resid 1583 and name HE% ) (( segid " " and resid 1586 and name HG1 )) 4.500 2.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11406E-02 ppm1 6.858 ppm2 2.509 CV 1 ASSI { 91} ( segid " " and resid 1549 and name HD% ) (( segid " " and resid 1549 and name HB2 )) 2.700 0.900 0.900 peak 91 spectrum 1 weight 0.11000E+01 volume 0.24549E-02 ppm1 7.119 ppm2 2.794 CV 1 ASSI { 96} ( segid " " and resid 1549 and name HE% ) (( segid " " and resid 1568 and name HA2 )) 3.300 0.900 1.200 peak 96 spectrum 1 weight 0.11000E+01 volume 0.30801E-02 ppm1 6.765 ppm2 4.156 CV 1 ASSI { 97} ( segid " " and resid 1583 and name HE% ) ( segid " " and resid 1588 and name HD1%) 4.000 2.200 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.24728E-02 ppm1 6.764 ppm2 0.513 CV 1 ASSI { 98} ( segid " " and resid 1606 and name HE% ) ( segid " " and resid 1606 and name HD% ) 2.800 0.600 0.600 peak 98 spectrum 1 weight 0.11000E+01 volume 0.83172E-02 ppm1 6.803 ppm2 7.174 CV 1 ASSI { 104} ( segid " " and resid 1606 and name HD% ) (( segid " " and resid 1606 and name HB2 )) 2.800 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 7.175 ppm2 2.929 CV 1 ASSI { 105} ( segid " " and resid 1606 and name HD% ) (( segid " " and resid 1606 and name HB1 )) 2.900 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 7.177 ppm2 3.167 CV 1 ASSI { 108} ( segid " " and resid 1606 and name HD1 ) ( segid " " and resid 1636 and name HD2%) 4.000 0.800 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 7.167 ppm2 0.901 CV 1 OR { 108} ( segid " " and resid 1606 and name HD2 ) ( segid " " and resid 1636 and name HD2%) ASSI { 117} ( segid " " and resid 1612 and name HD% ) (( segid " " and resid 1588 and name HB2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 6.686 ppm2 1.364 CV 1 OR { 117} ( segid " " and resid 1612 and name HD% ) (( segid " " and resid 1588 and name HG )) ASSI { 118} ( segid " " and resid 1612 and name HD% ) (( segid " " and resid 1588 and name HB1 )) 4.000 2.200 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.55840E-03 ppm1 6.703 ppm2 1.761 CV 1 ASSI { 119} ( segid " " and resid 1612 and name HD% ) (( segid " " and resid 1612 and name HB2 )) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 6.689 ppm2 2.463 CV 1 ASSI { 121} ( segid " " and resid 1612 and name HE% ) ( segid " " and resid 1612 and name HD% ) 2.800 0.600 0.600 peak 121 spectrum 1 weight 0.11000E+01 volume 0.34609E-02 ppm1 6.371 ppm2 6.687 CV 1 ASSI { 123} ( segid " " and resid 1612 and name HE% ) ( segid " " and resid 1642 and name HG2%) 4.000 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 6.362 ppm2 1.131 CV 1 ASSI { 125} ( segid " " and resid 1612 and name HE% ) ( segid " " and resid 1610 and name HG2%) 5.000 2.400 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 6.368 ppm2 0.175 CV 1 ASSI { 131} (( segid " " and resid 1638 and name HZ )) ( segid " " and resid 1548 and name HG1%) 3.300 1.000 1.000 peak 131 spectrum 1 weight 0.11000E+01 volume 0.23184E-02 ppm1 6.946 ppm2 0.754 CV 1 ASSI { 136} ( segid " " and resid 1638 and name HD% ) ( segid " " and resid 1540 and name HB% ) 4.000 1.500 1.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 7.105 ppm2 1.290 CV 1 ASSI { 138} ( segid " " and resid 1638 and name HE% ) ( segid " " and resid 1638 and name HD% ) 2.800 0.700 0.700 peak 138 spectrum 1 weight 0.11000E+01 volume 0.31944E-02 ppm1 6.797 ppm2 7.096 CV 1 ASSI { 140} ( segid " " and resid 1638 and name HE% ) ( segid " " and resid 1626 and name HD1%) 4.000 1.700 1.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.14908E-02 ppm1 6.794 ppm2 0.177 CV 1 ASSI { 145} (( segid " " and resid 1638 and name HZ )) ( segid " " and resid 1638 and name HD% ) 4.000 2.000 2.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 6.954 ppm2 7.110 CV 1 ASSI { 150} ( segid " " and resid 1637 and name HD% ) (( segid " " and resid 1637 and name HB2 )) 2.800 0.800 0.800 peak 150 spectrum 1 weight 0.11000E+01 volume 0.29635E-02 ppm1 7.207 ppm2 2.924 CV 1 OR { 150} ( segid " " and resid 1637 and name HD% ) (( segid " " and resid 1637 and name HB1 )) ASSI { 151} ( segid " " and resid 1637 and name HD% ) (( segid " " and resid 1609 and name HB )) 3.800 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.12922E-02 ppm1 7.203 ppm2 1.982 CV 1 ASSI { 152} ( segid " " and resid 1637 and name HD% ) ( segid " " and resid 1609 and name HG1%) 4.500 1.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.13246E-02 ppm1 7.209 ppm2 0.714 CV 1 ASSI { 153} ( segid " " and resid 1637 and name HD% ) ( segid " " and resid 1609 and name HG2%) 3.700 1.700 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.20090E-02 ppm1 7.206 ppm2 0.922 CV 1 ASSI { 154} ( segid " " and resid 1637 and name HD% ) ( segid " " and resid 1637 and name HE% ) 2.800 0.700 0.700 peak 154 spectrum 1 weight 0.11000E+01 volume 0.68913E-02 ppm1 7.205 ppm2 7.298 CV 1 ASSI { 157} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1583 and name HB2 )) 2.800 1.000 1.000 peak 157 spectrum 1 weight 0.11000E+01 volume 0.26027E-02 ppm1 6.887 ppm2 2.647 CV 1 ASSI { 158} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1583 and name HB1 )) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.11000E+01 volume 0.23962E-02 ppm1 6.887 ppm2 3.140 CV 1 ASSI { 159} ( segid " " and resid 1583 and name HD% ) ( segid " " and resid 1588 and name HD1%) 3.700 1.700 1.700 peak 159 spectrum 1 weight 0.11000E+01 volume 0.36750E-02 ppm1 6.888 ppm2 0.188 CV 1 ASSI { 160} ( segid " " and resid 1583 and name HD% ) ( segid " " and resid 1518 and name HG2%) 4.500 1.200 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 6.882 ppm2 0.784 CV 1 ASSI { 162} ( segid " " and resid 1583 and name HE% ) (( segid " " and resid 1586 and name HA )) 3.300 0.900 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.20001E-02 ppm1 6.843 ppm2 3.605 CV 1 ASSI { 164} ( segid " " and resid 1583 and name HE% ) ( segid " " and resid 1588 and name HD2%) 4.000 1.600 1.600 peak 164 spectrum 1 weight 0.11000E+01 volume 0.27454E-02 ppm1 6.842 ppm2 0.189 CV 1 ASSI { 166} ( segid " " and resid 1549 and name HE% ) (( segid " " and resid 1549 and name HB2 )) 4.700 2.700 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 6.751 ppm2 2.801 CV 1 ASSI { 180} (( segid " " and resid 1640 and name HD1 )) (( segid " " and resid 1642 and name HB )) 4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 6.976 ppm2 4.402 CV 1 ASSI { 182} (( segid " " and resid 1640 and name HB1 )) (( segid " " and resid 1640 and name HB2 )) 2.200 0.500 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.16516E-02 ppm1 3.050 ppm2 2.313 CV 1 ASSI { 183} (( segid " " and resid 1640 and name HB1 )) (( segid " " and resid 1640 and name HN )) 3.100 1.200 1.200 peak 183 spectrum 1 weight 0.10000E+01 volume 0.11396E-02 ppm1 3.058 ppm2 9.023 CV 1 ASSI { 195} (( segid " " and resid 1641 and name HA )) (( segid " " and resid 1641 and name HB1 )) 2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.22382E-02 ppm1 5.485 ppm2 3.310 CV 1 ASSI { 196} (( segid " " and resid 1641 and name HB2 )) (( segid " " and resid 1641 and name HB1 )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.11000E+01 volume 0.25055E-02 ppm1 2.975 ppm2 3.306 CV 1 ASSI { 199} (( segid " " and resid 1513 and name HB2 )) (( segid " " and resid 1513 and name HA )) 3.300 1.300 1.300 peak 199 spectrum 1 weight 0.11000E+01 volume 0.18393E-02 ppm1 3.319 ppm2 4.739 CV 1 ASSI { 202} (( segid " " and resid 1525 and name HB1 )) (( segid " " and resid 1525 and name HB2 )) 2.300 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 2.973 ppm2 2.579 CV 1 ASSI { 205} ( segid " " and resid 1592 and name HE% ) ( segid " " and resid 1592 and name HD% ) 2.400 0.700 0.700 peak 205 spectrum 1 weight 0.11000E+01 volume 0.39696E-02 ppm1 7.126 ppm2 6.874 CV 1 ASSI { 215} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1584 and name HA )) 3.800 1.700 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.99098E-03 ppm1 6.891 ppm2 4.306 CV 1 ASSI { 216} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1520 and name HA )) 4.700 1.000 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 6.890 ppm2 4.141 CV 1 ASSI { 217} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1583 and name HA )) 3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11049E-02 ppm1 6.889 ppm2 4.920 CV 1 ASSI { 218} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1521 and name HD2 )) 4.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 6.884 ppm2 3.835 CV 1 OR { 218} ( segid " " and resid 1583 and name HD% ) (( segid " " and resid 1521 and name HD1 )) ASSI { 222} (( segid " " and resid 1648 and name HA )) (( segid " " and resid 1648 and name HD1 )) 3.800 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.15992E-02 ppm1 4.417 ppm2 3.366 CV 1 ASSI { 224} (( segid " " and resid 1648 and name HA )) (( segid " " and resid 1649 and name HA )) 4.500 2.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.14271E-02 ppm1 4.413 ppm2 4.163 CV 1 ASSI { 226} (( segid " " and resid 1646 and name HB1 )) (( segid " " and resid 1646 and name HN )) 2.900 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.29100E-02 ppm1 3.342 ppm2 7.605 CV 1 ASSI { 227} (( segid " " and resid 1646 and name HB2 )) (( segid " " and resid 1646 and name HN )) 3.400 1.400 1.400 peak 227 spectrum 1 weight 0.11000E+01 volume 0.35224E-02 ppm1 3.075 ppm2 7.617 CV 1 ASSI { 228} (( segid " " and resid 1646 and name HB1 )) (( segid " " and resid 1647 and name HN )) 3.900 1.900 1.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 3.336 ppm2 9.028 CV 1 ASSI { 232} (( segid " " and resid 1544 and name HE2 )) (( segid " " and resid 1544 and name HA )) 4.000 2.000 2.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.24287E-02 ppm1 3.079 ppm2 4.223 CV 1 OR { 232} (( segid " " and resid 1544 and name HE1 )) (( segid " " and resid 1544 and name HA )) ASSI { 233} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1648 and name HD1 )) 2.500 0.500 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.93805E-02 ppm1 4.272 ppm2 3.371 CV 1 ASSI { 234} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1648 and name HD2 )) 2.200 0.600 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.75984E-02 ppm1 4.272 ppm2 3.268 CV 1 ASSI { 237} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1648 and name HG2 )) 4.200 2.200 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.29768E-02 ppm1 4.271 ppm2 1.954 CV 1 OR { 237} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1648 and name HB2 )) ASSI { 239} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1647 and name HB2 )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.59049E-02 ppm1 4.269 ppm2 1.627 CV 1 OR { 239} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1647 and name HB1 )) ASSI { 240} (( segid " " and resid 1647 and name HA )) (( segid " " and resid 1647 and name HG2 )) 3.000 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 4.271 ppm2 1.835 CV 1 ASSI { 241} (( segid " " and resid 1649 and name HB1 )) (( segid " " and resid 1649 and name HA )) 3.000 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.38713E-02 ppm1 2.103 ppm2 4.166 CV 1 ASSI { 242} (( segid " " and resid 1623 and name HB2 )) (( segid " " and resid 1623 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.14254E-02 ppm1 1.618 ppm2 4.001 CV 1 ASSI { 244} (( segid " " and resid 1607 and name HD2 )) (( segid " " and resid 1607 and name HE2 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.30841E-02 ppm1 1.605 ppm2 2.964 CV 1 OR { 244} (( segid " " and resid 1607 and name HD2 )) (( segid " " and resid 1607 and name HE1 )) ASSI { 245} (( segid " " and resid 1607 and name HD1 )) (( segid " " and resid 1607 and name HE1 )) 2.600 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.32379E-02 ppm1 1.690 ppm2 2.956 CV 1 OR { 245} (( segid " " and resid 1607 and name HD1 )) (( segid " " and resid 1607 and name HE2 )) ASSI { 246} (( segid " " and resid 1647 and name HB2 )) (( segid " " and resid 1648 and name HD2 )) 3.300 1.200 1.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.38197E-02 ppm1 1.631 ppm2 3.282 CV 1 OR { 246} (( segid " " and resid 1647 and name HB1 )) (( segid " " and resid 1648 and name HD2 )) ASSI { 247} (( segid " " and resid 1520 and name HB2 )) (( segid " " and resid 1520 and name HB1 )) 2.200 0.600 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 2.495 ppm2 3.279 CV 1 ASSI { 250} (( segid " " and resid 1520 and name HB1 )) (( segid " " and resid 1520 and name HN )) 2.900 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 3.282 ppm2 8.243 CV 1 ASSI { 252} (( segid " " and resid 1520 and name HB2 )) ( segid " " and resid 1527 and name HE% ) 2.800 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 2.500 ppm2 7.014 CV 1 ASSI { 253} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1525 and name HA )) 3.300 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.64325E-02 ppm1 1.165 ppm2 4.012 CV 1 ASSI { 254} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1523 and name HB )) 2.400 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.86959E-02 ppm1 1.164 ppm2 4.554 CV 1 ASSI { 255} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1523 and name HA )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.89142E-02 ppm1 1.164 ppm2 4.367 CV 1 ASSI { 256} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1520 and name HD22)) 3.500 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.24590E-02 ppm1 1.163 ppm2 9.684 CV 1 ASSI { 257} (( segid " " and resid 1556 and name HB2 )) (( segid " " and resid 1556 and name HB1 )) 2.200 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.25961E-02 ppm1 2.153 ppm2 2.638 CV 1 ASSI { 263} (( segid " " and resid 1556 and name HB2 )) (( segid " " and resid 1556 and name HN )) 3.300 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 2.143 ppm2 8.056 CV 1 ASSI { 264} (( segid " " and resid 1556 and name HB2 )) (( segid " " and resid 1556 and name HA )) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.88964E-03 ppm1 2.155 ppm2 5.532 CV 1 ASSI { 265} (( segid " " and resid 1578 and name HB1 )) (( segid " " and resid 1578 and name HA )) 2.800 1.100 1.100 peak 265 spectrum 1 weight 0.11000E+01 volume 0.26817E-02 ppm1 3.023 ppm2 4.666 CV 1 OR { 265} (( segid " " and resid 1578 and name HB2 )) (( segid " " and resid 1578 and name HA )) ASSI { 267} (( segid " " and resid 1578 and name HB1 )) (( segid " " and resid 1580 and name HN )) 4.000 2.200 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.13790E-02 ppm1 3.007 ppm2 8.545 CV 1 ASSI { 268} (( segid " " and resid 1578 and name HB1 )) (( segid " " and resid 1579 and name HN )) 3.300 1.500 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.32273E-02 ppm1 3.016 ppm2 8.797 CV 1 ASSI { 273} (( segid " " and resid 1589 and name HG1 )) (( segid " " and resid 1589 and name HB1 )) 2.800 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.44096E-02 ppm1 2.188 ppm2 1.857 CV 1 ASSI { 274} (( segid " " and resid 1589 and name HG1 )) (( segid " " and resid 1589 and name HB2 )) 2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.41713E-02 ppm1 2.182 ppm2 1.743 CV 1 ASSI { 277} (( segid " " and resid 1589 and name HG2 )) (( segid " " and resid 1589 and name HA )) 3.500 1.500 1.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.12217E-02 ppm1 2.104 ppm2 6.014 CV 1 ASSI { 279} (( segid " " and resid 1589 and name HG1 )) (( segid " " and resid 1589 and name HE22)) 4.000 2.000 2.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.15734E-02 ppm1 2.171 ppm2 7.045 CV 1 ASSI { 280} (( segid " " and resid 1589 and name HG2 )) (( segid " " and resid 1589 and name HE22)) 4.100 2.100 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16022E-02 ppm1 2.100 ppm2 7.057 CV 1 ASSI { 285} (( segid " " and resid 1589 and name HG1 )) (( segid " " and resid 1589 and name HE21)) 3.200 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 2.183 ppm2 6.722 CV 1 ASSI { 288} (( segid " " and resid 1593 and name HB2 )) (( segid " " and resid 1594 and name HN )) 3.300 1.200 1.200 peak 288 spectrum 1 weight 0.10000E+01 volume 0.19068E-02 ppm1 1.787 ppm2 9.232 CV 1 ASSI { 292} (( segid " " and resid 1589 and name HB1 )) (( segid " " and resid 1589 and name HN )) 3.400 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 1.846 ppm2 9.439 CV 1 ASSI { 300} (( segid " " and resid 1586 and name HG1 )) (( segid " " and resid 1587 and name HN )) 4.700 2.800 1.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.15225E-02 ppm1 2.486 ppm2 7.675 CV 1 ASSI { 301} (( segid " " and resid 1586 and name HG2 )) (( segid " " and resid 1587 and name HN )) 4.300 2.300 1.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.15041E-02 ppm1 2.351 ppm2 7.679 CV 1 ASSI { 302} (( segid " " and resid 1586 and name HG1 )) (( segid " " and resid 1586 and name HN )) 4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 2.485 ppm2 6.626 CV 1 ASSI { 303} (( segid " " and resid 1586 and name HG2 )) (( segid " " and resid 1586 and name HN )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 2.351 ppm2 6.613 CV 1 ASSI { 305} (( segid " " and resid 1569 and name HG1 )) (( segid " " and resid 1569 and name HA )) 2.800 0.900 0.900 peak 305 spectrum 1 weight 0.11000E+01 volume 0.54522E-02 ppm1 2.528 ppm2 4.136 CV 1 ASSI { 309} (( segid " " and resid 1632 and name HG2 )) (( segid " " and resid 1632 and name HN )) 3.500 1.500 1.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.30073E-02 ppm1 2.523 ppm2 8.516 CV 1 OR { 309} (( segid " " and resid 1632 and name HG1 )) (( segid " " and resid 1632 and name HN )) ASSI { 317} (( segid " " and resid 1586 and name HG1 )) (( segid " " and resid 1586 and name HG2 )) 1.600 0.300 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.21854E-01 ppm1 2.491 ppm2 2.357 CV 1 OR { 317} (( segid " " and resid 1586 and name HG1 )) (( segid " " and resid 1586 and name HB2 )) ASSI { 322} (( segid " " and resid 1586 and name HG2 )) (( segid " " and resid 1586 and name HG1 )) 1.500 0.300 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.19212E-01 ppm1 2.349 ppm2 2.492 CV 1 ASSI { 323} (( segid " " and resid 1586 and name HG1 )) (( segid " " and resid 1586 and name HA )) 3.500 1.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.29595E-02 ppm1 2.487 ppm2 3.608 CV 1 ASSI { 324} (( segid " " and resid 1586 and name HG2 )) (( segid " " and resid 1586 and name HA )) 2.800 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.31430E-02 ppm1 2.347 ppm2 3.611 CV 1 ASSI { 326} (( segid " " and resid 1531 and name HB1 )) (( segid " " and resid 1531 and name HA )) 3.100 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.27083E-02 ppm1 4.051 ppm2 4.343 CV 1 ASSI { 327} (( segid " " and resid 1596 and name HB1 )) (( segid " " and resid 1596 and name HB2 )) 2.800 1.000 0.500 peak 327 spectrum 1 weight 0.11000E+01 volume 0.35799E-02 ppm1 4.371 ppm2 4.124 CV 1 ASSI { 329} (( segid " " and resid 1596 and name HB2 )) ( segid " " and resid 1572 and name HG2%) 3.300 1.500 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33256E-02 ppm1 4.129 ppm2 0.866 CV 1 ASSI { 330} (( segid " " and resid 1596 and name HB1 )) ( segid " " and resid 1572 and name HG2%) 3.600 1.700 1.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.28724E-02 ppm1 4.368 ppm2 0.868 CV 1 ASSI { 331} (( segid " " and resid 1515 and name HB2 )) (( segid " " and resid 1515 and name HB1 )) 2.600 0.800 0.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 2.560 ppm2 2.853 CV 1 ASSI { 335} (( segid " " and resid 1513 and name HB2 )) (( segid " " and resid 1513 and name HB1 )) 2.000 0.500 0.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.59313E-02 ppm1 3.320 ppm2 3.758 CV 1 ASSI { 338} (( segid " " and resid 1648 and name HB2 )) (( segid " " and resid 1649 and name HN )) 3.700 1.700 1.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.30149E-02 ppm1 1.948 ppm2 8.160 CV 1 ASSI { 343} (( segid " " and resid 1649 and name HB2 )) (( segid " " and resid 1649 and name HA )) 2.800 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.40555E-02 ppm1 1.951 ppm2 4.162 CV 1 ASSI { 345} (( segid " " and resid 1512 and name HB2 )) (( segid " " and resid 1512 and name HG2 )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11002E-01 ppm1 1.959 ppm2 2.222 CV 1 OR { 345} (( segid " " and resid 1512 and name HB2 )) (( segid " " and resid 1512 and name HG1 )) ASSI { 347} (( segid " " and resid 1596 and name HB2 )) (( segid " " and resid 1596 and name HA )) 3.200 1.300 1.300 peak 347 spectrum 1 weight 0.11000E+01 volume 0.15535E-02 ppm1 4.122 ppm2 4.806 CV 1 ASSI { 348} (( segid " " and resid 1596 and name HB1 )) (( segid " " and resid 1596 and name HA )) 3.400 1.400 1.400 peak 348 spectrum 1 weight 0.11000E+01 volume 0.12480E-02 ppm1 4.360 ppm2 4.797 CV 1 ASSI { 351} (( segid " " and resid 1510 and name HB1 )) (( segid " " and resid 1510 and name HA )) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.11000E+01 volume 0.18119E-02 ppm1 4.017 ppm2 4.782 CV 1 ASSI { 352} (( segid " " and resid 1510 and name HB2 )) (( segid " " and resid 1510 and name HA )) 3.200 1.300 1.300 peak 352 spectrum 1 weight 0.11000E+01 volume 0.17810E-02 ppm1 3.939 ppm2 4.780 CV 1 ASSI { 363} (( segid " " and resid 1584 and name HB )) (( segid " " and resid 1585 and name HN )) 4.000 2.000 2.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11602E-02 ppm1 1.895 ppm2 9.029 CV 1 ASSI { 365} (( segid " " and resid 1584 and name HB )) ( segid " " and resid 1584 and name HG1%) 2.100 0.500 0.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.18743E-01 ppm1 1.901 ppm2 0.816 CV 1 OR { 365} (( segid " " and resid 1584 and name HB )) ( segid " " and resid 1584 and name HG2%) ASSI { 370} ( segid " " and resid 1627 and name HG2%) ( segid " " and resid 1625 and name HB% ) 4.2000 1.700 1.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.36106E-02 ppm1 0.784 ppm2 2.055 CV 1 ASSI { 371} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1627 and name HB )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.34285E-02 ppm1 0.782 ppm2 1.932 CV 1 ASSI { 372} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1627 and name HG12)) 2.400 0.500 0.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.12924E-01 ppm1 0.785 ppm2 1.427 CV 1 OR { 372} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1627 and name HG11)) ASSI { 373} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1627 and name HA )) 3.800 1.800 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.78559E-02 ppm1 0.785 ppm2 4.201 CV 1 ASSI { 374} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1639 and name HB1 )) 3.600 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.53614E-02 ppm1 0.785 ppm2 3.721 CV 1 OR { 374} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1639 and name HB2 )) ASSI { 375} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1627 and name HN )) 4.400 2.400 1.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.19167E-02 ppm1 0.780 ppm2 9.278 CV 1 ASSI { 377} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1637 and name HB1 )) 3.100 1.200 1.200 peak 377 spectrum 1 weight 0.10000E+01 volume 0.13280E-02 ppm1 0.788 ppm2 2.944 CV 1 OR { 377} ( segid " " and resid 1627 and name HD1%) (( segid " " and resid 1637 and name HB2 )) ASSI { 381} ( segid " " and resid 1572 and name HD1%) (( segid " " and resid 1572 and name HG11)) 2.800 0.500 0.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12844E-01 ppm1 0.869 ppm2 1.540 CV 1 OR { 381} ( segid " " and resid 1572 and name HD1%) (( segid " " and resid 1572 and name HB )) ASSI { 384} ( segid " " and resid 1572 and name HD1%) (( segid " " and resid 1572 and name HG12)) 2.800 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.95102E-02 ppm1 0.870 ppm2 1.206 CV 1 ASSI { 385} ( segid " " and resid 1572 and name HD1%) (( segid " " and resid 1572 and name HA )) 3.300 1.500 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.38795E-02 ppm1 0.869 ppm2 3.841 CV 1 ASSI { 388} ( segid " " and resid 1572 and name HD1%) (( segid " " and resid 1572 and name HN )) 4.100 2.100 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22273E-02 ppm1 0.866 ppm2 7.608 CV 1 ASSI { 389} ( segid " " and resid 1572 and name HD1%) ( segid " " and resid 1567 and name HD1 ) 4.000 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.24732E-02 ppm1 0.867 ppm2 6.853 CV 1 OR { 389} ( segid " " and resid 1572 and name HD1%) ( segid " " and resid 1567 and name HD2 ) ASSI { 393} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1610 and name HG12)) 2.800 0.500 0.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.84187E-02 ppm1 0.210 ppm2 0.386 CV 1 ASSI { 394} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1610 and name HB )) 2.800 0.600 0.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.68628E-02 ppm1 0.211 ppm2 1.573 CV 1 ASSI { 395} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1590 and name HB1 )) 4.000 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.47287E-02 ppm1 0.209 ppm2 1.438 CV 1 OR { 395} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1590 and name HB2 )) ASSI { 396} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1610 and name HG11)) 2.400 0.500 0.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 0.210 ppm2 1.159 CV 1 ASSI { 398} ( segid " " and resid 1610 and name HD1%) ( segid " " and resid 1550 and name HE% ) 3.500 1.500 1.000 peak 398 spectrum 1 weight 0.11000E+01 volume 0.10601E-01 ppm1 0.210 ppm2 0.788 CV 1 ASSI { 397} ( segid " " and resid 1610 and name HD1%) ( segid " " and resid 1610 and name HG12) 3.300 0.800 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.39005E-02 ppm1 0.209 ppm2 1.020 CV 1 ASSI { 402} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1638 and name HB1 )) 4.500 2.500 1.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.13780E-02 ppm1 0.208 ppm2 2.857 CV 1 ASSI { 408} ( segid " " and resid 1610 and name HD1%) ( segid " " and resid 1592 and name HD% ) 4.000 1.100 1.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.17809E-02 ppm1 0.206 ppm2 6.891 CV 1 ASSI { 409} ( segid " " and resid 1610 and name HD1%) ( segid " " and resid 1638 and name HE1 ) 4.500 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.21025E-02 ppm1 0.208 ppm2 6.796 CV 1 OR { 409} ( segid " " and resid 1610 and name HD1%) ( segid " " and resid 1638 and name HE2 ) ASSI { 412} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1610 and name HA )) 3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.17959E-02 ppm1 0.209 ppm2 4.386 CV 1 ASSI { 413} ( segid " " and resid 1610 and name HD1%) (( segid " " and resid 1610 and name HN )) 2.400 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.31953E-02 ppm1 0.212 ppm2 9.390 CV 1 ASSI { 417} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1638 and name HD% ) 4.000 2.200 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.50532E-02 ppm1 0.776 ppm2 7.107 CV 1 ASSI { 418} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1638 and name HZ )) 4.000 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.33649E-02 ppm1 0.777 ppm2 6.947 CV 1 ASSI { 419} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1638 and name HE1 ) 3.800 1.200 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.54942E-02 ppm1 0.776 ppm2 6.799 CV 1 OR { 419} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1638 and name HE2 ) ASSI { 420} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1550 and name HA )) 4.000 2.000 2.000 peak 420 spectrum 1 weight 0.11000E+01 volume 0.18537E-02 ppm1 0.777 ppm2 5.782 CV 1 ASSI { 421} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1610 and name HA )) 4.600 1.000 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 0.776 ppm2 4.394 CV 1 ASSI { 423} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1638 and name HB1 )) 4.400 1.400 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.19612E-02 ppm1 0.779 ppm2 2.870 CV 1 ASSI { 424} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1638 and name HB2 )) 4.000 1.600 1.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.23136E-02 ppm1 0.778 ppm2 2.681 CV 1 ASSI { 425} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1550 and name HG1 )) 2.900 1.000 1.000 peak 425 spectrum 1 weight 0.11000E+01 volume 0.52018E-02 ppm1 0.778 ppm2 2.250 CV 1 ASSI { 426} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1550 and name HG2 )) 3.800 1.000 1.000 peak 426 spectrum 1 weight 0.11000E+01 volume 0.47658E-02 ppm1 0.776 ppm2 2.134 CV 1 ASSI { 427} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1550 and name HB1 )) 2.400 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.93406E-02 ppm1 0.777 ppm2 1.879 CV 1 ASSI { 428} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1610 and name HB )) 4.000 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.44010E-02 ppm1 0.776 ppm2 1.629 CV 1 ASSI { 430} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1540 and name HB% ) 3.800 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12867E-01 ppm1 0.777 ppm2 1.286 CV 1 OR { 430} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1565 and name HB% ) ASSI { 433} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1565 and name HA )) 4.800 0.800 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11706E-02 ppm1 0.771 ppm2 5.859 CV 1 ASSI { 439} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1610 and name HG12)) 3.800 0.700 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.47227E-02 ppm1 0.777 ppm2 0.413 CV 1 ASSI { 441} (( segid " " and resid 1627 and name HB )) (( segid " " and resid 1628 and name HN )) 4.000 1.500 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.24644E-02 ppm1 1.929 ppm2 7.535 CV 1 ASSI { 442} (( segid " " and resid 1627 and name HB )) (( segid " " and resid 1627 and name HA )) 2.800 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.23581E-02 ppm1 1.933 ppm2 4.194 CV 1 ASSI { 444} (( segid " " and resid 1627 and name HB )) (( segid " " and resid 1627 and name HG11)) 2.400 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.43088E-02 ppm1 1.927 ppm2 1.429 CV 1 OR { 444} (( segid " " and resid 1627 and name HB )) (( segid " " and resid 1627 and name HG12)) ASSI { 445} (( segid " " and resid 1625 and name HG2 )) (( segid " " and resid 1625 and name HG1 )) 1.500 0.300 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.25719E-01 ppm1 2.531 ppm2 2.638 CV 1 ASSI { 451} (( segid " " and resid 1625 and name HG1 )) (( segid " " and resid 1625 and name HB1 )) 2.600 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.63385E-02 ppm1 2.635 ppm2 2.049 CV 1 OR { 451} (( segid " " and resid 1625 and name HG1 )) (( segid " " and resid 1625 and name HB2 )) ASSI { 456} (( segid " " and resid 1599 and name HB1 )) (( segid " " and resid 1599 and name HA )) 2.400 0.600 1.100 peak 456 spectrum 1 weight 0.11000E+01 volume 0.64692E-02 ppm1 2.386 ppm2 4.461 CV 1 ASSI { 459} (( segid " " and resid 1563 and name HB )) (( segid " " and resid 1563 and name HN )) 3.000 1.000 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19991E-02 ppm1 2.520 ppm2 8.218 CV 1 ASSI { 460} (( segid " " and resid 1648 and name HB1 )) (( segid " " and resid 1649 and name HN )) 3.500 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.37139E-02 ppm1 2.319 ppm2 8.164 CV 1 ASSI { 461} (( segid " " and resid 1648 and name HB2 )) (( segid " " and resid 1648 and name HD1 )) 3.700 1.700 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.36747E-02 ppm1 1.951 ppm2 3.375 CV 1 ASSI { 463} (( segid " " and resid 1643 and name HB2 )) (( segid " " and resid 1643 and name HA )) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.30077E-02 ppm1 2.047 ppm2 4.806 CV 1 ASSI { 464} (( segid " " and resid 1599 and name HB2 )) (( segid " " and resid 1599 and name HA )) 2.900 1.100 1.100 peak 464 spectrum 1 weight 0.11000E+01 volume 0.51106E-02 ppm1 2.057 ppm2 4.462 CV 1 ASSI { 466} (( segid " " and resid 1623 and name HB2 )) ( segid " " and resid 1621 and name HG2%) 4.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.26980E-02 ppm1 1.645 ppm2 1.314 CV 1 ASSI { 467} (( segid " " and resid 1597 and name HB2 )) (( segid " " and resid 1597 and name HB1 )) 2.500 0.500 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.86221E-02 ppm1 1.885 ppm2 2.435 CV 1 ASSI { 469} (( segid " " and resid 1625 and name HB2 )) (( segid " " and resid 1625 and name HG2 )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.36850E-02 ppm1 2.038 ppm2 2.534 CV 1 OR { 469} (( segid " " and resid 1625 and name HB1 )) (( segid " " and resid 1625 and name HG2 )) ASSI { 474} (( segid " " and resid 1613 and name HB )) ( segid " " and resid 1613 and name HG2%) 2.400 0.700 0.700 peak 474 spectrum 1 weight 0.10000E+01 volume 0.61924E-02 ppm1 1.413 ppm2 0.911 CV 1 ASSI { 477} (( segid " " and resid 1647 and name HG2 )) (( segid " " and resid 1647 and name HB1 )) 2.500 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.73198E-02 ppm1 1.834 ppm2 1.641 CV 1 OR { 477} (( segid " " and resid 1647 and name HG2 )) (( segid " " and resid 1647 and name HB2 )) ASSI { 484} (( segid " " and resid 1593 and name HB1 )) (( segid " " and resid 1593 and name HB2 )) 1.800 0.400 0.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.78915E-02 ppm1 1.984 ppm2 1.786 CV 1 OR { 484} (( segid " " and resid 1593 and name HB1 )) (( segid " " and resid 1593 and name HD2 )) OR { 484} (( segid " " and resid 1593 and name HB1 )) (( segid " " and resid 1593 and name HD1 )) ASSI { 485} (( segid " " and resid 1593 and name HB1 )) (( segid " " and resid 1593 and name HG2 )) 2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.32399E-02 ppm1 1.982 ppm2 1.475 CV 1 ASSI { 486} (( segid " " and resid 1647 and name HG1 )) (( segid " " and resid 1647 and name HB2 )) 2.700 0.900 0.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.57532E-02 ppm1 2.070 ppm2 1.615 CV 1 OR { 486} (( segid " " and resid 1647 and name HG1 )) (( segid " " and resid 1647 and name HB1 )) ASSI { 494} ( segid " " and resid 1563 and name HG1%) (( segid " " and resid 1563 and name HB )) 2.800 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.52819E-02 ppm1 0.934 ppm2 2.534 CV 1 ASSI { 496} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1583 and name HB1 )) 4.000 1.100 1.100 peak 496 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 0.184 ppm2 3.127 CV 1 ASSI { 497} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1527 and name HB1 )) 4.200 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.25865E-02 ppm1 0.186 ppm2 3.067 CV 1 ASSI { 499} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1527 and name HB2 )) 3.500 1.000 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.32961E-02 ppm1 0.184 ppm2 2.702 CV 1 ASSI { 500} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1612 and name HB2 )) 4.500 0.900 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 0.184 ppm2 2.495 CV 1 ASSI { 501} ( segid " " and resid 1574 and name HG1%) (( segid " " and resid 1606 and name HB1 )) 3.300 1.400 1.400 peak 501 spectrum 1 weight 0.11000E+01 volume 0.18765E-02 ppm1 0.102 ppm2 3.184 CV 1 ASSI { 506} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1518 and name HB )) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.69711E-02 ppm1 1.323 ppm2 2.298 CV 1 ASSI { 507} ( segid " " and resid 1574 and name HG1%) (( segid " " and resid 1574 and name HB )) 2.300 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.40302E-02 ppm1 0.106 ppm2 2.279 CV 1 ASSI { 508} (( segid " " and resid 1596 and name HN )) ( segid " " and resid 1572 and name HG2%) 4.500 2.600 1.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.10032E-02 ppm1 8.827 ppm2 0.875 CV 1 ASSI { 515} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1588 and name HB1 )) 2.900 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.38784E-02 ppm1 0.185 ppm2 1.782 CV 1 ASSI { 518} ( segid " " and resid 1626 and name HD1%) ( segid " " and resid 1636 and name HB1 ) 3.800 0.700 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.65005E-02 ppm1 0.179 ppm2 1.208 CV 1 ASSI { 519} ( segid " " and resid 1626 and name HD1%) (( segid " " and resid 1626 and name HG )) 2.800 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.11993E-01 ppm1 0.176 ppm2 1.079 CV 1 OR { 519} ( segid " " and resid 1626 and name HD1%) (( segid " " and resid 1626 and name HB2 )) ASSI { 520} ( segid " " and resid 1626 and name HD1%) ( segid " " and resid 1636 and name HD2%) 4.000 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.73911E-02 ppm1 0.178 ppm2 0.913 CV 1 ASSI { 522} ( segid " " and resid 1588 and name HD1%) ( segid " " and resid 1588 and name HD2%) 2.800 1.000 0.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.15155E-01 ppm1 0.185 ppm2 0.487 CV 1 ASSI { 524} ( segid " " and resid 1574 and name HG1%) (( segid " " and resid 1572 and name HB )) 4.200 1.500 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 0.102 ppm2 1.556 CV 1 ASSI { 526} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1636 and name HD2%) 4.200 0.800 1.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.50447E-02 ppm1 0.104 ppm2 0.970 CV 1 ASSI { 528} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1636 and name HD1%) 3.800 0.800 1.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.60378E-02 ppm1 0.110 ppm2 0.753 CV 1 ASSI { 531} ( segid " " and resid 1529 and name HD2%) (( segid " " and resid 1644 and name HB1 )) 3.300 1.000 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 0.002 ppm2 1.528 CV 1 ASSI { 533} ( segid " " and resid 1529 and name HD2%) (( segid " " and resid 1529 and name HB2 )) 2.900 1.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.63171E-02 ppm1 0.002 ppm2 1.315 CV 1 ASSI { 534} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1642 and name HG2%) 4.500 1.200 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.46781E-02 ppm1 0.001 ppm2 1.146 CV 1 ASSI { 535} ( segid " " and resid 1529 and name HD2%) (( segid " " and resid 1529 and name HG )) 2.800 0.5800 0.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.11965E-01 ppm1 0.001 ppm2 0.992 CV 1 ASSI { 536} ( segid " " and resid 1532 and name HD1%) ( segid " " and resid 1644 and name HD1%) 3.300 1.200 1.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.11803E-01 ppm1 0.002 ppm2 0.799 CV 1 ASSI { 538} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1581 and name HD1%) 3.600 1.200 2.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.31541E-02 ppm1 0.001 ppm2 0.613 CV 1 ASSI { 539} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1588 and name HD1%) 4.000 1.000 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.64047E-02 ppm1 0.002 ppm2 0.491 CV 1 ASSI { 542} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1604 and name HG )) 2.800 0.800 0.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.14232E-01 ppm1 0.894 ppm2 1.571 CV 1 ASSI { 543} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1604 and name HB2 )) 2.800 0.800 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.87792E-02 ppm1 0.893 ppm2 1.484 CV 1 ASSI { 544} ( segid " " and resid 1563 and name HG1%) (( segid " " and resid 1556 and name HB2 )) 4.000 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 0.934 ppm2 2.157 CV 1 ASSI { 547} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1604 and name HA )) 3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.61319E-02 ppm1 0.894 ppm2 4.731 CV 1 ASSI { 549} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1633 and name HB )) 4.000 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.26203E-02 ppm1 0.896 ppm2 4.371 CV 1 ASSI { 552} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1588 and name HA )) 3.400 1.400 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.59491E-02 ppm1 0.183 ppm2 5.435 CV 1 ASSI { 554} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1583 and name HA )) 3.500 1.500 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 0.183 ppm2 4.904 CV 1 ASSI { 555} ( segid " " and resid 1626 and name HD1%) (( segid " " and resid 1636 and name HA )) 3.500 0.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 0.170 ppm2 4.679 CV 1 ASSI { 557} ( segid " " and resid 1626 and name HD1%) (( segid " " and resid 1626 and name HA )) 2.800 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.58683E-02 ppm1 0.177 ppm2 4.117 CV 1 ASSI { 558} ( segid " " and resid 1539 and name HG2%) (( segid " " and resid 1539 and name HA )) 2.800 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.61864E-02 ppm1 1.142 ppm2 5.486 CV 1 ASSI { 560} ( segid " " and resid 1574 and name HG1%) (( segid " " and resid 1574 and name HA )) 2.900 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 0.105 ppm2 4.729 CV 1 ASSI { 561} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1518 and name HA )) 2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.68678E-02 ppm1 1.322 ppm2 4.483 CV 1 ASSI { 562} ( segid " " and resid 1539 and name HG2%) (( segid " " and resid 1539 and name HB )) 2.800 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.97495E-02 ppm1 1.140 ppm2 3.927 CV 1 ASSI { 564} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1582 and name HA )) 3.500 1.500 2.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.27626E-02 ppm1 1.325 ppm2 5.096 CV 1 ASSI { 565} ( segid " " and resid 1529 and name HD2%) (( segid " " and resid 1529 and name HA )) 2.800 0.600 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.83742E-02 ppm1 0.002 ppm2 4.423 CV 1 ASSI { 566} ( segid " " and resid 1529 and name HD2%) (( segid " " and resid 1644 and name HA )) 4.200 2.200 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.19331E-02 ppm1 -0.001 ppm2 4.238 CV 1 ASSI { 567} ( segid " " and resid 1563 and name HG1%) (( segid " " and resid 1563 and name HA )) 2.800 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.77334E-02 ppm1 0.933 ppm2 3.920 CV 1 ASSI { 570} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1605 and name HN )) 4.000 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.35632E-02 ppm1 0.893 ppm2 8.394 CV 1 ASSI { 572} ( segid " " and resid 1604 and name HD1%) (( segid " " and resid 1604 and name HN )) 3.500 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.33921E-02 ppm1 0.893 ppm2 7.738 CV 1 ASSI { 575} ( segid " " and resid 1626 and name HD1%) (( segid " " and resid 1627 and name HN )) 3.300 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.39500E-02 ppm1 0.177 ppm2 9.263 CV 1 ASSI { 577} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1588 and name HN )) 3.800 1.200 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 0.185 ppm2 8.278 CV 1 ASSI { 580} ( segid " " and resid 1626 and name HD1%) ( segid " " and resid 1638 and name HD% ) 4.000 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.31954E-02 ppm1 0.174 ppm2 7.096 CV 1 ASSI { 583} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1583 and name HN )) 3.300 1.400 1.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.33665E-02 ppm1 1.324 ppm2 8.994 CV 1 ASSI { 584} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1518 and name HN )) 3.600 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.20018E-02 ppm1 1.325 ppm2 8.744 CV 1 ASSI { 585} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1584 and name HN )) 4.200 2.200 1.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 0.185 ppm2 8.750 CV 1 ASSI { 586} ( segid " " and resid 1539 and name HG2%) (( segid " " and resid 1539 and name HN )) 3.300 1.100 1.100 peak 586 spectrum 1 weight 0.10000E+01 volume 0.29865E-02 ppm1 1.138 ppm2 8.672 CV 1 ASSI { 587} ( segid " " and resid 1518 and name HG2%) (( segid " " and resid 1519 and name HN )) 3.200 1.300 1.300 peak 587 spectrum 1 weight 0.10000E+01 volume 0.77854E-02 ppm1 1.326 ppm2 7.910 CV 1 ASSI { 589} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1606 and name HD% ) 3.800 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.18634E-02 ppm1 0.112 ppm2 7.177 CV 1 ASSI { 590} ( segid " " and resid 1539 and name HG2%) ( segid " " and resid 1549 and name HD1 ) 3.300 1.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.56438E-02 ppm1 1.140 ppm2 7.122 CV 1 OR { 590} ( segid " " and resid 1539 and name HG2%) ( segid " " and resid 1549 and name HD2 ) ASSI { 591} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1567 and name HD2 ) 4.000 1.500 1.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 0.107 ppm2 6.855 CV 1 OR { 591} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1567 and name HD1 ) ASSI { 2624} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1567 and name HZ ) 3.800 1.000 1.500 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 0.107 ppm2 6.808 CV 1 ASSI { 593} ( segid " " and resid 1574 and name HG1%) ( segid " " and resid 1567 and name HE% ) 3.800 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.30752E-02 ppm1 0.108 ppm2 6.503 CV 1 ASSI { 597} ( segid " " and resid 1529 and name HD1%) ( segid " " and resid 1612 and name HZ ) 3.000 1.100 1.100 peak 597 spectrum 1 weight 0.10000E+01 volume 0.22407E-02 ppm1 0.004 ppm2 6.684 CV 1 ASSI { 599} ( segid " " and resid 1563 and name HG1%) (( segid " " and resid 1573 and name HG )) 3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 0.930 ppm2 6.150 CV 1 ASSI { 601} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1529 and name HD1%) 2.800 1.000 0.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17099E-01 ppm1 0.001 ppm2 -0.301 CV 1 ASSI { 604} ( segid " " and resid 1574 and name HG2%) ( segid " " and resid 1574 and name HG1%) 2.800 0.600 0.600 peak 604 spectrum 1 weight 0.11000E+01 volume 0.11727E-01 ppm1 0.448 ppm2 0.109 CV 1 ASSI { 605} ( segid " " and resid 1574 and name HG2%) ( segid " " and resid 1636 and name HD1%) 3.300 1.200 1.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.11263E-01 ppm1 0.448 ppm2 0.754 CV 1 ASSI { 606} ( segid " " and resid 1547 and name HG1%) ( segid " " and resid 1547 and name HG2%) 2.800 0.600 0.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.21356E-01 ppm1 0.508 ppm2 0.688 CV 1 ASSI { 607} ( segid " " and resid 1574 and name HG2%) ( segid " " and resid 1565 and name HB% ) 3.500 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.14203E-01 ppm1 0.447 ppm2 1.234 CV 1 ASSI { 609} ( segid " " and resid 1547 and name HG1%) ( segid " " and resid 1539 and name HG2%) 3.800 1.100 1.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.92042E-02 ppm1 0.508 ppm2 1.141 CV 1 ASSI { 610} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1573 and name HA )) 4.700 1.700 1.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 0.455 ppm2 4.448 CV 1 ASSI { 613} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1606 and name HB1 )) 4.000 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.24127E-02 ppm1 0.446 ppm2 3.182 CV 1 ASSI { 615} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1574 and name HB )) 2.600 0.600 0.600 peak 615 spectrum 1 weight 0.11000E+01 volume 0.51380E-02 ppm1 0.446 ppm2 2.276 CV 1 ASSI { 616} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1546 and name HA1 )) 3.800 1.800 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15173E-02 ppm1 0.508 ppm2 4.320 CV 1 ASSI { 617} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1568 and name HA2 )) 3.800 1.000 2.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.25070E-02 ppm1 0.514 ppm2 4.131 CV 1 ASSI { 618} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1568 and name HA1 )) 4.200 1.300 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 0.509 ppm2 4.198 CV 1 ASSI { 619} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1539 and name HB )) 3.500 1.600 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.37784E-02 ppm1 0.506 ppm2 3.924 CV 1 ASSI { 620} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1547 and name HB )) 2.800 0.800 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.90065E-02 ppm1 0.509 ppm2 1.823 CV 1 ASSI { 625} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1643 and name HD1 )) 3.100 1.200 1.200 peak 625 spectrum 1 weight 0.10000E+01 volume 0.31433E-02 ppm1 1.523 ppm2 3.883 CV 1 OR { 625} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1643 and name HD2 )) ASSI { 626} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1622 and name HB1 )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.23721E-02 ppm1 1.520 ppm2 3.300 CV 1 ASSI { 627} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1622 and name HB2 )) 4.000 2.200 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 1.522 ppm2 3.186 CV 1 ASSI { 630} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1643 and name HG2 )) 4.200 1.400 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.31814E-02 ppm1 1.524 ppm2 2.044 CV 1 OR { 630} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1643 and name HB2 )) ASSI { 634} ( segid " " and resid 1645 and name HB% ) (( segid " " and resid 1612 and name HB2 )) 3.500 1.000 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.28467E-02 ppm1 1.190 ppm2 2.469 CV 1 ASSI { 635} ( segid " " and resid 1645 and name HB% ) ( segid " " and resid 1588 and name HD1%) 3.800 1.500 1.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.46977E-02 ppm1 1.189 ppm2 0.488 CV 1 ASSI { 636} ( segid " " and resid 1645 and name HB% ) ( segid " " and resid 1588 and name HD2%) 4.500 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.26951E-02 ppm1 1.189 ppm2 0.182 CV 1 ASSI { 637} ( segid " " and resid 1541 and name HB% ) ( segid " " and resid 1547 and name HG2%) 3.800 1.800 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.45496E-02 ppm1 1.477 ppm2 0.686 CV 1 ASSI { 645} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1622 and name HD22)) 4.000 2.000 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14990E-02 ppm1 1.518 ppm2 8.009 CV 1 ASSI { 647} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1642 and name HA )) 4.500 1.300 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.19492E-02 ppm1 1.525 ppm2 5.481 CV 1 ASSI { 650} ( segid " " and resid 1541 and name HB% ) (( segid " " and resid 1541 and name HA )) 2.300 0.600 0.600 peak 650 spectrum 1 weight 0.11000E+01 volume 0.91205E-02 ppm1 1.475 ppm2 4.593 CV 1 ASSI { 652} ( segid " " and resid 1547 and name HG1%) ( segid " " and resid 1549 and name HD1 ) 4.000 1.800 1.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.17939E-02 ppm1 0.512 ppm2 7.129 CV 1 OR { 652} ( segid " " and resid 1547 and name HG1%) ( segid " " and resid 1549 and name HD2 ) ASSI { 654} ( segid " " and resid 1645 and name HB% ) (( segid " " and resid 1645 and name HN )) 2.800 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.54818E-02 ppm1 1.189 ppm2 7.177 CV 1 ASSI { 657} ( segid " " and resid 1645 and name HB% ) ( segid " " and resid 1612 and name HD1 ) 4.200 1.000 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 1.184 ppm2 6.694 CV 1 OR { 657} ( segid " " and resid 1645 and name HB% ) ( segid " " and resid 1612 and name HD2 ) ASSI { 659} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1547 and name HA )) 3.600 1.600 1.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.18706E-02 ppm1 0.508 ppm2 4.965 CV 1 ASSI { 660} ( segid " " and resid 1645 and name HB% ) (( segid " " and resid 1645 and name HA )) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.79774E-02 ppm1 1.190 ppm2 4.577 CV 1 ASSI { 661} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1566 and name HN )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.18899E-02 ppm1 0.448 ppm2 9.200 CV 1 ASSI { 662} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1574 and name HN )) 3.000 0.900 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.40320E-02 ppm1 0.448 ppm2 8.991 CV 1 ASSI { 663} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1567 and name HN )) 4.000 1.000 1.500 peak 663 spectrum 1 weight 0.10000E+01 volume 0.17623E-02 ppm1 0.448 ppm2 8.560 CV 1 ASSI { 664} ( segid " " and resid 1541 and name HB% ) (( segid " " and resid 1541 and name HN )) 2.800 0.600 0.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.11326E-01 ppm1 1.473 ppm2 8.659 CV 1 ASSI { 665} ( segid " " and resid 1618 and name HB% ) (( segid " " and resid 1618 and name HN )) 2.800 1.000 0.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.17303E-01 ppm1 1.523 ppm2 8.291 CV 1 ASSI { 666} ( segid " " and resid 1645 and name HB% ) (( segid " " and resid 1614 and name HN )) 3.500 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.22890E-02 ppm1 1.189 ppm2 9.211 CV 1 ASSI { 669} ( segid " " and resid 1547 and name HG1%) (( segid " " and resid 1547 and name HN )) 2.800 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.73198E-02 ppm1 0.509 ppm2 8.453 CV 1 ASSI { 671} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1610 and name HG12)) 2.800 0.600 0.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.49816E-02 ppm1 0.169 ppm2 0.376 CV 1 ASSI { 672} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1610 and name HB )) 2.800 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.63281E-02 ppm1 0.172 ppm2 1.577 CV 1 ASSI { 673} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1590 and name HB2 )) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 0.167 ppm2 1.437 CV 1 OR { 673} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1590 and name HB1 )) ASSI { 674} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1610 and name HG11)) 2.600 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.50479E-02 ppm1 0.173 ppm2 1.155 CV 1 ASSI { 676} ( segid " " and resid 1610 and name HG2%) ( segid " " and resid 1550 and name HE% ) 4.500 0.800 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.71234E-02 ppm1 0.170 ppm2 0.785 CV 1 ASSI { 677} ( segid " " and resid 1610 and name HG2%) ( segid " " and resid 1552 and name HD1%) 4.000 1.500 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.65308E-02 ppm1 0.172 ppm2 0.795 CV 1 ASSI { 678} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1638 and name HB1 )) 3.500 1.500 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 0.160 ppm2 2.860 CV 1 ASSI { 679} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1610 and name HA )) 2.800 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.36035E-02 ppm1 0.172 ppm2 4.385 CV 1 ASSI { 680} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1640 and name HB1 )) 3.500 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 0.180 ppm2 3.042 CV 1 ASSI { 681} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1638 and name HB2 )) 3.600 1.600 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.18188E-02 ppm1 0.175 ppm2 2.682 CV 1 ASSI { 682} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1564 and name HA1 )) 3.300 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.63203E-02 ppm1 0.663 ppm2 4.282 CV 1 ASSI { 683} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1554 and name HA1 )) 3.500 1.000 1.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.33388E-02 ppm1 0.659 ppm2 4.099 CV 1 ASSI { 684} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1562 and name HA1 )) 3.500 1.000 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.26965E-02 ppm1 0.663 ppm2 3.912 CV 1 ASSI { 685} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1555 and name HA )) 3.000 1.200 0.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50497E-02 ppm1 0.663 ppm2 3.815 CV 1 ASSI { 686} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1554 and name HA1 )) 3.800 1.100 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.51704E-02 ppm1 0.662 ppm2 3.727 CV 1 ASSI { 688} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1577 and name HA )) 2.800 0.500 0.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.89933E-02 ppm1 0.663 ppm2 2.567 CV 1 ASSI { 691} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1555 and name HG2 )) 4.200 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.28647E-02 ppm1 0.663 ppm2 1.851 CV 1 ASSI { 692} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1555 and name HB2 )) 3.300 1.100 1.100 peak 692 spectrum 1 weight 0.10000E+01 volume 0.15830E-02 ppm1 0.661 ppm2 1.601 CV 1 OR { 692} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1555 and name HB1 )) ASSI { 695} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1611 and name HN )) 3.100 1.200 1.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.27828E-02 ppm1 0.175 ppm2 8.309 CV 1 ASSI { 697} ( segid " " and resid 1610 and name HG2%) (( segid " " and resid 1612 and name HZ )) 3.800 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.33946E-02 ppm1 0.173 ppm2 6.688 CV 1 ASSI { 696} ( segid " " and resid 1610 and name HG2%) ( segid " " and resid 1612 and name HD% ) 4.000 1.000 1.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.345326E-02 ppm1 0.173 ppm2 6.812 CV 1 ASSI { 698} ( segid " " and resid 1610 and name HG2%) ( segid " " and resid 1612 and name HE% ) 4.000 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.26446E-02 ppm1 0.173 ppm2 6.374 CV 1 ASSI { 699} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1563 and name HN )) 4.600 1.000 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 0.657 ppm2 8.219 CV 1 ASSI { 700} ( segid " " and resid 1577 and name HB% ) ( segid " " and resid 1592 and name HE% ) 4.000 1.700 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 0.662 ppm2 7.129 CV 1 ASSI { 701} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1564 and name HN )) 3.900 1.000 1.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.29909E-02 ppm1 0.661 ppm2 8.542 CV 1 ASSI { 702} ( segid " " and resid 1577 and name HB% ) (( segid " " and resid 1577 and name HN )) 2.800 0.500 0.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.97232E-02 ppm1 0.663 ppm2 7.984 CV 1 ASSI { 706} ( segid " " and resid 1536 and name HB% ) (( segid " " and resid 1536 and name HA )) 2.800 0.600 0.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.19528E-01 ppm1 1.363 ppm2 4.047 CV 1 ASSI { 707} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1627 and name HG12)) 2.800 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10739E-01 ppm1 0.914 ppm2 1.427 CV 1 OR { 707} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1627 and name HG11)) ASSI { 708} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1627 and name HB )) 2.800 0.600 0.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.99779E-02 ppm1 0.915 ppm2 1.925 CV 1 ASSI { 710} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1627 and name HA )) 2.800 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.87411E-02 ppm1 0.915 ppm2 4.206 CV 1 ASSI { 712} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1639 and name HB1 )) 3.000 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.36109E-02 ppm1 0.914 ppm2 3.766 CV 1 OR { 712} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1639 and name HB2 )) ASSI { 713} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1627 and name HN )) 3.400 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.22623E-02 ppm1 0.914 ppm2 9.267 CV 1 ASSI { 714} ( segid " " and resid 1627 and name HG2%) (( segid " " and resid 1628 and name HN )) 4.200 2.200 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 0.917 ppm2 7.540 CV 1 ASSI { 715} ( segid " " and resid 1552 and name HG2%) ( segid " " and resid 1612 and name HE% ) 4.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 0.800 ppm2 6.379 CV 1 ASSI { 716} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1529 and name HD1%)) 4.000 1.000 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.29563E-02 ppm1 0.800 ppm2 9.699 CV 1 ASSI { 718} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1553 and name HN )) 3.800 1.800 1.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 0.794 ppm2 8.219 CV 1 ASSI { 719} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1612 and name HZ )) 2.800 0.700 1.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.30101E-02 ppm1 0.798 ppm2 6.683 CV 1 ASSI { 721} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1552 and name HA )) 2.800 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.31328E-02 ppm1 0.799 ppm2 4.174 CV 1 ASSI { 723} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1572 and name HA )) 2.800 0.700 0.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.52616E-02 ppm1 0.868 ppm2 3.846 CV 1 ASSI { 724} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1552 and name HG12)) 3.000 1.200 0.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.42265E-02 ppm1 0.799 ppm2 2.089 CV 1 ASSI { 725} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1552 and name HG11)) 3.500 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.31910E-02 ppm1 0.796 ppm2 1.845 CV 1 ASSI { 726} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1532 and name HB1 )) 3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 0.798 ppm2 1.716 CV 1 ASSI { 727} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1532 and name HB2 )) 3.800 1.400 1.400 peak 727 spectrum 1 weight 0.10000E+01 volume 0.29803E-02 ppm1 0.796 ppm2 1.660 CV 1 ASSI { 729} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1529 and name HB1 )) 3.900 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.32956E-02 ppm1 0.794 ppm2 1.408 CV 1 ASSI { 730} ( segid " " and resid 1552 and name HG2%) (( segid " " and resid 1529 and name HB2 )) 3.500 1.200 1.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.57169E-02 ppm1 0.799 ppm2 1.307 CV 1 ASSI { 731} ( segid " " and resid 1552 and name HG2%) ( segid " " and resid 1590 and name HD1%) 3.300 1.000 1.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.70455E-02 ppm1 0.796 ppm2 1.136 CV 1 ASSI { 733} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1574 and name HG1%) 4.500 1.400 1.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.27916E-02 ppm1 0.868 ppm2 0.113 CV 1 ASSI { 734} ( segid " " and resid 1552 and name HG2%) ( segid " " and resid 1532 and name HD1%) 3.500 1.000 1.500 peak 734 spectrum 1 weight 0.10000E+01 volume 0.48922E-02 ppm1 0.797 ppm2 0.051 CV 1 ASSI { 735} ( segid " " and resid 1627 and name HG2%) ( segid " " and resid 1627 and name HD1%) 2.800 0.500 0.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.16709E-01 ppm1 0.914 ppm2 0.794 CV 1 ASSI { 736} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1572 and name HG12)) 2.800 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.39842E-02 ppm1 0.866 ppm2 1.205 CV 1 ASSI { 737} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1572 and name HB )) 2.800 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.80269E-02 ppm1 0.867 ppm2 1.534 CV 1 OR { 737} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1572 and name HG11)) ASSI { 738} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1596 and name HB1 )) 3.300 1.100 1.100 peak 738 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 0.866 ppm2 4.127 CV 1 ASSI { 739} ( segid " " and resid 1572 and name HG2%) (( segid " " and resid 1572 and name HN )) 3.900 1.900 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.24876E-02 ppm1 0.866 ppm2 7.608 CV 1 ASSI { 740} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1606 and name HD1 ) 4.500 1.500 1.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.19955E-02 ppm1 0.867 ppm2 7.176 CV 1 OR { 740} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1606 and name HD2 ) ASSI { 741} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1567 and name HD1 ) 4.000 1.300 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.42176E-02 ppm1 0.867 ppm2 6.844 CV 1 OR { 741} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1567 and name HD2 ) ASSI { 2623} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1606 and name HE1 ) 4.000 1.200 2.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.19955E-02 ppm1 0.867 ppm2 7.176 CV 1 OR { 2623} ( segid " " and resid 1572 and name HG2%) ( segid " " and resid 1606 and name HE2 ) ASSI { 743} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1612 and name HB1 )) 3.800 1.000 1.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.18278E-02 ppm1 1.130 ppm2 2.870 CV 1 ASSI { 744} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1612 and name HB2 )) 4.000 2.000 2.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.26549E-02 ppm1 1.130 ppm2 2.469 CV 1 ASSI { 745} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1640 and name HD1 )) 4.000 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18569E-02 ppm1 1.126 ppm2 6.966 CV 1 ASSI { 746} ( segid " " and resid 1642 and name HG2%) ( segid " " and resid 1612 and name HD1 ) 3.300 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.49831E-02 ppm1 1.132 ppm2 6.684 CV 1 OR { 746} ( segid " " and resid 1642 and name HG2%) ( segid " " and resid 1612 and name HD2 ) ASSI { 747} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1642 and name HA )) 2.400 0.700 0.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.41538E-02 ppm1 1.131 ppm2 5.483 CV 1 ASSI { 748} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1642 and name HB )) 2.800 0.600 0.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.54810E-02 ppm1 1.132 ppm2 4.393 CV 1 ASSI { 750} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1642 and name HN )) 3.500 0.800 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.45535E-02 ppm1 1.131 ppm2 9.061 CV 1 ASSI { 751} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1613 and name HN )) 4.200 1.600 1.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.15317E-02 ppm1 1.128 ppm2 8.411 CV 1 ASSI { 753} ( segid " " and resid 1609 and name HG1%) (( segid " " and resid 1590 and name HN )) 4.500 1.900 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.23994E-02 ppm1 0.692 ppm2 9.047 CV 1 ASSI { 756} ( segid " " and resid 1642 and name HG2%) (( segid " " and resid 1644 and name HN )) 3.300 1.500 1.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.29118E-02 ppm1 1.134 ppm2 8.554 CV 1 ASSI { 757} ( segid " " and resid 1613 and name HG1%) (( segid " " and resid 1613 and name HN )) 3.300 1.500 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.53012E-02 ppm1 0.691 ppm2 8.417 CV 1 ASSI { 758} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1587 and name HN )) 4.000 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 0.801 ppm2 7.687 CV 1 OR { 758} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1587 and name HN )) ASSI { 761} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1589 and name HE22)) 4.000 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 0.803 ppm2 7.061 CV 1 OR { 761} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1589 and name HE22)) ASSI { 764} ( segid " " and resid 1613 and name HG1%) (( segid " " and resid 1613 and name HA )) 2.600 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.60977E-02 ppm1 0.690 ppm2 4.418 CV 1 ASSI { 765} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1584 and name HA )) 2.800 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.96519E-02 ppm1 0.803 ppm2 4.297 CV 1 OR { 765} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1584 and name HA )) ASSI { 763} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1589 and name HE21)) 4.500 1.900 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 0.805 ppm2 6.730 CV 1 ASSI { 769} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1585 and name HB2 )) 3.300 1.100 1.100 peak 769 spectrum 1 weight 0.10000E+01 volume 0.39689E-02 ppm1 0.803 ppm2 2.550 CV 1 ASSI { 770} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1584 and name HB )) 3.300 1.400 1.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.33358E-02 ppm1 0.804 ppm2 2.167 CV 1 ASSI { 773} ( segid " " and resid 1613 and name HG1%) (( segid " " and resid 1613 and name HB )) 2.400 0.600 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.10129E-01 ppm1 0.690 ppm2 1.414 CV 1 ASSI { 777} ( segid " " and resid 1642 and name HG2%) ( segid " " and resid 1532 and name HD2%) 4.000 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.30328E-02 ppm1 1.135 ppm2 0.003 CV 1 ASSI { 778} ( segid " " and resid 1518 and name HG1%) ( segid " " and resid 1588 and name HD2%) 3.300 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.13716E-01 ppm1 0.725 ppm2 0.333 CV 1 ASSI { 779} ( segid " " and resid 1518 and name HG1%) ( segid " " and resid 1588 and name HD1%) 3.500 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.69401E-02 ppm1 0.768 ppm2 0.191 CV 1 ASSI { 782} ( segid " " and resid 1518 and name HG1%) ( segid " " and resid 1518 and name HG2%) 2.800 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.11926E-01 ppm1 0.769 ppm2 1.328 CV 1 ASSI { 783} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1581 and name HG )) 4.100 1.100 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.18680E-02 ppm1 0.774 ppm2 1.417 CV 1 ASSI { 784} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1527 and name HB2 )) 3.300 1.300 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 0.770 ppm2 2.716 CV 1 ASSI { 785} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1583 and name HB2 )) 3.500 1.500 1.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.25794E-02 ppm1 0.771 ppm2 2.647 CV 1 ASSI { 786} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1527 and name HB1 )) 3.700 1.700 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.30288E-02 ppm1 0.771 ppm2 3.081 CV 1 ASSI { 789} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1518 and name HA )) 2.800 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 0.727 ppm2 4.499 CV 1 ASSI { 793} ( segid " " and resid 1609 and name HG1%) ( segid " " and resid 1637 and name HE1 ) 4.000 1.000 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.32590E-02 ppm1 0.727 ppm2 7.302 CV 1 OR { 793} ( segid " " and resid 1609 and name HG1%) ( segid " " and resid 1637 and name HE2 ) ASSI { 794} ( segid " " and resid 1609 and name HG1%) ( segid " " and resid 1637 and name HD% ) 3.500 1.500 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 0.722 ppm2 7.205 CV 1 ASSI { 795} ( segid " " and resid 1518 and name HG1%) ( segid " " and resid 1583 and name HD% ) 4.500 2.000 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.21286E-02 ppm1 0.778 ppm2 6.886 CV 1 ASSI { 797} ( segid " " and resid 1609 and name HG1%) (( segid " " and resid 1609 and name HN )) 2.800 0.900 1.500 peak 797 spectrum 1 weight 0.10000E+01 volume 0.51676E-02 ppm1 0.726 ppm2 9.204 CV 1 ASSI { 800} ( segid " " and resid 1591 and name HG1%) (( segid " " and resid 1607 and name HE2 )) 4.000 0.800 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.27350E-02 ppm1 0.872 ppm2 3.048 CV 1 ASSI { 802} ( segid " " and resid 1609 and name HG2%) (( segid " " and resid 1591 and name HA )) 4.000 1.000 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.13035E-02 ppm1 0.923 ppm2 5.015 CV 1 ASSI { 804} ( segid " " and resid 1609 and name HG2%) ( segid " " and resid 1637 and name HD1 ) 4.000 1.000 1.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.41210E-02 ppm1 0.929 ppm2 7.207 CV 1 OR { 804} ( segid " " and resid 1609 and name HG2%) ( segid " " and resid 1637 and name HD2 ) ASSI { 809} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1585 and name HN )) 3.300 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.53122E-02 ppm1 0.825 ppm2 9.025 CV 1 OR { 809} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1585 and name HN )) ASSI { 814} ( segid " " and resid 1633 and name HG2%) (( segid " " and resid 1632 and name HN )) 4.700 2.700 1.300 peak 814 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 1.207 ppm2 8.514 CV 1 ASSI { 815} ( segid " " and resid 1633 and name HG2%) (( segid " " and resid 1634 and name HN )) 4.300 2.400 1.700 peak 815 spectrum 1 weight 0.10000E+01 volume 0.16614E-02 ppm1 1.210 ppm2 8.036 CV 1 OR { 815} ( segid " " and resid 1529 and name HB1 ) (( segid " " and resid 1532 and name HN )) ASSI { 817} ( segid " " and resid 1633 and name HG2%) (( segid " " and resid 1633 and name HN )) 2.900 1.000 1.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.46400E-02 ppm1 1.205 ppm2 7.208 CV 1 ASSI { 818} ( segid " " and resid 1587 and name HG1%) (( segid " " and resid 1587 and name HN )) 2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.92270E-02 ppm1 0.887 ppm2 7.695 CV 1 ASSI { 822} ( segid " " and resid 1633 and name HG2%) (( segid " " and resid 1633 and name HB )) 2.200 0.600 0.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11358E-01 ppm1 1.206 ppm2 4.462 CV 1 ASSI { 825} ( segid " " and resid 1633 and name HG2%) (( segid " " and resid 1632 and name HB1 )) 3.800 1.800 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.35281E-02 ppm1 1.206 ppm2 2.394 CV 1 ASSI { 827} ( segid " " and resid 1609 and name HG2%) (( segid " " and resid 1609 and name HB )) 2.200 0.600 0.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.87130E-02 ppm1 0.929 ppm2 1.987 CV 1 ASSI { 828} ( segid " " and resid 1587 and name HG1%) (( segid " " and resid 1585 and name HB2 )) 4.000 1.100 1.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 0.888 ppm2 2.560 CV 1 ASSI { 830} ( segid " " and resid 1547 and name HG2%) ( segid " " and resid 1539 and name HG2%) 3.500 1.100 1.300 peak 830 spectrum 1 weight 0.10000E+01 volume 0.97364E-02 ppm1 0.682 ppm2 1.139 CV 1 ASSI { 833} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1582 and name HD2 )) 3.800 1.800 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.24352E-02 ppm1 0.827 ppm2 3.250 CV 1 OR { 833} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1582 and name HD1 )) ASSI { 834} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1539 and name HB )) 3.300 0.600 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.41873E-02 ppm1 0.682 ppm2 3.930 CV 1 ASSI { 837} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1547 and name HA )) 2.800 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.35510E-02 ppm1 0.683 ppm2 4.969 CV 1 ASSI { 839} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1542 and name HN )) 3.500 1.500 1.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.22036E-02 ppm1 0.681 ppm2 8.225 CV 1 ASSI { 840} ( segid " " and resid 1547 and name HG1%) ( segid " " and resid 1549 and name HE% ) 4.500 1.000 1.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.17301E-02 ppm1 0.679 ppm2 6.755 CV 1 ASSI { 842} ( segid " " and resid 1609 and name HG1%) ( segid " " and resid 1637 and name HE1 ) 4.000 1.400 2.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.27335E-02 ppm1 0.931 ppm2 7.282 CV 1 OR { 842} ( segid " " and resid 1609 and name HG1%) ( segid " " and resid 1637 and name HE2 ) ASSI { 846} ( segid " " and resid 1609 and name HG2%) (( segid " " and resid 1608 and name HA )) 4.500 2.900 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 0.727 ppm2 5.643 CV 1 ASSI { 847} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1519 and name HN )) 4.000 1.600 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.16508E-02 ppm1 0.772 ppm2 7.911 CV 1 ASSI { 848} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1548 and name HN )) 3.300 1.200 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.38371E-02 ppm1 0.681 ppm2 9.026 CV 1 ASSI { 850} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1547 and name HN )) 3.600 1.600 1.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.37267E-02 ppm1 0.685 ppm2 8.451 CV 1 ASSI { 852} ( segid " " and resid 1587 and name HG1%) (( segid " " and resid 1584 and name HN )) 4.000 1.500 1.500 peak 852 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 0.893 ppm2 8.745 CV 1 ASSI { 857} ( segid " " and resid 1548 and name HG1%) (( segid " " and resid 1549 and name HN )) 2.800 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.41071E-02 ppm1 0.769 ppm2 8.911 CV 1 ASSI { 858} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1524 and name HN )) 3.900 1.000 1.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.18822E-02 ppm1 1.158 ppm2 8.719 CV 1 ASSI { 860} ( segid " " and resid 1548 and name HG1%) ( segid " " and resid 1638 and name HD1 ) 4.000 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.41314E-02 ppm1 0.771 ppm2 7.107 CV 1 OR { 860} ( segid " " and resid 1548 and name HG1%) ( segid " " and resid 1638 and name HD2 ) ASSI { 861} ( segid " " and resid 1548 and name HG1%) (( segid " " and resid 1638 and name HZ )) 3.300 1.000 1.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.60702E-02 ppm1 0.769 ppm2 6.949 CV 1 ASSI { 861} (( segid " " and resid 1590 and name HN )) ( segid " " and resid 1589 and name HE21) 4.500 1.000 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.83414E-03 ppm1 8.969 ppm2 6.681 CV 1 ASSI { 862} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1523 and name HN )) 2.800 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.51284E-02 ppm1 1.165 ppm2 6.812 CV 1 ASSI { 863} ( segid " " and resid 1548 and name HG1%) (( segid " " and resid 1565 and name HA )) 4.000 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 0.768 ppm2 5.857 CV 1 ASSI { 865} ( segid " " and resid 1591 and name HG2%) (( segid " " and resid 1591 and name HA )) 2.800 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.48491E-02 ppm1 0.986 ppm2 5.018 CV 1 ASSI { 866} ( segid " " and resid 1548 and name HG1%) (( segid " " and resid 1548 and name HA )) 2.800 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.32844E-02 ppm1 0.769 ppm2 4.643 CV 1 ASSI { 868} ( segid " " and resid 1591 and name HG2%) (( segid " " and resid 1592 and name HB1 )) 4.200 2.200 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.16527E-02 ppm1 0.996 ppm2 3.241 CV 1 OR { 868} ( segid " " and resid 1591 and name HG1%) (( segid " " and resid 1592 and name HB1 )) ASSI { 870} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1546 and name HA1 )) 4.800 2.800 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.13760E-02 ppm1 0.683 ppm2 4.323 CV 1 ASSI { 874} ( segid " " and resid 1584 and name HG2%) (( segid " " and resid 1585 and name HB1 )) 4.000 2.000 2.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 0.815 ppm2 2.848 CV 1 OR { 874} ( segid " " and resid 1584 and name HG1%) (( segid " " and resid 1585 and name HB1 )) ASSI { 875} ( segid " " and resid 1518 and name HG1%) (( segid " " and resid 1518 and name HB )) 2.500 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.59317E-02 ppm1 0.770 ppm2 2.300 CV 1 ASSI { 876} ( segid " " and resid 1548 and name HG1%) (( segid " " and resid 1548 and name HB )) 2.800 0.600 0.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.79916E-02 ppm1 0.769 ppm2 1.967 CV 1 ASSI { 877} ( segid " " and resid 1548 and name HG1%) ( segid " " and resid 1565 and name HB% ) 3.000 1.000 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.86674E-02 ppm1 0.767 ppm2 1.242 CV 1 ASSI { 878} ( segid " " and resid 1547 and name HG2%) (( segid " " and resid 1547 and name HB )) 2.800 0.500 0.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 0.680 ppm2 1.822 CV 1 ASSI { 887} (( segid " " and resid 1529 and name HN )) (( segid " " and resid 1529 and name HB2 )) 2.900 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 8.360 ppm2 1.317 CV 1 ASSI { 897} ( segid " " and resid 1591 and name HG2%) (( segid " " and resid 1591 and name HB )) 2.800 0.600 0.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.14693E-01 ppm1 0.986 ppm2 2.083 CV 1 ASSI { 904} ( segid " " and resid 1548 and name HG1%) ( segid " " and resid 1574 and name HG2%) 3.800 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.56410E-02 ppm1 0.767 ppm2 0.447 CV 1 ASSI { 907} ( segid " " and resid 1523 and name HG2%) (( segid " " and resid 1520 and name HD21)) 3.300 1.100 1.100 peak 907 spectrum 1 weight 0.10000E+01 volume 0.34308E-02 ppm1 1.165 ppm2 7.270 CV 1 ASSI { 910} ( segid " " and resid 1613 and name HG2%) (( segid " " and resid 1614 and name HN )) 3.600 1.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.51270E-02 ppm1 0.907 ppm2 9.211 CV 1 ASSI { 911} ( segid " " and resid 1613 and name HG2%) (( segid " " and resid 1613 and name HN )) 2.900 1.100 1.100 peak 911 spectrum 1 weight 0.10000E+01 volume 0.25208E-02 ppm1 0.908 ppm2 8.418 CV 1 ASSI { 912} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1532 and name HN )) 3.400 1.400 1.400 peak 912 spectrum 1 weight 0.10000E+01 volume 0.33455E-02 ppm1 0.783 ppm2 8.017 CV 1 ASSI { 913} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1533 and name HN )) 3.800 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.27575E-02 ppm1 0.784 ppm2 7.720 CV 1 ASSI { 917} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1532 and name HA )) 3.000 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.58761E-02 ppm1 0.783 ppm2 4.765 CV 1 ASSI { 925} ( segid " " and resid 1548 and name HG2%) (( segid " " and resid 1542 and name HB1 )) 3.100 1.200 1.200 peak 925 spectrum 1 weight 0.10000E+01 volume 0.28257E-02 ppm1 0.834 ppm2 3.033 CV 1 ASSI { 926} ( segid " " and resid 1548 and name HG2%) (( segid " " and resid 1542 and name HB2 )) 3.300 0.800 0.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 0.840 ppm2 2.699 CV 1 ASSI { 927} ( segid " " and resid 1613 and name HG2%) (( segid " " and resid 1613 and name HB )) 2.800 0.600 0.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.11417E-01 ppm1 0.908 ppm2 1.413 CV 1 ASSI { 928} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1532 and name HB2 )) 2.800 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.49193E-02 ppm1 0.784 ppm2 1.644 CV 1 ASSI { 929} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1532 and name HB1 )) 3.100 1.200 1.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.33728E-02 ppm1 0.788 ppm2 1.715 CV 1 ASSI { 931} ( segid " " and resid 1548 and name HG2%) ( segid " " and resid 1626 and name HD2%) 4.200 1.600 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.27713E-02 ppm1 0.838 ppm2 0.171 CV 1 ASSI { 932} ( segid " " and resid 1548 and name HG2%) ( segid " " and resid 1574 and name HG2%) 4.000 1.000 1.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.25924E-02 ppm1 0.846 ppm2 0.468 CV 1 ASSI { 935} ( segid " " and resid 1540 and name HB% ) (( segid " " and resid 1548 and name HB )) 3.300 0.700 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.70762E-02 ppm1 1.297 ppm2 1.973 CV 1 ASSI { 940} ( segid " " and resid 1540 and name HB% ) (( segid " " and resid 1638 and name HZ )) 4.500 1.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.19887E-02 ppm1 1.297 ppm2 6.967 CV 1 ASSI { 942} ( segid " " and resid 1548 and name HG2%) ( segid " " and resid 1567 and name HE% ) 4.000 1.200 1.200 peak 942 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 0.841 ppm2 6.505 CV 1 ASSI { 945} ( segid " " and resid 1540 and name HB% ) (( segid " " and resid 1540 and name HA )) 2.800 0.600 0.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.74174E-02 ppm1 1.296 ppm2 4.818 CV 1 ASSI { 948} ( segid " " and resid 1548 and name HG2%) ( segid " " and resid 1542 and name HE% ) 4.100 1.200 1.200 peak 948 spectrum 1 weight 0.10000E+01 volume 0.19954E-02 ppm1 0.839 ppm2 6.668 CV 1 ASSI { 949} ( segid " " and resid 1587 and name HG2%) (( segid " " and resid 1611 and name HA )) 4.000 1.200 1.200 peak 949 spectrum 1 weight 0.10000E+01 volume 0.23243E-02 ppm1 0.937 ppm2 5.343 CV 1 ASSI { 950} ( segid " " and resid 1548 and name HG2%) (( segid " " and resid 1567 and name HA )) 2.800 0.800 1.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.19631E-02 ppm1 0.838 ppm2 5.200 CV 1 ASSI { 951} ( segid " " and resid 1548 and name HG2%) (( segid " " and resid 1548 and name HA )) 4.000 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.34328E-02 ppm1 0.837 ppm2 4.631 CV 1 ASSI { 954} ( segid " " and resid 1540 and name HB% ) (( segid " " and resid 1626 and name HN )) 4.000 1.700 1.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.17926E-02 ppm1 1.294 ppm2 9.352 CV 1 ASSI { 958} ( segid " " and resid 1587 and name HG2%) (( segid " " and resid 1588 and name HN )) 2.800 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.65842E-02 ppm1 0.938 ppm2 8.274 CV 1 ASSI { 959} ( segid " " and resid 1621 and name HG2%) (( segid " " and resid 1621 and name HN )) 4.000 1.900 1.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.38264E-02 ppm1 1.310 ppm2 8.168 CV 1 ASSI { 960} ( segid " " and resid 1587 and name HG2%) (( segid " " and resid 1587 and name HN )) 3.300 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.37189E-02 ppm1 0.937 ppm2 7.696 CV 1 ASSI { 965} ( segid " " and resid 1519 and name HG2%) (( segid " " and resid 1527 and name HN )) 4.100 2.100 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 0.908 ppm2 9.270 CV 1 ASSI { 966} ( segid " " and resid 1565 and name HB% ) (( segid " " and resid 1566 and name HN )) 3.100 1.200 1.200 peak 966 spectrum 1 weight 0.10000E+01 volume 0.35496E-02 ppm1 1.235 ppm2 9.206 CV 1 ASSI { 967} ( segid " " and resid 1570 and name HG2%) (( segid " " and resid 1570 and name HN )) 2.800 0.800 1.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.34927E-02 ppm1 1.299 ppm2 8.318 CV 1 ASSI { 971} ( segid " " and resid 1565 and name HB% ) (( segid " " and resid 1565 and name HN )) 2.800 0.900 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.26054E-02 ppm1 1.234 ppm2 7.408 CV 1 ASSI { 973} ( segid " " and resid 1540 and name HB% ) ( segid " " and resid 1638 and name HE% ) 3.400 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.22133E-02 ppm1 1.230 ppm2 6.874 CV 1 ASSI { 976} ( segid " " and resid 1565 and name HB% ) (( segid " " and resid 1565 and name HA )) 2.300 0.700 0.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.51900E-02 ppm1 1.230 ppm2 5.853 CV 1 ASSI { 977} ( segid " " and resid 1519 and name HG2%) (( segid " " and resid 1519 and name HA )) 2.800 0.700 0.700 peak 977 spectrum 1 weight 0.10000E+01 volume 0.64948E-02 ppm1 0.913 ppm2 5.570 CV 1 ASSI { 981} ( segid " " and resid 1621 and name HG2%) (( segid " " and resid 1621 and name HB )) 2.800 0.500 0.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.21203E-01 ppm1 1.302 ppm2 4.398 CV 1 ASSI { 987} ( segid " " and resid 1519 and name HG2%) (( segid " " and resid 1519 and name HB )) 2.800 0.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.10925E-01 ppm1 0.913 ppm2 3.723 CV 1 ASSI { 988} ( segid " " and resid 1519 and name HG2%) (( segid " " and resid 1524 and name HA2 )) 3.300 0.900 1.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.40979E-02 ppm1 0.918 ppm2 3.588 CV 1 ASSI { 991} ( segid " " and resid 1570 and name HG2%) (( segid " " and resid 1569 and name HG2 )) 3.300 1.200 1.200 peak 991 spectrum 1 weight 0.10000E+01 volume 0.40138E-02 ppm1 1.300 ppm2 2.525 CV 1 OR { 991} ( segid " " and resid 1570 and name HG2%) (( segid " " and resid 1569 and name HG1 )) ASSI { 992} ( segid " " and resid 1570 and name HG2%) (( segid " " and resid 1569 and name HB1 )) 4.000 1.000 1.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 1.302 ppm2 2.448 CV 1 ASSI { 993} ( segid " " and resid 1570 and name HG2%) (( segid " " and resid 1569 and name HB2 )) 4.500 0.500 1.200 peak 993 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 1.303 ppm2 2.332 CV 1 ASSI { 995} ( segid " " and resid 1548 and name HG2%) (( segid " " and resid 1548 and name HB )) 2.800 0.500 0.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.93467E-02 ppm1 0.838 ppm2 1.970 CV 1 ASSI { 997} ( segid " " and resid 1532 and name HD2%) (( segid " " and resid 1532 and name HG )) 2.800 0.600 0.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.10415E-01 ppm1 0.783 ppm2 1.304 CV 1 ASSI { 998} ( segid " " and resid 1635 and name HG2%) (( segid " " and resid 1607 and name HG2 )) 3.300 1.500 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.41342E-02 ppm1 0.330 ppm2 1.317 CV 1 ASSI { 1001} ( segid " " and resid 1532 and name HD2%) ( segid " " and resid 1532 and name HD1%) 2.800 0.700 0.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.14813E-01 ppm1 0.782 ppm2 0.059 CV 1 ASSI { 1004} ( segid " " and resid 1540 and name HB% ) ( segid " " and resid 1550 and name HE% ) 3.800 0.800 1.500 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.88476E-02 ppm1 1.300 ppm2 0.779 CV 1 ASSI { 1006} ( segid " " and resid 1635 and name HG2%) (( segid " " and resid 1607 and name HB2 )) 3.800 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.37873E-02 ppm1 0.330 ppm2 1.980 CV 1 OR { 1006} ( segid " " and resid 1635 and name HG2%) (( segid " " and resid 1607 and name HB1 )) ASSI { 1007} ( segid " " and resid 1635 and name HG2%) (( segid " " and resid 1607 and name HD1 )) 3.500 1.100 1.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.38378E-02 ppm1 0.331 ppm2 1.583 CV 1 ASSI { 1010} ( segid " " and resid 1644 and name HD1%) ( segid " " and resid 1532 and name HD2%) 3.300 1.500 1.500 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.45100E-02 ppm1 0.975 ppm2 0.013 CV 1 ASSI { 1016} ( segid " " and resid 1519 and name HG2%) (( segid " " and resid 1518 and name HN )) 4.600 0.800 1.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.19293E-02 ppm1 0.913 ppm2 8.723 CV 1 ASSI { 1018} ( segid " " and resid 1635 and name HG2%) ( segid " " and resid 1637 and name HE% ) 3.300 1.500 2.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.42557E-02 ppm1 0.331 ppm2 7.298 CV 1 OR { 1018} ( segid " " and resid 1635 and name HG2%) ( segid " " and resid 1637 and name HZ ) ASSI { 1019} ( segid " " and resid 1635 and name HG2%) (( segid " " and resid 1636 and name HN )) 3.100 1.300 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.50650E-02 ppm1 0.331 ppm2 9.204 CV 1 ASSI { 1020} ( segid " " and resid 1548 and name HG2%) ( segid " " and resid 1567 and name HD% ) 3.500 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 0.840 ppm2 6.850 CV 1 ASSI { 1021} ( segid " " and resid 1644 and name HD2%) (( segid " " and resid 1644 and name HG )) 2.800 0.500 0.500 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.12741E-01 ppm1 0.976 ppm2 1.617 CV 1 ASSI { 1027} ( segid " " and resid 1644 and name HD2%) ( segid " " and resid 1644 and name HD1%) 2.800 1.000 0.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.22844E-01 ppm1 0.975 ppm2 0.797 CV 1 ASSI { 1030} (( segid " " and resid 1607 and name HG2 )) (( segid " " and resid 1607 and name HB2 )) 2.800 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.32357E-02 ppm1 1.321 ppm2 1.977 CV 1 OR { 1030} (( segid " " and resid 1607 and name HG2 )) (( segid " " and resid 1607 and name HB1 )) ASSI { 1032} (( segid " " and resid 1607 and name HG2 )) (( segid " " and resid 1607 and name HG1 )) 2.600 0.800 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10694E-01 ppm1 1.321 ppm2 1.585 CV 1 OR { 1032} (( segid " " and resid 1607 and name HG2 )) (( segid " " and resid 1607 and name HD2 )) ASSI { 1034} (( segid " " and resid 1607 and name HG1 )) (( segid " " and resid 1607 and name HG2 )) 2.200 0.400 0.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.70167E-02 ppm1 1.574 ppm2 1.320 CV 1 ASSI { 1035} (( segid " " and resid 1607 and name HG1 )) (( segid " " and resid 1607 and name HB1 )) 2.600 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.30016E-02 ppm1 1.582 ppm2 1.980 CV 1 OR { 1035} (( segid " " and resid 1607 and name HG1 )) (( segid " " and resid 1607 and name HB2 )) ASSI { 1036} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1517 and name HA )) 4.500 0.500 1.500 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.15499E-02 ppm1 0.672 ppm2 5.449 CV 1 ASSI { 1038} (( segid " " and resid 1526 and name HB1 )) (( segid " " and resid 1526 and name HA )) 2.800 1.000 1.200 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 1.532 ppm2 4.223 CV 1 ASSI { 1040} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1527 and name HN )) 3.500 1.500 2.500 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.55170E-02 ppm1 0.669 ppm2 9.267 CV 1 ASSI { 1041} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1518 and name HN )) 3.300 1.000 1.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.39490E-02 ppm1 0.670 ppm2 8.762 CV 1 ASSI { 1042} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1526 and name HN )) 4.000 2.000 2.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.27364E-02 ppm1 0.671 ppm2 7.856 CV 1 ASSI { 1043} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1526 and name HA )) 3.000 1.200 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.75660E-02 ppm1 0.670 ppm2 4.229 CV 1 ASSI { 1044} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1517 and name HG2 )) 3.300 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.31363E-02 ppm1 0.670 ppm2 2.345 CV 1 ASSI { 1045} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1517 and name HG1 )) 3.200 1.300 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.62052E-02 ppm1 0.671 ppm2 2.130 CV 1 ASSI { 1046} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1517 and name HB1 )) 2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.42357E-02 ppm1 0.670 ppm2 1.966 CV 1 OR { 1046} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1517 and name HB2 )) ASSI { 1047} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1526 and name HB1 )) 2.800 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.54796E-02 ppm1 0.672 ppm2 1.533 CV 1 ASSI { 1049} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1526 and name HG )) 2.800 0.500 0.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.12713E-01 ppm1 0.671 ppm2 1.116 CV 1 ASSI { 1050} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1526 and name HB2 )) 3.600 1.600 1.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.31199E-02 ppm1 0.672 ppm2 1.197 CV 1 ASSI { 1051} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1519 and name HA )) 4.000 1.300 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.27074E-02 ppm1 0.671 ppm2 5.569 CV 1 ASSI { 1054} ( segid " " and resid 1563 and name HG2%) (( segid " " and resid 1565 and name HN )) 3.300 0.800 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.48605E-02 ppm1 1.255 ppm2 7.409 CV 1 ASSI { 1059} ( segid " " and resid 1563 and name HG2%) (( segid " " and resid 1563 and name HA )) 2.800 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.44331E-02 ppm1 1.256 ppm2 3.915 CV 1 ASSI { 1061} ( segid " " and resid 1563 and name HG2%) (( segid " " and resid 1566 and name HB2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.20938E-02 ppm1 1.252 ppm2 2.889 CV 1 ASSI { 1065} ( segid " " and resid 1563 and name HG2%) ( segid " " and resid 1563 and name HG1%) 2.800 0.700 0.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.81391E-02 ppm1 1.254 ppm2 0.935 CV 1 ASSI { 1069} ( segid " " and resid 1529 and name HD1%) (( segid " " and resid 1529 and name HB2 )) 2.800 0.700 1.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.59904E-02 ppm1 -0.303 ppm2 1.324 CV 1 ASSI { 1112} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1588 and name HD1%) 4.000 1.200 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 0.690 ppm2 0.189 CV 1 ASSI { 1072} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1644 and name HD1%) 4.000 1.200 1.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.56787E-02 ppm1 -0.304 ppm2 0.798 CV 1 ASSI { 1073} ( segid " " and resid 1529 and name HD1%) ( segid " " and resid 1581 and name HD2%) 4.000 1.800 1.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.79906E-02 ppm1 -0.304 ppm2 0.687 CV 1 ASSI { 1074} ( segid " " and resid 1529 and name HD1%) ( segid " " and resid 1588 and name HD2%) 3.800 0.900 1.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.44715E-02 ppm1 -0.303 ppm2 0.491 CV 1 ASSI { 1077} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1610 and name HG2%) 4.000 1.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.28725E-02 ppm1 1.020 ppm2 0.202 CV 1 ASSI { 1078} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1590 and name HG )) 2.800 0.600 0.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.78335E-02 ppm1 1.021 ppm2 1.563 CV 1 ASSI { 1079} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1629 and name HG )) 2.800 0.800 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.12097E-01 ppm1 0.892 ppm2 1.524 CV 1 OR { 1079} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1629 and name HG )) OR { 1079} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1629 and name HB2 )) OR { 1079} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1629 and name HB2 )) ASSI { 1080} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1590 and name HB2 )) 2.800 0.700 0.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.81751E-02 ppm1 1.020 ppm2 1.436 CV 1 OR { 1080} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1590 and name HB1 )) ASSI { 1081} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1627 and name HG11)) 4.000 1.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.67673E-02 ppm1 0.894 ppm2 1.424 CV 1 OR { 1081} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1627 and name HG11)) OR { 1081} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1627 and name HG12)) OR { 1081} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1627 and name HG12)) OR { 1081} ( segid " " and resid 1563 and name HG1%) (( segid " " and resid 1576 and name HG1 )) ASSI { 1084} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1631 and name HD1 )) 4.000 2.200 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.40558E-02 ppm1 0.894 ppm2 1.656 CV 1 OR { 1084} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1631 and name HD1 )) ASSI { 1089} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1590 and name HA )) 3.000 1.100 1.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.41773E-02 ppm1 1.023 ppm2 4.867 CV 1 ASSI { 1090} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1581 and name HA )) 4.000 0.800 1.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.23430E-02 ppm1 1.020 ppm2 4.641 CV 1 ASSI { 1091} ( segid " " and resid 1529 and name HD1%) (( segid " " and resid 1529 and name HA )) 4.100 2.100 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.19733E-02 ppm1 -0.305 ppm2 4.415 CV 1 ASSI { 1096} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1631 and name HN )) 4.700 2.700 1.300 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 0.893 ppm2 9.047 CV 1 OR { 1096} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1631 and name HN )) ASSI { 1097} ( segid " " and resid 1563 and name HG2%) (( segid " " and resid 1574 and name HN )) 4.200 1.800 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.14526E-02 ppm1 1.258 ppm2 8.995 CV 1 ASSI { 1098} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1590 and name HN )) 4.000 1.000 1.600 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 1.021 ppm2 8.932 CV 1 ASSI { 1100} ( segid " " and resid 1590 and name HD1%) (( segid " " and resid 1553 and name HN )) 3.700 1.700 1.700 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 1.020 ppm2 8.214 CV 1 ASSI { 1101} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1592 and name HE1 ) 3.800 1.300 1.300 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.30340E-02 ppm1 1.022 ppm2 7.125 CV 1 OR { 1101} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1592 and name HE2 ) ASSI { 1103} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1612 and name HE1 ) 4.500 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.15668E-02 ppm1 1.021 ppm2 6.382 CV 1 OR { 1103} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1612 and name HE2 ) ASSI { 1104} ( segid " " and resid 1529 and name HD2%) ( segid " " and resid 1612 and name HD% ) 4.400 1.400 1.400 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.28022E-02 ppm1 -0.302 ppm2 6.681 CV 1 ASSI { 1105} ( segid " " and resid 1529 and name HD1%) ( segid " " and resid 1612 and name HE% ) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.18160E-02 ppm1 -0.300 ppm2 6.373 CV 1 ASSI { 1110} ( segid " " and resid 1529 and name HD1%) ( segid " " and resid 1581 and name HD1%) 3.800 1.800 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.34944E-02 ppm1 -0.307 ppm2 0.615 CV 1 ASSI { 1115} ( segid " " and resid 1532 and name HD1%) ( segid " " and resid 1640 and name HZ3 ) 4.000 1.900 1.500 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.19503E-02 ppm1 0.056 ppm2 6.367 CV 1 ASSI { 1116} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1612 and name HD1 ) 4.500 1.000 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.16446E-02 ppm1 0.693 ppm2 6.684 CV 1 OR { 1116} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1612 and name HD2 ) ASSI { 1117} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1612 and name HE1 ) 4.500 1.000 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 0.690 ppm2 6.357 CV 1 OR { 1117} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1612 and name HE2 ) ASSI { 1118} ( segid " " and resid 1581 and name HD1%) (( segid " " and resid 1517 and name HA )) 4.800 1.000 1.200 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 0.693 ppm2 5.440 CV 1 ASSI { 1119} ( segid " " and resid 1581 and name HD2%) (( segid " " and resid 1581 and name HA )) 3.300 1.400 1.400 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.41965E-02 ppm1 0.688 ppm2 4.627 CV 1 ASSI { 1120} ( segid " " and resid 1581 and name HD2%) (( segid " " and resid 1589 and name HN )) 4.000 1.400 1.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.22152E-02 ppm1 0.690 ppm2 9.441 CV 1 ASSI { 1121} ( segid " " and resid 1581 and name HD2%) (( segid " " and resid 1582 and name HN )) 3.300 1.300 1.300 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.39472E-02 ppm1 0.690 ppm2 8.933 CV 1 ASSI { 1123} ( segid " " and resid 1581 and name HD2%) (( segid " " and resid 1581 and name HB1 )) 2.800 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.41242E-02 ppm1 0.694 ppm2 1.660 CV 1 ASSI { 1124} ( segid " " and resid 1581 and name HD2%) (( segid " " and resid 1590 and name HG )) 3.500 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.50561E-02 ppm1 0.690 ppm2 1.567 CV 1 ASSI { 1127} ( segid " " and resid 1581 and name HD2%) ( segid " " and resid 1590 and name HD1%) 3.800 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 0.690 ppm2 1.133 CV 1 ASSI { 1131} ( segid " " and resid 1636 and name HD2%) ( segid " " and resid 1626 and name HD1%) 3.800 1.000 1.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.27525E-02 ppm1 0.916 ppm2 0.169 CV 1 ASSI { 1134} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1636 and name HG )) 2.800 0.500 0.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.76066E-02 ppm1 0.973 ppm2 1.575 CV 1 ASSI { 1136} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1574 and name HB )) 4.000 0.900 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 0.974 ppm2 2.269 CV 1 ASSI { 1141} ( segid " " and resid 1636 and name HD1%) (( segid " " and resid 1635 and name HA )) 4.000 1.100 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.23201E-02 ppm1 0.974 ppm2 5.053 CV 1 ASSI { 1143} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1636 and name HA )) 4.000 1.700 1.700 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.18182E-02 ppm1 0.974 ppm2 4.691 CV 1 ASSI { 1146} ( segid " " and resid 1588 and name HD2%) ( segid " " and resid 1527 and name HD1 ) 4.000 0.900 1.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.31396E-02 ppm1 0.486 ppm2 7.540 CV 1 OR { 1146} ( segid " " and resid 1588 and name HD2%) ( segid " " and resid 1527 and name HD2 ) ASSI { 1147} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1636 and name HN )) 3.300 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.41374E-02 ppm1 0.971 ppm2 9.206 CV 1 ASSI { 1148} ( segid " " and resid 1588 and name HD2%) (( segid " " and resid 1588 and name HG )) 2.800 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.60139E-02 ppm1 0.487 ppm2 1.378 CV 1 OR { 1148} ( segid " " and resid 1588 and name HD2%) (( segid " " and resid 1588 and name HB2 )) ASSI { 1150} ( segid " " and resid 1588 and name HD2%) (( segid " " and resid 1588 and name HB1 )) 2.800 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.28353E-02 ppm1 0.488 ppm2 1.783 CV 1 ASSI { 1152} ( segid " " and resid 1588 and name HD2%) (( segid " " and resid 1612 and name HB1 )) 4.500 1.000 1.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.14732E-02 ppm1 0.483 ppm2 2.846 CV 1 ASSI { 1153} ( segid " " and resid 1588 and name HD1%) (( segid " " and resid 1527 and name HB2 )) 3.300 0.600 1.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.27329E-02 ppm1 0.486 ppm2 2.721 CV 1 ASSI { 1154} ( segid " " and resid 1532 and name HD1%) (( segid " " and resid 1532 and name HB2 )) 3.200 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.29010E-02 ppm1 0.056 ppm2 1.638 CV 1 ASSI { 2597} ( segid " " and resid 1532 and name HD1%) (( segid " " and resid 1532 and name HB1 )) 3.300 1.500 1.200 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.29010E-02 ppm1 0.056 ppm2 1.638 CV 1 ASSI { 1155} ( segid " " and resid 1532 and name HD1%) (( segid " " and resid 1532 and name HG )) 2.500 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.49660E-02 ppm1 0.058 ppm2 1.306 CV 1 ASSI { 1161} (( segid " " and resid 1579 and name HG1 )) (( segid " " and resid 1579 and name HD1 )) 2.600 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.40993E-02 ppm1 1.305 ppm2 1.811 CV 1 OR { 1161} (( segid " " and resid 1579 and name HG2 )) (( segid " " and resid 1579 and name HD2 )) OR { 1161} (( segid " " and resid 1579 and name HG1 )) (( segid " " and resid 1579 and name HD2 )) OR { 1161} (( segid " " and resid 1579 and name HG2 )) (( segid " " and resid 1579 and name HD1 )) ASSI { 1164} ( segid " " and resid 1636 and name HD1%) ( segid " " and resid 1606 and name HD% ) 3.000 0.700 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.53688E-02 ppm1 0.974 ppm2 7.178 CV 1 ASSI { 1166} ( segid " " and resid 1604 and name HD2%) (( segid " " and resid 1604 and name HN )) 3.800 1.800 1.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.20167E-02 ppm1 0.891 ppm2 7.735 CV 1 ASSI { 1172} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1528 and name HB1 )) 3.500 0.800 1.100 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.31495E-02 ppm1 0.748 ppm2 2.342 CV 1 ASSI { 1173} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1517 and name HG2 )) 3.800 1.600 1.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.21420E-02 ppm1 0.748 ppm2 2.133 CV 1 ASSI { 1174} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1517 and name HB1 )) 3.300 1.400 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.18953E-02 ppm1 0.753 ppm2 1.969 CV 1 OR { 1174} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1517 and name HB2 )) ASSI { 1175} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1636 and name HB1 )) 2.800 0.700 1.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.38931E-02 ppm1 0.974 ppm2 1.897 CV 1 ASSI { 1177} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1526 and name HA )) 3.900 1.900 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.20802E-02 ppm1 0.743 ppm2 4.226 CV 1 ASSI { 1178} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1528 and name HB1 )) 4.500 1.000 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 0.747 ppm2 2.915 CV 1 ASSI { 1180} ( segid " " and resid 1604 and name HD2%) (( segid " " and resid 1634 and name HB1 )) 4.200 1.300 1.300 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.22312E-02 ppm1 0.891 ppm2 3.089 CV 1 ASSI { 1182} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1526 and name HB2 )) 2.800 0.600 0.600 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.94218E-02 ppm1 0.746 ppm2 1.174 CV 1 ASSI { 1183} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1526 and name HG )) 2.100 0.600 0.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.11515E-01 ppm1 0.746 ppm2 1.117 CV 1 ASSI { 1184} ( segid " " and resid 1604 and name HD2%) (( segid " " and resid 1604 and name HB2 )) 2.800 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.10127E-01 ppm1 0.890 ppm2 1.474 CV 1 ASSI { 1187} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1517 and name HE22)) 4.000 1.500 2.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 0.747 ppm2 7.251 CV 1 ASSI { 1191} ( segid " " and resid 1629 and name HD2%) (( segid " " and resid 1630 and name HN )) 3.300 1.400 1.500 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 0.915 ppm2 9.320 CV 1 OR { 1191} ( segid " " and resid 1629 and name HD1%) (( segid " " and resid 1630 and name HN )) ASSI { 1193} ( segid " " and resid 1644 and name HD1%) (( segid " " and resid 1644 and name HN )) 3.800 1.800 1.800 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.17869E-02 ppm1 0.796 ppm2 8.545 CV 1 ASSI { 1194} ( segid " " and resid 1532 and name HD2%) ( segid " " and resid 1612 and name HZ ) 4.100 1.100 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.15717E-02 ppm1 0.052 ppm2 6.679 CV 1 ASSI { 1195} ( segid " " and resid 1588 and name HD2%) ( segid " " and resid 1527 and name HE% ) 4.500 1.600 1.500 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.12658E-02 ppm1 0.489 ppm2 7.014 CV 1 ASSI { 1197} ( segid " " and resid 1644 and name HD1%) (( segid " " and resid 1644 and name HA )) 4.400 2.400 1.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 0.800 ppm2 4.232 CV 1 ASSI { 1198} ( segid " " and resid 1644 and name HD1%) (( segid " " and resid 1644 and name HG )) 2.800 0.500 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.68179E-02 ppm1 0.801 ppm2 1.615 CV 1 ASSI { 1199} ( segid " " and resid 1644 and name HD1%) (( segid " " and resid 1644 and name HB1 )) 2.700 0.900 0.900 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.46821E-02 ppm1 0.800 ppm2 1.534 CV 1 ASSI { 1200} ( segid " " and resid 1526 and name HD1%) (( segid " " and resid 1526 and name HB1 )) 2.800 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.81562E-02 ppm1 0.747 ppm2 1.538 CV 1 ASSI { 1201} ( segid " " and resid 1604 and name HD2%) (( segid " " and resid 1604 and name HB1 )) 3.000 0.600 0.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.12663E-01 ppm1 0.888 ppm2 1.774 CV 1 ASSI { 1202} ( segid " " and resid 1644 and name HD1%) ( segid " " and resid 1532 and name HD1%) 3.000 0.600 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.80992E-02 ppm1 0.800 ppm2 0.022 CV 1 ASSI { 1009} ( segid " " and resid 1635 and name HG2%) ( segid " " and resid 1609 and name HG2%) 3.300 0.500 1.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.11416E-01 ppm1 0.331 ppm2 0.727 CV 1 ASSI { 1204} ( segid " " and resid 1636 and name HD2%) ( segid " " and resid 1636 and name HD1%) 2.800 0.600 0.600 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.13178E-01 ppm1 0.973 ppm2 0.748 CV 1 ASSI { 1205} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1610 and name HD1%) 4.000 1.500 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.37231E-02 ppm1 1.134 ppm2 0.194 CV 1 ASSI { 1206} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1590 and name HG )) 2.800 0.700 0.700 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.64831E-02 ppm1 1.131 ppm2 1.569 CV 1 ASSI { 1207} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1590 and name HB1 )) 2.800 0.700 0.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.71642E-02 ppm1 1.134 ppm2 1.434 CV 1 OR { 1207} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1590 and name HB2 )) ASSI { 1208} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1553 and name HN )) 4.500 1.600 1.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.19434E-02 ppm1 1.129 ppm2 8.211 CV 1 ASSI { 1209} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1592 and name HE% ) 3.300 1.100 1.100 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.23640E-02 ppm1 1.131 ppm2 7.125 CV 1 ASSI { 1210} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1612 and name HZ )) 3.900 1.900 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.27326E-02 ppm1 1.133 ppm2 6.687 CV 1 ASSI { 1211} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1612 and name HE1 ) 3.700 1.700 1.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.22899E-02 ppm1 1.136 ppm2 6.373 CV 1 OR { 1211} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1612 and name HE2 ) ASSI { 1213} (( segid " " and resid 1623 and name HG1 )) (( segid " " and resid 1623 and name HA )) 2.900 0.900 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 1.670 ppm2 3.969 CV 1 ASSI { 1216} (( segid " " and resid 1576 and name HG2 )) (( segid " " and resid 1576 and name HE2 )) 3.400 1.500 1.500 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.15588E-02 ppm1 1.396 ppm2 3.142 CV 1 ASSI { 1217} (( segid " " and resid 1623 and name HG1 )) (( segid " " and resid 1623 and name HD1 )) 2.600 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 1.670 ppm2 3.107 CV 1 OR { 1217} (( segid " " and resid 1623 and name HG1 )) (( segid " " and resid 1623 and name HD2 )) ASSI { 1223} (( segid " " and resid 1576 and name HG1 )) (( segid " " and resid 1576 and name HG2 )) 1.700 0.400 0.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.54219E-02 ppm1 1.847 ppm2 1.414 CV 1 ASSI { 1224} (( segid " " and resid 1576 and name HG2 )) (( segid " " and resid 1576 and name HG1 )) 1.700 0.400 0.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.14945E-01 ppm1 1.412 ppm2 1.833 CV 1 OR { 1224} (( segid " " and resid 1576 and name HG2 )) (( segid " " and resid 1576 and name HD1 )) OR { 1224} (( segid " " and resid 1576 and name HG2 )) (( segid " " and resid 1576 and name HD2 )) OR { 1224} (( segid " " and resid 1576 and name HG2 )) (( segid " " and resid 1576 and name HB2 )) ASSI { 1227} ( segid " " and resid 1581 and name HD1%) ( segid " " and resid 1588 and name HD2%) 4.500 1.000 1.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 0.618 ppm2 0.190 CV 1 ASSI { 1232} ( segid " " and resid 1581 and name HD1%) (( segid " " and resid 1588 and name HA )) 3.400 1.500 1.500 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.24229E-02 ppm1 0.619 ppm2 5.447 CV 1 ASSI { 1233} ( segid " " and resid 1581 and name HD1%) (( segid " " and resid 1582 and name HN )) 4.000 2.200 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.16214E-02 ppm1 0.617 ppm2 8.759 CV 1 OR { 1233} ( segid " " and resid 1581 and name HD1%) (( segid " " and resid 1518 and name HN )) ASSI { 1234} (( segid " " and resid 1581 and name HG )) ( segid " " and resid 1581 and name HD1%) 2.500 0.800 0.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.26458E-02 ppm1 1.441 ppm2 0.632 CV 1 ASSI { 1238} ( segid " " and resid 1626 and name HD2%) (( segid " " and resid 1626 and name HB1 )) 2.700 0.900 0.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.45734E-02 ppm1 0.693 ppm2 1.985 CV 1 ASSI { 1239} ( segid " " and resid 1626 and name HD2%) ( segid " " and resid 1626 and name HD1%) 2.800 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.10664E-01 ppm1 0.696 ppm2 0.177 CV 1 ASSI { 1242} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1590 and name HD1%) 2.800 0.600 0.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.16059E-01 ppm1 1.133 ppm2 1.022 CV 1 ASSI { 1244} ( segid " " and resid 1644 and name HD1%) (( segid " " and resid 1644 and name HB2 )) 2.800 0.700 0.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.47961E-02 ppm1 0.799 ppm2 1.403 CV 1 ASSI { 1246} ( segid " " and resid 1626 and name HD2%) (( segid " " and resid 1626 and name HG )) 2.800 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.92334E-02 ppm1 0.695 ppm2 1.077 CV 1 OR { 1246} ( segid " " and resid 1626 and name HD2%) (( segid " " and resid 1626 and name HB2 )) ASSI { 1249} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1552 and name HG2%) 3.800 0.800 1.500 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.82275E-02 ppm1 1.132 ppm2 0.797 CV 1 ASSI { 1251} (( segid " " and resid 1627 and name HG12)) (( segid " " and resid 1627 and name HN )) 2.800 0.700 0.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.24101E-02 ppm1 1.427 ppm2 9.269 CV 1 OR { 1251} (( segid " " and resid 1627 and name HG11)) (( segid " " and resid 1627 and name HN )) ASSI { 1252} (( segid " " and resid 1588 and name HG )) (( segid " " and resid 1588 and name HN )) 2.800 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.17542E-02 ppm1 1.385 ppm2 8.272 CV 1 ASSI { 1258} (( segid " " and resid 1529 and name HG )) ( segid " " and resid 1529 and name HD1%) 2.800 0.600 0.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.43323E-02 ppm1 0.996 ppm2 -0.301 CV 1 ASSI { 1260} ( segid " " and resid 1604 and name HD2%) ( segid " " and resid 1606 and name HD1 ) 4.000 1.500 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.35483E-02 ppm1 0.743 ppm2 7.106 CV 1 OR { 1260} ( segid " " and resid 1604 and name HD2%) ( segid " " and resid 1606 and name HD2 ) ASSI { 1261} ( segid " " and resid 1636 and name HD2%) (( segid " " and resid 1638 and name HZ )) 2.800 0.700 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.48377E-02 ppm1 0.743 ppm2 6.947 CV 1 ASSI { 1263} (( segid " " and resid 1529 and name HG )) ( segid " " and resid 1529 and name HD2%) 2.800 0.600 0.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.43903E-02 ppm1 0.993 ppm2 0.005 CV 1 ASSI { 1268} (( segid " " and resid 1529 and name HG )) (( segid " " and resid 1529 and name HB2 )) 2.800 0.800 1.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.24539E-02 ppm1 0.988 ppm2 1.320 CV 1 ASSI { 1269} ( segid " " and resid 1636 and name HD1%) (( segid " " and resid 1636 and name HG )) 2.800 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.59691E-02 ppm1 0.743 ppm2 1.581 CV 1 ASSI { 1270} ( segid " " and resid 1636 and name HD1%) (( segid " " and resid 1636 and name HB2 )) 2.800 0.600 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.52684E-02 ppm1 0.742 ppm2 1.233 CV 1 ASSI { 1272} ( segid " " and resid 1636 and name HD1%) (( segid " " and resid 1636 and name HB1 )) 2.800 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.46112E-02 ppm1 0.744 ppm2 1.897 CV 1 ASSI { 1273} ( segid " " and resid 1636 and name HD1%) ( segid " " and resid 1574 and name HG2%) 3.800 1.000 1.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.63267E-02 ppm1 0.742 ppm2 0.450 CV 1 ASSI { 1279} (( segid " " and resid 1582 and name HG2 )) (( segid " " and resid 1582 and name HD2 )) 2.800 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 1.655 ppm2 3.203 CV 1 OR { 1279} (( segid " " and resid 1582 and name HG1 )) (( segid " " and resid 1582 and name HD2 )) ASSI { 1280} (( segid " " and resid 1580 and name HG2 )) (( segid " " and resid 1580 and name HA )) 3.500 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 1.666 ppm2 4.775 CV 1 OR { 1280} (( segid " " and resid 1580 and name HG1 )) (( segid " " and resid 1580 and name HA )) ASSI { 1281} (( segid " " and resid 1644 and name HG )) (( segid " " and resid 1643 and name HD1 )) 2.800 1.000 1.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.24564E-02 ppm1 1.652 ppm2 3.885 CV 1 OR { 1281} (( segid " " and resid 1644 and name HG )) (( segid " " and resid 1643 and name HD2 )) ASSI { 1283} (( segid " " and resid 1627 and name HG12)) (( segid " " and resid 1639 and name HB1 )) 3.500 1.500 1.500 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.24150E-02 ppm1 1.429 ppm2 3.715 CV 1 OR { 1283} (( segid " " and resid 1627 and name HG12)) (( segid " " and resid 1639 and name HB2 )) OR { 1283} (( segid " " and resid 1627 and name HG11)) (( segid " " and resid 1639 and name HB1 )) OR { 1283} (( segid " " and resid 1627 and name HG11)) (( segid " " and resid 1639 and name HB2 )) ASSI { 1287} (( segid " " and resid 1626 and name HG )) ( segid " " and resid 1626 and name HD1%) 2.600 0.800 0.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.32029E-02 ppm1 1.081 ppm2 0.183 CV 1 ASSI { 1289} (( segid " " and resid 1526 and name HG )) (( segid " " and resid 1526 and name HB1 )) 2.900 1.100 1.100 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.28855E-02 ppm1 1.121 ppm2 1.532 CV 1 ASSI { 1292} (( segid " " and resid 1571 and name HB1 )) (( segid " " and resid 1571 and name HG2 )) 2.300 0.600 0.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.94111E-02 ppm1 1.836 ppm2 1.683 CV 1 OR { 1292} (( segid " " and resid 1571 and name HB2 )) (( segid " " and resid 1571 and name HG1 )) OR { 1292} (( segid " " and resid 1571 and name HB2 )) (( segid " " and resid 1571 and name HG2 )) OR { 1292} (( segid " " and resid 1571 and name HB1 )) (( segid " " and resid 1571 and name HG1 )) ASSI { 1295} (( segid " " and resid 1643 and name HG2 )) (( segid " " and resid 1643 and name HB1 )) 2.800 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.43494E-02 ppm1 2.037 ppm2 2.576 CV 1 ASSI { 1299} (( segid " " and resid 1648 and name HG1 )) (( segid " " and resid 1648 and name HB1 )) 2.100 0.500 0.500 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 2.022 ppm2 2.314 CV 1 ASSI { 1302} (( segid " " and resid 1571 and name HB2 )) (( segid " " and resid 1571 and name HD2 )) 2.800 1.000 1.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.31027E-02 ppm1 1.831 ppm2 3.259 CV 1 OR { 1302} (( segid " " and resid 1571 and name HB1 )) (( segid " " and resid 1571 and name HD1 )) OR { 1302} (( segid " " and resid 1571 and name HB1 )) (( segid " " and resid 1571 and name HD2 )) OR { 1302} (( segid " " and resid 1571 and name HB2 )) (( segid " " and resid 1571 and name HD1 )) ASSI { 1303} (( segid " " and resid 1648 and name HG1 )) (( segid " " and resid 1648 and name HD1 )) 2.200 0.600 0.600 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.47875E-02 ppm1 2.020 ppm2 3.370 CV 1 ASSI { 1304} (( segid " " and resid 1648 and name HG2 )) (( segid " " and resid 1648 and name HD1 )) 2.600 0.800 0.800 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.58772E-02 ppm1 1.947 ppm2 3.371 CV 1 ASSI { 1306} (( segid " " and resid 1648 and name HG2 )) (( segid " " and resid 1648 and name HD2 )) 2.200 0.600 0.600 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.53379E-02 ppm1 1.946 ppm2 3.268 CV 1 ASSI { 1312} (( segid " " and resid 1648 and name HG2 )) (( segid " " and resid 1648 and name HA )) 3.700 1.700 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.31379E-02 ppm1 1.941 ppm2 4.419 CV 1 ASSI { 1326} (( segid " " and resid 1620 and name HG1 )) (( segid " " and resid 1620 and name HD2 )) 2.700 0.900 0.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.58401E-02 ppm1 2.151 ppm2 3.725 CV 1 ASSI { 1329} (( segid " " and resid 1597 and name HG1 )) (( segid " " and resid 1597 and name HB2 )) 3.300 1.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.93128E-03 ppm1 2.180 ppm2 1.901 CV 1 ASSI { 1330} (( segid " " and resid 1610 and name HG11)) (( segid " " and resid 1610 and name HG12)) 1.600 0.300 0.600 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 1.170 ppm2 0.376 CV 1 ASSI { 1331} (( segid " " and resid 1610 and name HG11)) ( segid " " and resid 1610 and name HD1%) 2.200 0.600 0.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.60442E-02 ppm1 1.168 ppm2 0.200 CV 1 OR { 1331} (( segid " " and resid 1610 and name HG11)) ( segid " " and resid 1610 and name HG2%) ASSI { 1336} (( segid " " and resid 1572 and name HG12)) ( segid " " and resid 1572 and name HD1%) 2.200 0.600 0.600 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.76465E-02 ppm1 1.202 ppm2 0.872 CV 1 OR { 1336} (( segid " " and resid 1572 and name HG12)) ( segid " " and resid 1572 and name HG2%) ASSI { 1337} (( segid " " and resid 1572 and name HG11)) (( segid " " and resid 1572 and name HG12)) 2.200 0.400 0.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.64058E-02 ppm1 1.541 ppm2 1.202 CV 1 ASSI { 1339} (( segid " " and resid 1572 and name HG12)) (( segid " " and resid 1572 and name HG11)) 2.200 0.500 0.500 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.73512E-02 ppm1 1.198 ppm2 1.544 CV 1 OR { 1339} (( segid " " and resid 1572 and name HG12)) (( segid " " and resid 1572 and name HB )) ASSI { 1341} (( segid " " and resid 1572 and name HG11)) (( segid " " and resid 1572 and name HA )) 2.800 0.900 0.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.19578E-02 ppm1 1.540 ppm2 3.833 CV 1 ASSI { 1342} (( segid " " and resid 1572 and name HG11)) (( segid " " and resid 1570 and name HA )) 3.300 1.000 0.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.19578E-02 ppm1 1.540 ppm2 4.388 CV 1 ASSI { 1356} (( segid " " and resid 1601 and name HD1 )) (( segid " " and resid 1601 and name HA )) 3.000 1.100 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.60054E-02 ppm1 1.768 ppm2 4.438 CV 1 ASSI { 1361} (( segid " " and resid 1572 and name HG11)) (( segid " " and resid 1572 and name HN )) 2.800 0.800 0.7800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 1.561 ppm2 7.600 CV 1 ASSI { 1363} (( segid " " and resid 1632 and name HB2 )) (( segid " " and resid 1632 and name HA )) 2.400 0.700 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.49923E-02 ppm1 2.238 ppm2 4.229 CV 1 ASSI { 1368} (( segid " " and resid 1569 and name HB2 )) ( segid " " and resid 1570 and name HG2%) 4.500 2.500 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.20894E-02 ppm1 2.333 ppm2 1.294 CV 1 ASSI { 1371} (( segid " " and resid 1632 and name HB1 )) (( segid " " and resid 1632 and name HB2 )) 1.500 0.300 0.700 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.11907E-01 ppm1 2.387 ppm2 2.239 CV 1 ASSI { 1372} (( segid " " and resid 1555 and name HB1 )) (( segid " " and resid 1557 and name HG1 )) 3.500 1.600 1.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.23992E-02 ppm1 1.586 ppm2 2.259 CV 1 OR { 1372} (( segid " " and resid 1555 and name HB2 )) (( segid " " and resid 1557 and name HG1 )) ASSI { 1373} (( segid " " and resid 1555 and name HB1 )) (( segid " " and resid 1555 and name HG1 )) 2.800 1.000 1.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 1.588 ppm2 2.146 CV 1 OR { 1373} (( segid " " and resid 1555 and name HB2 )) (( segid " " and resid 1555 and name HG1 )) ASSI { 1374} (( segid " " and resid 1601 and name HD1 )) ( segid " " and resid 1604 and name HD1%) 4.000 1.000 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.39269E-02 ppm1 1.769 ppm2 0.889 CV 1 OR { 1374} (( segid " " and resid 1601 and name HD1 )) ( segid " " and resid 1604 and name HD2%) ASSI { 1375} (( segid " " and resid 1544 and name HD1 )) (( segid " " and resid 1544 and name HA )) 3.500 1.300 1.300 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.31851E-02 ppm1 1.735 ppm2 4.214 CV 1 OR { 1375} (( segid " " and resid 1544 and name HD2 )) (( segid " " and resid 1544 and name HA )) ASSI { 1383} (( segid " " and resid 1632 and name HB2 )) (( segid " " and resid 1601 and name HB2 )) 4.000 1.000 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.24784E-02 ppm1 2.253 ppm2 1.591 CV 1 ASSI { 1393} (( segid " " and resid 1574 and name HB )) (( segid " " and resid 1608 and name HB1 )) 4.100 2.100 1.900 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.16720E-02 ppm1 2.255 ppm2 3.825 CV 1 ASSI { 1395} (( segid " " and resid 1631 and name HD1 )) (( segid " " and resid 1631 and name HA )) 3.300 1.200 1.200 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 1.804 ppm2 3.965 CV 1 OR { 1395} (( segid " " and resid 1631 and name HD2 )) (( segid " " and resid 1631 and name HA )) ASSI { 1401} (( segid " " and resid 1607 and name HD2 )) (( segid " " and resid 1607 and name HG2 )) 2.800 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 1.606 ppm2 1.326 CV 1 ASSI { 1402} (( segid " " and resid 1607 and name HD1 )) (( segid " " and resid 1607 and name HG2 )) 2.400 0.700 0.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.35246E-02 ppm1 1.690 ppm2 1.319 CV 1 ASSI { 1403} (( segid " " and resid 1607 and name HD1 )) (( segid " " and resid 1607 and name HB2 )) 2.800 0.800 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.50999E-02 ppm1 1.703 ppm2 1.985 CV 1 OR { 1403} (( segid " " and resid 1607 and name HD1 )) (( segid " " and resid 1607 and name HB1 )) ASSI { 1404} (( segid " " and resid 1607 and name HD2 )) (( segid " " and resid 1607 and name HB2 )) 2.700 0.900 0.900 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.35234E-02 ppm1 1.605 ppm2 1.982 CV 1 OR { 1404} (( segid " " and resid 1607 and name HD2 )) (( segid " " and resid 1607 and name HB1 )) ASSI { 1408} (( segid " " and resid 1576 and name HD2 )) (( segid " " and resid 1576 and name HE1 )) 2.500 0.800 0.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.59463E-02 ppm1 1.810 ppm2 3.220 CV 1 OR { 1408} (( segid " " and resid 1576 and name HD1 )) (( segid " " and resid 1576 and name HE1 )) ASSI { 1411} (( segid " " and resid 1617 and name HB2 )) (( segid " " and resid 1617 and name HA )) 2.600 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.42938E-02 ppm1 2.007 ppm2 4.440 CV 1 ASSI { 1413} (( segid " " and resid 1617 and name HB1 )) (( segid " " and resid 1617 and name HN )) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.23680E-02 ppm1 2.086 ppm2 8.359 CV 1 ASSI { 1414} (( segid " " and resid 1617 and name HB2 )) (( segid " " and resid 1617 and name HN )) 3.000 1.100 1.100 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 2.004 ppm2 8.346 CV 1 ASSI { 1415} (( segid " " and resid 1518 and name HN )) ( segid " " and resid 1518 and name HG2%) 3.300 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 8.757 ppm2 1.319 CV 1 ASSI { 1417} (( segid " " and resid 1518 and name HN )) ( segid " " and resid 1581 and name HD2%) 3.300 1.300 1.300 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.37890E-02 ppm1 8.755 ppm2 0.661 CV 1 ASSI { 1424} (( segid " " and resid 1550 and name HG1 )) (( segid " " and resid 1550 and name HB1 )) 2.800 1.000 1.000 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.45723E-02 ppm1 2.244 ppm2 1.890 CV 1 ASSI { 1427} (( segid " " and resid 1550 and name HG2 )) ( segid " " and resid 1565 and name HB% ) 3.300 1.400 1.400 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.16867E-02 ppm1 2.128 ppm2 1.234 CV 1 ASSI { 1428} (( segid " " and resid 1550 and name HG2 )) ( segid " " and resid 1550 and name HE% ) 3.500 1.100 1.100 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.31657E-02 ppm1 2.132 ppm2 0.784 CV 1 ASSI { 1429} (( segid " " and resid 1617 and name HB1 )) (( segid " " and resid 1617 and name HG2 )) 2.300 0.700 0.700 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.13521E-01 ppm1 2.086 ppm2 2.315 CV 1 OR { 1429} (( segid " " and resid 1617 and name HB1 )) (( segid " " and resid 1617 and name HG1 )) ASSI { 1430} (( segid " " and resid 1617 and name HB2 )) (( segid " " and resid 1617 and name HG1 )) 2.300 0.700 0.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.14763E-01 ppm1 2.010 ppm2 2.313 CV 1 OR { 1430} (( segid " " and resid 1617 and name HB2 )) (( segid " " and resid 1617 and name HG2 )) ASSI { 1433} (( segid " " and resid 1647 and name HB2 )) (( segid " " and resid 1647 and name HG1 )) 3.000 1.100 1.100 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.33812E-02 ppm1 1.592 ppm2 2.067 CV 1 OR { 1433} (( segid " " and resid 1647 and name HB1 )) (( segid " " and resid 1647 and name HG1 )) ASSI { 1438} (( segid " " and resid 1649 and name HB2 )) (( segid " " and resid 1649 and name HN )) 2.700 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.41955E-02 ppm1 1.951 ppm2 8.163 CV 1 ASSI { 1440} (( segid " " and resid 1649 and name HB2 )) (( segid " " and resid 1649 and name HG2 )) 2.300 0.700 0.700 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.14849E-01 ppm1 1.950 ppm2 2.348 CV 1 OR { 1440} (( segid " " and resid 1649 and name HB2 )) (( segid " " and resid 1649 and name HG1 )) ASSI { 1441} (( segid " " and resid 1649 and name HB1 )) (( segid " " and resid 1649 and name HG2 )) 2.200 0.600 0.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.18533E-01 ppm1 2.105 ppm2 2.350 CV 1 OR { 1441} (( segid " " and resid 1649 and name HB1 )) (( segid " " and resid 1649 and name HG1 )) ASSI { 1442} (( segid " " and resid 1550 and name HG1 )) (( segid " " and resid 1550 and name HG2 )) 1.600 0.300 0.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.11763E-01 ppm1 2.239 ppm2 2.145 CV 1 ASSI { 1445} (( segid " " and resid 1648 and name HB2 )) (( segid " " and resid 1648 and name HD2 )) 3.000 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.34574E-02 ppm1 1.951 ppm2 3.272 CV 1 ASSI { 1446} (( segid " " and resid 1648 and name HB1 )) (( segid " " and resid 1648 and name HD1 )) 3.800 1.800 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.28917E-02 ppm1 2.316 ppm2 3.373 CV 1 ASSI { 1448} (( segid " " and resid 1599 and name HB2 )) (( segid " " and resid 1599 and name HD1 )) 4.000 2.000 2.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.23661E-02 ppm1 2.059 ppm2 4.160 CV 1 ASSI { 1450} (( segid " " and resid 1648 and name HB2 )) (( segid " " and resid 1648 and name HA )) 2.700 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.64289E-02 ppm1 1.950 ppm2 4.423 CV 1 ASSI { 1451} (( segid " " and resid 1648 and name HB1 )) (( segid " " and resid 1648 and name HA )) 2.800 0.500 1.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.10327E-01 ppm1 2.316 ppm2 4.419 CV 1 ASSI { 1455} (( segid " " and resid 1643 and name HB2 )) (( segid " " and resid 1643 and name HB1 )) 2.200 0.400 0.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.11096E-01 ppm1 2.056 ppm2 2.573 CV 1 ASSI { 1456} (( segid " " and resid 1599 and name HB2 )) (( segid " " and resid 1599 and name HB1 )) 2.500 0.600 0.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.22891E-01 ppm1 2.062 ppm2 2.393 CV 1 ASSI { 1457} (( segid " " and resid 1648 and name HB1 )) (( segid " " and resid 1648 and name HB2 )) 2.200 0.400 0.700 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.35945E-01 ppm1 2.314 ppm2 1.953 CV 1 OR { 1457} (( segid " " and resid 1648 and name HB1 )) (( segid " " and resid 1648 and name HG2 )) ASSI { 1461} (( segid " " and resid 1544 and name HB2 )) (( segid " " and resid 1544 and name HG1 )) 2.400 0.700 0.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.63459E-02 ppm1 1.897 ppm2 1.506 CV 1 OR { 1461} (( segid " " and resid 1544 and name HB1 )) (( segid " " and resid 1544 and name HG2 )) OR { 1461} (( segid " " and resid 1544 and name HB1 )) (( segid " " and resid 1544 and name HG1 )) OR { 1461} (( segid " " and resid 1544 and name HB2 )) (( segid " " and resid 1544 and name HG2 )) ASSI { 1463} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HD1 )) 3.200 1.500 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.60175E-02 ppm1 1.923 ppm2 1.676 CV 1 OR { 1463} (( segid " " and resid 1631 and name HB1 )) (( segid " " and resid 1631 and name HD1 )) OR { 1463} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HD1 )) OR { 1463} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HD2 )) ASSI { 1467} (( segid " " and resid 1620 and name HB2 )) (( segid " " and resid 1620 and name HD1 )) 3.700 1.800 1.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.41663E-02 ppm1 2.111 ppm2 3.832 CV 1 ASSI { 1468} (( segid " " and resid 1620 and name HB2 )) (( segid " " and resid 1620 and name HD2 )) 4.100 2.100 1.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.26288E-02 ppm1 2.110 ppm2 3.720 CV 1 ASSI { 1471} (( segid " " and resid 1620 and name HB2 )) (( segid " " and resid 1620 and name HA )) 3.000 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.36227E-02 ppm1 2.111 ppm2 4.622 CV 1 ASSI { 1475} (( segid " " and resid 1643 and name HB2 )) (( segid " " and resid 1618 and name HN )) 4.000 1.000 2.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 2.061 ppm2 8.360 CV 1 ASSI { 1476} (( segid " " and resid 1620 and name HB2 )) (( segid " " and resid 1621 and name HN )) 3.800 1.800 1.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 2.123 ppm2 8.123 CV 1 ASSI { 1484} (( segid " " and resid 1557 and name HG2 )) (( segid " " and resid 1557 and name HG1 )) 2.200 0.500 0.500 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.47248E-02 ppm1 1.794 ppm2 2.282 CV 1 ASSI { 1485} (( segid " " and resid 1601 and name HB2 )) (( segid " " and resid 1601 and name HG1 )) 2.800 0.700 0.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.76767E-02 ppm1 1.727 ppm2 1.454 CV 1 ASSI { 1487} (( segid " " and resid 1557 and name HG1 )) (( segid " " and resid 1557 and name HG2 )) 2.000 0.500 0.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.51879E-02 ppm1 2.281 ppm2 1.795 CV 1 OR { 1487} (( segid " " and resid 1557 and name HG1 )) (( segid " " and resid 1557 and name HB2 )) ASSI { 1489} (( segid " " and resid 1509 and name HB2 )) (( segid " " and resid 1509 and name HG1 )) 2.500 0.800 0.800 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.54009E-02 ppm1 1.936 ppm2 1.548 CV 1 OR { 1489} (( segid " " and resid 1509 and name HB1 )) (( segid " " and resid 1509 and name HG2 )) OR { 1489} (( segid " " and resid 1509 and name HB1 )) (( segid " " and resid 1509 and name HG1 )) OR { 1489} (( segid " " and resid 1509 and name HB2 )) (( segid " " and resid 1509 and name HG2 )) ASSI { 1491} (( segid " " and resid 1631 and name HB1 )) (( segid " " and resid 1631 and name HG2 )) 2.500 0.800 0.800 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.51166E-02 ppm1 1.923 ppm2 1.508 CV 1 OR { 1491} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HG2 )) OR { 1491} (( segid " " and resid 1631 and name HB1 )) (( segid " " and resid 1631 and name HG1 )) OR { 1491} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HG1 )) ASSI { 1492} (( segid " " and resid 1601 and name HB2 )) ( segid " " and resid 1604 and name HD2%) 3.500 1.100 1.100 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.36879E-02 ppm1 1.722 ppm2 0.887 CV 1 OR { 1492} (( segid " " and resid 1601 and name HB2 )) ( segid " " and resid 1604 and name HD1%) ASSI { 1495} (( segid " " and resid 1587 and name HB )) (( segid " " and resid 1588 and name HN )) 3.800 1.000 1.500 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.24897E-02 ppm1 2.145 ppm2 8.272 CV 1 ASSI { 1504} (( segid " " and resid 1587 and name HB )) ( segid " " and resid 1587 and name HG1%) 2.200 0.600 0.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.12099E-01 ppm1 2.138 ppm2 0.913 CV 1 OR { 1504} (( segid " " and resid 1587 and name HB )) ( segid " " and resid 1587 and name HG2%) ASSI { 1505} (( segid " " and resid 1517 and name HB1 )) (( segid " " and resid 1517 and name HG2 )) 2.600 0.800 0.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.52260E-02 ppm1 1.955 ppm2 2.145 CV 1 OR { 1505} (( segid " " and resid 1517 and name HB2 )) (( segid " " and resid 1517 and name HG2 )) ASSI { 1506} (( segid " " and resid 1591 and name HB )) ( segid " " and resid 1591 and name HG2%) 2.400 0.700 0.700 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.82916E-02 ppm1 2.079 ppm2 0.986 CV 1 OR { 1506} (( segid " " and resid 1591 and name HB )) ( segid " " and resid 1591 and name HG1%) ASSI { 1507} (( segid " " and resid 1591 and name HB )) ( segid " " and resid 1609 and name HG2%) 4.000 1.000 2.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.86998E-02 ppm1 2.080 ppm2 0.879 CV 1 ASSI { 1511} (( segid " " and resid 1548 and name HB )) ( segid " " and resid 1540 and name HB% ) 3.500 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.28044E-02 ppm1 1.966 ppm2 1.299 CV 1 ASSI { 1512} (( segid " " and resid 1555 and name HG1 )) (( segid " " and resid 1555 and name HG2 )) 1.800 0.400 0.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.55598E-02 ppm1 2.137 ppm2 1.856 CV 1 ASSI { 1514} (( segid " " and resid 1555 and name HG2 )) (( segid " " and resid 1557 and name HG1 )) 4.200 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.26743E-02 ppm1 1.855 ppm2 2.254 CV 1 ASSI { 1516} (( segid " " and resid 1632 and name HG1 )) (( segid " " and resid 1632 and name HB2 )) 2.100 0.500 0.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.11396E-01 ppm1 2.520 ppm2 2.244 CV 1 OR { 1516} (( segid " " and resid 1632 and name HG2 )) (( segid " " and resid 1632 and name HB2 )) ASSI { 1521} (( segid " " and resid 1593 and name HB2 )) (( segid " " and resid 1593 and name HA )) 3.000 1.100 1.100 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 1.792 ppm2 5.094 CV 1 ASSI { 1522} (( segid " " and resid 1625 and name HB1 )) (( segid " " and resid 1625 and name HA )) 2.900 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.19570E-02 ppm1 2.039 ppm2 4.881 CV 1 OR { 1522} (( segid " " and resid 1625 and name HB2 )) (( segid " " and resid 1625 and name HA )) ASSI { 1527} (( segid " " and resid 1617 and name HG2 )) (( segid " " and resid 1617 and name HA )) 2.700 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.72144E-02 ppm1 2.314 ppm2 4.435 CV 1 OR { 1527} (( segid " " and resid 1617 and name HG1 )) (( segid " " and resid 1617 and name HA )) ASSI { 1528} (( segid " " and resid 1617 and name HG1 )) (( segid " " and resid 1617 and name HN )) 3.500 1.500 1.500 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.42881E-02 ppm1 2.314 ppm2 8.356 CV 1 OR { 1528} (( segid " " and resid 1617 and name HG2 )) (( segid " " and resid 1617 and name HN )) ASSI { 1530} (( segid " " and resid 1649 and name HG1 )) (( segid " " and resid 1649 and name HA )) 3.200 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.41830E-02 ppm1 2.351 ppm2 4.165 CV 1 OR { 1530} (( segid " " and resid 1649 and name HG2 )) (( segid " " and resid 1649 and name HA )) ASSI { 1536} (( segid " " and resid 1649 and name HB2 )) (( segid " " and resid 1649 and name HG2 )) 2.500 2.500 3.500 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.92907E-02 ppm1 1.953 ppm2 2.351 CV 1 ASSI { 1539} (( segid " " and resid 1607 and name HB1 )) (( segid " " and resid 1607 and name HG1 )) 2.500 0.800 0.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.43508E-02 ppm1 1.984 ppm2 1.593 CV 1 OR { 1539} (( segid " " and resid 1607 and name HB2 )) (( segid " " and resid 1607 and name HD2 )) OR { 1539} (( segid " " and resid 1607 and name HB2 )) (( segid " " and resid 1607 and name HG1 )) OR { 1539} (( segid " " and resid 1607 and name HB1 )) (( segid " " and resid 1607 and name HD2 )) ASSI { 1546} (( segid " " and resid 1547 and name HB )) (( segid " " and resid 1547 and name HA )) 2.600 0.800 0.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.16569E-02 ppm1 1.829 ppm2 4.988 CV 1 ASSI { 1550} (( segid " " and resid 1550 and name HB2 )) ( segid " " and resid 1565 and name HB% ) 3.700 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.17132E-02 ppm1 1.831 ppm2 1.228 CV 1 ASSI { 1553} (( segid " " and resid 1550 and name HB2 )) (( segid " " and resid 1550 and name HG1 )) 2.900 1.100 1.100 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 1.829 ppm2 2.254 CV 1 ASSI { 1555} (( segid " " and resid 1550 and name HB2 )) (( segid " " and resid 1550 and name HG2 )) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.25653E-02 ppm1 1.817 ppm2 2.129 CV 1 ASSI { 1556} (( segid " " and resid 1550 and name HB1 )) (( segid " " and resid 1550 and name HG2 )) 2.800 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.20404E-02 ppm1 1.907 ppm2 2.129 CV 1 ASSI { 1558} (( segid " " and resid 1550 and name HB2 )) (( segid " " and resid 1550 and name HA )) 2.800 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 1.836 ppm2 5.772 CV 1 ASSI { 1560} (( segid " " and resid 1622 and name HB2 )) (( segid " " and resid 1622 and name HD22)) 3.800 1.800 1.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.21767E-02 ppm1 3.175 ppm2 7.992 CV 1 ASSI { 1561} (( segid " " and resid 1622 and name HB1 )) (( segid " " and resid 1622 and name HD22)) 3.500 1.800 1.000 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.20739E-02 ppm1 3.304 ppm2 7.996 CV 1 ASSI { 1563} (( segid " " and resid 1622 and name HB2 )) (( segid " " and resid 1622 and name HA )) 3.000 1.100 1.100 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 3.163 ppm2 5.140 CV 1 ASSI { 1564} (( segid " " and resid 1622 and name HB1 )) (( segid " " and resid 1622 and name HA )) 3.100 1.200 1.200 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.15521E-02 ppm1 3.310 ppm2 5.128 CV 1 ASSI { 1566} (( segid " " and resid 1622 and name HB1 )) (( segid " " and resid 1622 and name HB2 )) 1.800 0.400 0.400 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.73964E-02 ppm1 3.306 ppm2 3.177 CV 1 ASSI { 1567} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1647 and name HB2 )) 3.900 1.900 1.900 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.24156E-02 ppm1 3.372 ppm2 1.632 CV 1 OR { 1567} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1647 and name HB1 )) ASSI { 1571} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1648 and name HB1 )) 3.800 1.800 1.800 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 3.264 ppm2 2.320 CV 1 ASSI { 1572} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1648 and name HG2 )) 2.600 0.800 0.800 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.85951E-02 ppm1 3.370 ppm2 1.954 CV 1 OR { 1572} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1648 and name HB2 )) ASSI { 1573} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1648 and name HG2 )) 2.100 0.600 0.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.91917E-02 ppm1 3.269 ppm2 1.954 CV 1 OR { 1573} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1648 and name HB2 )) ASSI { 1576} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1648 and name HA )) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.16200E-02 ppm1 3.268 ppm2 4.421 CV 1 ASSI { 1578} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1616 and name HD2 )) 4.000 1.100 1.100 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.21398E-02 ppm1 3.242 ppm2 3.907 CV 1 OR { 1578} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1616 and name HD1 )) ASSI { 1580} (( segid " " and resid 1594 and name HB2 )) (( segid " " and resid 1576 and name HB1 )) 3.500 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.26524E-02 ppm1 3.021 ppm2 1.814 CV 1 OR { 1580} (( segid " " and resid 1594 and name HB2 )) (( segid " " and resid 1576 and name HB2 )) ASSI { 1583} (( segid " " and resid 1614 and name HB2 )) (( segid " " and resid 1614 and name HB1 )) 2.100 0.600 0.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.32094E-02 ppm1 2.858 ppm2 3.123 CV 1 ASSI { 1586} (( segid " " and resid 1614 and name HB2 )) (( segid " " and resid 1613 and name HA )) 4.300 2.300 1.700 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.16482E-02 ppm1 2.863 ppm2 4.446 CV 1 ASSI { 1591} (( segid " " and resid 1558 and name HB1 )) (( segid " " and resid 1558 and name HB2 )) 2.100 0.600 0.600 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.24811E-02 ppm1 2.199 ppm2 1.887 CV 1 ASSI { 1596} (( segid " " and resid 1559 and name HB2 )) (( segid " " and resid 1559 and name HN )) 3.000 1.100 1.100 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 2.673 ppm2 7.641 CV 1 ASSI { 1603} (( segid " " and resid 1612 and name HB2 )) ( segid " " and resid 1587 and name HG2%) 4.200 2.100 1.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.14727E-02 ppm1 2.925 ppm2 1.331 CV 1 ASSI { 1604} (( segid " " and resid 1585 and name HB1 )) (( segid " " and resid 1585 and name HB2 )) 2.200 0.400 0.600 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.28153E-01 ppm1 2.862 ppm2 2.553 CV 1 ASSI { 1608} (( segid " " and resid 1585 and name HB2 )) (( segid " " and resid 1585 and name HN )) 3.400 1.400 1.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.20578E-02 ppm1 2.549 ppm2 9.031 CV 1 ASSI { 1609} (( segid " " and resid 1511 and name HB2 )) (( segid " " and resid 1511 and name HD21)) 3.100 1.200 1.200 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 2.903 ppm2 6.991 CV 1 OR { 1609} (( segid " " and resid 1511 and name HB1 )) (( segid " " and resid 1511 and name HD21)) ASSI { 1610} (( segid " " and resid 1549 and name HB1 )) ( segid " " and resid 1549 and name HD% ) 2.900 1.000 1.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.19923E-02 ppm1 3.138 ppm2 7.124 CV 1 ASSI { 1611} (( segid " " and resid 1549 and name HB2 )) ( segid " " and resid 1549 and name HD% ) 2.800 1.100 1.100 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.16198E-02 ppm1 2.785 ppm2 7.122 CV 1 ASSI { 1614} (( segid " " and resid 1542 and name HB2 )) (( segid " " and resid 1542 and name HA )) 2.800 0.900 0.900 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.19718E-02 ppm1 2.699 ppm2 4.876 CV 1 ASSI { 1616} (( segid " " and resid 1511 and name HB1 )) (( segid " " and resid 1511 and name HA )) 3.100 1.200 1.200 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.20391E-02 ppm1 2.902 ppm2 4.949 CV 1 OR { 1616} (( segid " " and resid 1511 and name HB2 )) (( segid " " and resid 1511 and name HA )) ASSI { 1617} (( segid " " and resid 1542 and name HB1 )) (( segid " " and resid 1542 and name HA )) 3.000 1.100 1.100 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 3.034 ppm2 4.885 CV 1 ASSI { 1618} (( segid " " and resid 1542 and name HB2 )) (( segid " " and resid 1542 and name HB1 )) 2.000 0.300 0.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.72575E-02 ppm1 2.698 ppm2 3.034 CV 1 ASSI { 1620} (( segid " " and resid 1542 and name HB1 )) ( segid " " and resid 1626 and name HD2%) 4.000 2.200 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.18565E-02 ppm1 3.022 ppm2 0.700 CV 1 ASSI { 1623} (( segid " " and resid 1637 and name HB2 )) ( segid " " and resid 1637 and name HD% ) 2.800 1.000 1.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.20654E-02 ppm1 2.915 ppm2 7.205 CV 1 OR { 1623} (( segid " " and resid 1637 and name HB1 )) ( segid " " and resid 1637 and name HD% ) OR { 1623} (( segid " " and resid 1637 and name HB2 )) (( segid " " and resid 1637 and name HZ )) ASSI { 1627} (( segid " " and resid 1583 and name HB1 )) ( segid " " and resid 1583 and name HD% ) 3.100 1.200 1.200 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 3.148 ppm2 6.889 CV 1 OR { 1627} (( segid " " and resid 1583 and name HB1 )) ( segid " " and resid 1583 and name HE% ) ASSI { 1628} (( segid " " and resid 1583 and name HB2 )) ( segid " " and resid 1583 and name HD% ) 2.900 1.000 1.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.26913E-02 ppm1 2.644 ppm2 6.876 CV 1 OR { 1628} (( segid " " and resid 1583 and name HB2 )) ( segid " " and resid 1583 and name HE% ) ASSI { 1633} (( segid " " and resid 1634 and name HB1 )) (( segid " " and resid 1634 and name HA )) 3.000 1.100 1.100 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 3.105 ppm2 3.711 CV 1 ASSI { 1635} (( segid " " and resid 1553 and name HB2 )) (( segid " " and resid 1553 and name HB1 )) 2.000 0.500 0.500 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.47305E-02 ppm1 3.241 ppm2 4.115 CV 1 ASSI { 1637} (( segid " " and resid 1553 and name HB2 )) (( segid " " and resid 1553 and name HA )) 2.900 1.100 1.100 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.14779E-02 ppm1 3.244 ppm2 4.566 CV 1 ASSI { 1638} (( segid " " and resid 1553 and name HB1 )) (( segid " " and resid 1553 and name HA )) 3.400 1.500 1.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 4.103 ppm2 4.550 CV 1 ASSI { 1639} (( segid " " and resid 1528 and name HB2 )) (( segid " " and resid 1528 and name HB1 )) 1.900 0.400 0.400 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.67495E-02 ppm1 2.333 ppm2 2.921 CV 1 ASSI { 1640} (( segid " " and resid 1598 and name HB2 )) (( segid " " and resid 1598 and name HB1 )) 1.900 0.400 0.400 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.45474E-02 ppm1 2.244 ppm2 2.769 CV 1 ASSI { 1645} (( segid " " and resid 1598 and name HB1 )) (( segid " " and resid 1598 and name HN )) 3.200 1.300 1.300 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.17813E-02 ppm1 2.779 ppm2 8.414 CV 1 ASSI { 1652} (( segid " " and resid 1576 and name HE1 )) (( segid " " and resid 1576 and name HD2 )) 2.800 0.700 0.700 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.86033E-02 ppm1 3.221 ppm2 1.821 CV 1 OR { 1652} (( segid " " and resid 1576 and name HE1 )) (( segid " " and resid 1576 and name HD1 )) OR { 1652} (( segid " " and resid 1576 and name HE1 )) (( segid " " and resid 1576 and name HG1 )) OR { 1652} (( segid " " and resid 1576 and name HE1 )) (( segid " " and resid 1576 and name HB2 )) ASSI { 1653} (( segid " " and resid 1526 and name HB2 )) (( segid " " and resid 1526 and name HB1 )) 2.800 0.800 0.500 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.51255E-02 ppm1 1.201 ppm2 1.537 CV 1 ASSI { 1658} (( segid " " and resid 1535 and name HD1 )) (( segid " " and resid 1535 and name HB1 )) 2.800 0.900 0.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.53738E-02 ppm1 3.371 ppm2 1.804 CV 1 OR { 1658} (( segid " " and resid 1535 and name HD1 )) (( segid " " and resid 1535 and name HB2 )) ASSI { 1659} (( segid " " and resid 1535 and name HD2 )) (( segid " " and resid 1535 and name HB2 )) 2.500 0.800 0.800 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.74089E-02 ppm1 3.227 ppm2 1.797 CV 1 OR { 1659} (( segid " " and resid 1535 and name HD2 )) (( segid " " and resid 1535 and name HB1 )) ASSI { 1662} (( segid " " and resid 1535 and name HD2 )) (( segid " " and resid 1535 and name HE )) 2.800 1.000 1.000 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.31687E-02 ppm1 3.229 ppm2 7.890 CV 1 ASSI { 1663} (( segid " " and resid 1535 and name HD1 )) (( segid " " and resid 1535 and name HE )) 2.900 1.100 1.100 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.21876E-02 ppm1 3.365 ppm2 7.879 CV 1 ASSI { 1668} (( segid " " and resid 1601 and name HE1 )) (( segid " " and resid 1601 and name HG1 )) 3.800 1.900 1.200 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.36800E-03 ppm1 3.078 ppm2 1.445 CV 1 ASSI { 1669} (( segid " " and resid 1588 and name HB1 )) (( segid " " and resid 1588 and name HB2 )) 1.800 0.400 0.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.36063E-02 ppm1 1.767 ppm2 1.364 CV 1 OR { 1669} (( segid " " and resid 1588 and name HB1 )) (( segid " " and resid 1588 and name HG )) ASSI { 1672} (( segid " " and resid 1604 and name HB2 )) (( segid " " and resid 1604 and name HB1 )) 1.800 0.400 0.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 1.492 ppm2 1.797 CV 1 ASSI { 1673} (( segid " " and resid 1604 and name HB2 )) ( segid " " and resid 1604 and name HD1%) 2.500 0.800 0.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.71303E-02 ppm1 1.484 ppm2 0.893 CV 1 OR { 1673} (( segid " " and resid 1604 and name HB2 )) ( segid " " and resid 1604 and name HD2%) ASSI { 1674} (( segid " " and resid 1604 and name HB1 )) ( segid " " and resid 1604 and name HD2%) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.51512E-02 ppm1 1.791 ppm2 0.895 CV 1 OR { 1674} (( segid " " and resid 1604 and name HB1 )) ( segid " " and resid 1604 and name HD1%) ASSI { 1675} (( segid " " and resid 1604 and name HB1 )) (( segid " " and resid 1604 and name HG )) 2.600 0.800 0.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.42076E-02 ppm1 1.795 ppm2 1.559 CV 1 ASSI { 1676} (( segid " " and resid 1604 and name HB1 )) (( segid " " and resid 1604 and name HB2 )) 1.900 0.400 0.400 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.52338E-02 ppm1 1.788 ppm2 1.490 CV 1 OR { 1676} (( segid " " and resid 1604 and name HB1 )) (( segid " " and resid 1604 and name HG )) ASSI { 1678} (( segid " " and resid 1580 and name HD1 )) (( segid " " and resid 1580 and name HG1 )) 2.200 0.600 0.600 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.90699E-02 ppm1 3.299 ppm2 1.672 CV 1 OR { 1678} (( segid " " and resid 1580 and name HD1 )) (( segid " " and resid 1580 and name HG2 )) OR { 1678} (( segid " " and resid 1580 and name HD2 )) (( segid " " and resid 1580 and name HG1 )) OR { 1678} (( segid " " and resid 1580 and name HD2 )) (( segid " " and resid 1580 and name HG2 )) ASSI { 1679} (( segid " " and resid 1528 and name HB1 )) (( segid " " and resid 1528 and name HA )) 2.800 1.000 1.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 2.916 ppm2 5.093 CV 1 ASSI { 1680} (( segid " " and resid 1571 and name HD1 )) (( segid " " and resid 1571 and name HA )) 4.000 2.000 2.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.21320E-02 ppm1 3.235 ppm2 3.835 CV 1 OR { 1680} (( segid " " and resid 1571 and name HD2 )) (( segid " " and resid 1571 and name HA )) ASSI { 1684} (( segid " " and resid 1582 and name HD2 )) ( segid " " and resid 1584 and name HG1%) 4.000 2.200 1.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.25680E-02 ppm1 3.271 ppm2 0.813 CV 1 OR { 1684} (( segid " " and resid 1582 and name HD1 )) ( segid " " and resid 1584 and name HG1%) OR { 1684} (( segid " " and resid 1582 and name HD2 )) ( segid " " and resid 1584 and name HG2%) OR { 1684} (( segid " " and resid 1582 and name HD1 )) ( segid " " and resid 1584 and name HG2%) ASSI { 1685} (( segid " " and resid 1582 and name HD2 )) ( segid " " and resid 1584 and name HG1%) 3.400 1.400 1.400 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.27301E-02 ppm1 3.218 ppm2 0.823 CV 1 OR { 1685} (( segid " " and resid 1582 and name HD2 )) ( segid " " and resid 1584 and name HG2%) ASSI { 1688} (( segid " " and resid 1629 and name HB1 )) (( segid " " and resid 1629 and name HN )) 3.000 1.100 1.100 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 1.861 ppm2 8.373 CV 1 ASSI { 1689} (( segid " " and resid 1629 and name HB1 )) ( segid " " and resid 1629 and name HD1%) 2.600 0.900 0.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.60773E-02 ppm1 1.869 ppm2 0.902 CV 1 OR { 1689} (( segid " " and resid 1629 and name HB1 )) ( segid " " and resid 1629 and name HD2%) ASSI { 1690} (( segid " " and resid 1629 and name HB1 )) (( segid " " and resid 1629 and name HG )) 2.800 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.34367E-02 ppm1 1.874 ppm2 1.538 CV 1 ASSI { 1691} (( segid " " and resid 1629 and name HB1 )) (( segid " " and resid 1631 and name HG1 )) 3.800 1.800 2.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.74545E-02 ppm1 1.867 ppm2 1.430 CV 1 OR { 1691} (( segid " " and resid 1629 and name HB1 )) (( segid " " and resid 1627 and name HG12)) ASSI { 1692} (( segid " " and resid 1538 and name HB1 )) (( segid " " and resid 1538 and name HB2 )) 2.200 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 3.241 ppm2 2.521 CV 1 ASSI { 1694} (( segid " " and resid 1581 and name HB1 )) ( segid " " and resid 1581 and name HD1%) 3.300 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.32928E-02 ppm1 1.665 ppm2 0.633 CV 1 ASSI { 1697} (( segid " " and resid 1581 and name HB1 )) (( segid " " and resid 1581 and name HN )) 2.700 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.18628E-02 ppm1 1.668 ppm2 8.487 CV 1 ASSI { 1702} (( segid " " and resid 1538 and name HB1 )) ( segid " " and resid 1538 and name HD% ) 3.000 1.200 1.200 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 3.237 ppm2 7.467 CV 1 ASSI { 1703} (( segid " " and resid 1554 and name HA2 )) (( segid " " and resid 1554 and name HA1 )) 1.800 0.400 0.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.70366E-02 ppm1 3.715 ppm2 4.089 CV 1 ASSI { 1704} (( segid " " and resid 1524 and name HA2 )) (( segid " " and resid 1524 and name HA1 )) 1.800 0.400 0.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.93812E-02 ppm1 3.582 ppm2 4.236 CV 1 ASSI { 1705} (( segid " " and resid 1546 and name HA2 )) (( segid " " and resid 1546 and name HA1 )) 1.700 0.400 0.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.12781E-01 ppm1 3.681 ppm2 4.308 CV 1 ASSI { 1706} (( segid " " and resid 1562 and name HA2 )) (( segid " " and resid 1562 and name HA1 )) 1.800 0.400 0.400 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.95344E-02 ppm1 3.743 ppm2 4.261 CV 1 ASSI { 1707} (( segid " " and resid 1534 and name HA2 )) (( segid " " and resid 1534 and name HA1 )) 2.000 0.500 0.500 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.43301E-02 ppm1 3.873 ppm2 4.856 CV 1 ASSI { 1708} (( segid " " and resid 1575 and name HA2 )) (( segid " " and resid 1575 and name HA1 )) 2.000 0.500 0.500 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.18024E-02 ppm1 3.046 ppm2 4.684 CV 1 ASSI { 1712} (( segid " " and resid 1546 and name HA2 )) (( segid " " and resid 1547 and name HN )) 3.500 1.500 1.500 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.52513E-02 ppm1 3.674 ppm2 8.458 CV 1 ASSI { 1713} (( segid " " and resid 1524 and name HA2 )) (( segid " " and resid 1524 and name HN )) 2.400 0.700 0.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.38229E-02 ppm1 3.583 ppm2 8.711 CV 1 ASSI { 1714} (( segid " " and resid 1595 and name HA2 )) (( segid " " and resid 1596 and name HN )) 3.400 1.400 1.400 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.19656E-02 ppm1 3.559 ppm2 8.832 CV 1 ASSI { 1715} (( segid " " and resid 1575 and name HA2 )) (( segid " " and resid 1576 and name HN )) 2.300 0.600 0.600 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.25933E-02 ppm1 3.055 ppm2 9.099 CV 1 ASSI { 1717} (( segid " " and resid 1534 and name HA2 )) (( segid " " and resid 1535 and name HN )) 3.100 1.200 1.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.26312E-02 ppm1 3.886 ppm2 8.813 CV 1 ASSI { 1718} (( segid " " and resid 1562 and name HA2 )) (( segid " " and resid 1562 and name HN )) 3.000 1.100 1.100 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.30625E-02 ppm1 3.741 ppm2 9.360 CV 1 ASSI { 1719} (( segid " " and resid 1562 and name HA1 )) (( segid " " and resid 1562 and name HN )) 2.600 0.900 0.900 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.38011E-02 ppm1 4.271 ppm2 9.366 CV 1 ASSI { 1723} (( segid " " and resid 1619 and name HA2 )) (( segid " " and resid 1619 and name HN )) 2.600 0.900 0.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.43120E-02 ppm1 4.226 ppm2 8.245 CV 1 ASSI { 1728} (( segid " " and resid 1554 and name HA1 )) (( segid " " and resid 1554 and name HN )) 3.400 1.500 1.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.18190E-02 ppm1 4.082 ppm2 7.000 CV 1 ASSI { 1732} (( segid " " and resid 1546 and name HA1 )) (( segid " " and resid 1546 and name HA2 )) 2.200 0.600 0.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.16000E-01 ppm1 4.306 ppm2 3.691 CV 1 ASSI { 1733} (( segid " " and resid 1619 and name HA2 )) (( segid " " and resid 1620 and name HD2 )) 3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.72493E-02 ppm1 4.220 ppm2 3.721 CV 1 ASSI { 1734} (( segid " " and resid 1619 and name HA2 )) (( segid " " and resid 1620 and name HD1 )) 2.800 1.000 1.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.59559E-02 ppm1 4.221 ppm2 3.832 CV 1 ASSI { 1736} (( segid " " and resid 1554 and name HA1 )) ( segid " " and resid 1577 and name HB% ) 3.800 1.800 1.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.27007E-02 ppm1 4.080 ppm2 0.660 CV 1 ASSI { 1741} (( segid " " and resid 1524 and name HA2 )) ( segid " " and resid 1519 and name HG2%) 3.500 1.100 1.100 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.28345E-02 ppm1 3.577 ppm2 0.917 CV 1 ASSI { 1744} (( segid " " and resid 1619 and name HA1 )) (( segid " " and resid 1620 and name HG1 )) 4.500 2.500 1.500 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.19232E-02 ppm1 4.303 ppm2 2.130 CV 1 OR { 1744} (( segid " " and resid 1619 and name HA1 )) (( segid " " and resid 1620 and name HB2 )) ASSI { 1745} (( segid " " and resid 1619 and name HA2 )) (( segid " " and resid 1620 and name HG1 )) 5.000 3.100 1.000 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 4.222 ppm2 2.137 CV 1 OR { 1745} (( segid " " and resid 1619 and name HA2 )) (( segid " " and resid 1620 and name HB2 )) ASSI { 1746} (( segid " " and resid 1603 and name HA2 )) (( segid " " and resid 1603 and name HA1 )) 2.200 0.600 0.500 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.13398E-01 ppm1 3.827 ppm2 4.226 CV 1 ASSI { 1747} (( segid " " and resid 1603 and name HA1 )) (( segid " " and resid 1603 and name HN )) 3.000 1.100 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.36676E-02 ppm1 4.224 ppm2 8.599 CV 1 ASSI { 1750} (( segid " " and resid 1603 and name HA1 )) (( segid " " and resid 1604 and name HN )) 3.600 1.600 1.800 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.20671E-02 ppm1 4.217 ppm2 7.738 CV 1 ASSI { 1752} (( segid " " and resid 1568 and name HA2 )) (( segid " " and resid 1568 and name HN )) 3.000 3.000 3.000 peak 1752 spectrum 1 weight 0.11000E+01 volume 0.21836E-02 ppm1 4.110 ppm2 9.046 CV 1 ASSI { 1753} (( segid " " and resid 1564 and name HA2 )) ( segid " " and resid 1577 and name HB% ) 3.500 1.200 1.200 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.23479E-02 ppm1 3.066 ppm2 0.664 CV 1 ASSI { 1754} (( segid " " and resid 1564 and name HA1 )) ( segid " " and resid 1577 and name HB% ) 3.500 1.100 1.100 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.26869E-02 ppm1 4.265 ppm2 0.665 CV 1 ASSI { 1755} (( segid " " and resid 1564 and name HA1 )) (( segid " " and resid 1564 and name HA2 )) 1.800 0.400 0.400 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.31498E-02 ppm1 4.259 ppm2 3.071 CV 1 ASSI { 1765} (( segid " " and resid 1590 and name HB1 )) ( segid " " and resid 1610 and name HD1%) 3.300 1.200 1.200 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.26628E-02 ppm1 1.428 ppm2 0.207 CV 1 OR { 1765} (( segid " " and resid 1590 and name HB2 )) ( segid " " and resid 1610 and name HD1%) OR { 1765} (( segid " " and resid 1590 and name HB2 )) ( segid " " and resid 1610 and name HG2%) OR { 1765} (( segid " " and resid 1590 and name HB1 )) ( segid " " and resid 1610 and name HG2%) ASSI { 1769} (( segid " " and resid 1590 and name HB1 )) (( segid " " and resid 1590 and name HA )) 2.900 1.000 1.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16789E-02 ppm1 1.436 ppm2 4.847 CV 1 OR { 1769} (( segid " " and resid 1590 and name HB2 )) (( segid " " and resid 1590 and name HA )) ASSI { 1771} (( segid " " and resid 1620 and name HD2 )) (( segid " " and resid 1620 and name HG1 )) 2.600 0.800 0.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.94852E-02 ppm1 3.725 ppm2 2.128 CV 1 OR { 1771} (( segid " " and resid 1620 and name HD2 )) (( segid " " and resid 1620 and name HB2 )) ASSI { 1772} (( segid " " and resid 1620 and name HD1 )) (( segid " " and resid 1620 and name HG1 )) 2.200 0.600 0.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.91504E-02 ppm1 3.828 ppm2 2.120 CV 1 OR { 1772} (( segid " " and resid 1620 and name HD1 )) (( segid " " and resid 1620 and name HB2 )) ASSI { 1773} (( segid " " and resid 1620 and name HD1 )) (( segid " " and resid 1619 and name HA1 )) 2.500 0.800 0.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.58105E-02 ppm1 3.827 ppm2 4.310 CV 1 ASSI { 1774} (( segid " " and resid 1620 and name HD2 )) (( segid " " and resid 1619 and name HA1 )) 2.800 1.000 1.00 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.57023E-02 ppm1 3.724 ppm2 4.311 CV 1 ASSI { 1777} (( segid " " and resid 1620 and name HD2 )) (( segid " " and resid 1620 and name HD1 )) 1.500 0.300 0.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.16145E-01 ppm1 3.725 ppm2 3.830 CV 1 ASSI { 1779} (( segid " " and resid 1597 and name HD1 )) (( segid " " and resid 1597 and name HD2 )) 1.600 0.300 0.600 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.49506E-02 ppm1 3.932 ppm2 3.614 CV 1 ASSI { 1782} (( segid " " and resid 1597 and name HD1 )) (( segid " " and resid 1597 and name HG1 )) 2.800 0.600 0.800 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.30194E-02 ppm1 3.933 ppm2 2.186 CV 1 ASSI { 1783} (( segid " " and resid 1597 and name HD1 )) (( segid " " and resid 1597 and name HG2 )) 2.700 0.900 1.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 3.939 ppm2 2.071 CV 1 ASSI { 1784} (( segid " " and resid 1597 and name HD1 )) (( segid " " and resid 1597 and name HB2 )) 3.600 1.600 1.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.18134E-02 ppm1 3.941 ppm2 1.898 CV 1 ASSI { 1786} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HB1 )) 3.800 1.800 1.800 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 3.619 ppm2 2.425 CV 1 ASSI { 1787} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HG1 )) 2.800 1.000 1.000 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.31524E-02 ppm1 3.611 ppm2 2.194 CV 1 ASSI { 1788} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HG2 )) 2.800 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.33287E-02 ppm1 3.601 ppm2 2.069 CV 1 ASSI { 1789} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HB2 )) 3.300 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 3.611 ppm2 1.899 CV 1 ASSI { 1790} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HB2 )) 3.500 1.000 1.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 3.607 ppm2 1.803 CV 1 ASSI { 1791} (( segid " " and resid 1620 and name HD1 )) (( segid " " and resid 1620 and name HB1 )) 3.400 1.400 1.400 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 3.837 ppm2 2.449 CV 1 ASSI { 1792} (( segid " " and resid 1620 and name HD2 )) (( segid " " and resid 1620 and name HB1 )) 4.200 2.200 1.800 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.17842E-02 ppm1 3.727 ppm2 2.440 CV 1 ASSI { 1793} (( segid " " and resid 1597 and name HD1 )) (( segid " " and resid 1596 and name HA )) 3.000 1.300 1.300 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.29851E-02 ppm1 3.935 ppm2 4.769 CV 1 ASSI { 1794} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1596 and name HA )) 3.300 1.500 1.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.22857E-02 ppm1 3.611 ppm2 4.761 CV 1 ASSI { 1795} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1596 and name HB1 )) 3.500 1.100 2.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 3.611 ppm2 4.239 CV 1 ASSI { 1796} ( segid " " and resid 1552 and name HD1%) ( segid " " and resid 1610 and name HD1%) 4.000 1.500 1.500 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.42044E-02 ppm1 0.819 ppm2 0.200 CV 1 ASSI { 1798} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1590 and name HD1%)) 4.000 1.600 1.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.31332E-02 ppm1 0.831 ppm2 1.139 CV 1 ASSI { 1799} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1590 and name HD1%)) 4.500 1.600 1.500 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.34323E-02 ppm1 0.828 ppm2 1.289 CV 1 ASSI { 1800} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1552 and name HG11)) 2.700 0.900 0.900 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.16601E-02 ppm1 0.814 ppm2 2.104 CV 1 ASSI { 1801} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1552 and name HG12)) 2.800 1.000 1.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.32564E-02 ppm1 0.818 ppm2 1.852 CV 1 OR { 1801} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1552 and name HG11)) ASSI { 1803} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1552 and name HA )) 3.300 0.900 1.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 0.804 ppm2 4.173 CV 1 ASSI { 1804} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1612 and name HZ )) 3.500 1.100 1.100 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.33304E-02 ppm1 0.814 ppm2 6.681 CV 1 ASSI { 1805} ( segid " " and resid 1552 and name HD1%) (( segid " " and resid 1640 and name HZ3 )) 4.000 0.900 1.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23910E-02 ppm1 0.823 ppm2 6.480 CV 1 ASSI { 1806} ( segid " " and resid 1552 and name HD1%) ( segid " " and resid 1612 and name HE1 ) 4.500 1.000 1.400 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.23446E-02 ppm1 0.818 ppm2 6.376 CV 1 OR { 1806} ( segid " " and resid 1552 and name HD1%) ( segid " " and resid 1612 and name HE2 ) ASSI { 1808} (( segid " " and resid 1648 and name HD2 )) (( segid " " and resid 1648 and name HG1 )) 2.800 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.59730E-02 ppm1 3.273 ppm2 2.019 CV 1 ASSI { 1809} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1648 and name HG1 )) 2.800 0.700 0.700 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.60499E-02 ppm1 3.370 ppm2 2.004 CV 1 OR { 1809} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1648 and name HG2 )) ASSI { 1810} (( segid " " and resid 1520 and name HA )) (( segid " " and resid 1521 and name HD1 )) 2.800 0.700 1.000 peak 1810 spectrum 1 weight 0.11000E+01 volume 0.37605E-02 ppm1 4.182 ppm2 3.828 CV 1 OR { 1810} (( segid " " and resid 1520 and name HA )) (( segid " " and resid 1521 and name HD2 )) ASSI { 1814} (( segid " " and resid 1520 and name HA )) (( segid " " and resid 1521 and name HG2 )) 4.100 2.200 1.300 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 4.188 ppm2 2.150 CV 1 OR { 1814} (( segid " " and resid 1520 and name HA )) (( segid " " and resid 1521 and name HG1 )) ASSI { 1822} (( segid " " and resid 1616 and name HD1 )) (( segid " " and resid 1615 and name HA )) 2.000 0.500 0.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.54298E-02 ppm1 3.877 ppm2 4.782 CV 1 OR { 1822} (( segid " " and resid 1616 and name HD2 )) (( segid " " and resid 1615 and name HA )) ASSI { 1827} (( segid " " and resid 1521 and name HD2 )) ( segid " " and resid 1583 and name HE% ) 3.800 1.800 3.200 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.16904E-02 ppm1 3.822 ppm2 6.871 CV 1 OR { 1827} (( segid " " and resid 1521 and name HD2 )) ( segid " " and resid 1583 and name HD% ) ASSI { 2601} (( segid " " and resid 1521 and name HD1 )) ( segid " " and resid 1583 and name HE% ) 4.000 2.200 2.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.16904E-02 ppm1 3.822 ppm2 6.871 CV 1 OR { 2601} (( segid " " and resid 1521 and name HD1 )) ( segid " " and resid 1583 and name HD% ) ASSI { 1828} (( segid " " and resid 1616 and name HD2 )) (( segid " " and resid 1617 and name HN )) 3.900 1.900 1.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.876 ppm2 8.370 CV 1 OR { 1828} (( segid " " and resid 1616 and name HD1 )) (( segid " " and resid 1617 and name HN )) ASSI { 1829} (( segid " " and resid 1521 and name HD2 )) (( segid " " and resid 1522 and name HN )) 4.000 2.200 1.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.876 ppm2 8.370 CV 1 ASSI { 2602} (( segid " " and resid 1521 and name HD1 )) (( segid " " and resid 1522 and name HN )) 4.500 2.200 1.500 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.876 ppm2 8.370 CV 1 ASSI { 1831} (( segid " " and resid 1648 and name HD1 )) (( segid " " and resid 1648 and name HD2 )) 1.500 0.300 0.700 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.15696E-01 ppm1 3.371 ppm2 3.268 CV 1 ASSI { 1837} (( segid " " and resid 1521 and name HD2 )) (( segid " " and resid 1521 and name HG1 )) 2.300 0.700 0.700 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.73676E-02 ppm1 3.821 ppm2 2.150 CV 1 OR { 1837} (( segid " " and resid 1521 and name HD1 )) (( segid " " and resid 1521 and name HG2 )) OR { 1837} (( segid " " and resid 1521 and name HD2 )) (( segid " " and resid 1521 and name HG2 )) OR { 1837} (( segid " " and resid 1521 and name HD1 )) (( segid " " and resid 1521 and name HG1 )) ASSI { 1838} (( segid " " and resid 1599 and name HD1 )) (( segid " " and resid 1599 and name HD2 )) 1.800 0.400 0.400 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.52449E-02 ppm1 4.171 ppm2 3.811 CV 1 ASSI { 1839} (( segid " " and resid 1599 and name HD1 )) (( segid " " and resid 1598 and name HA )) 3.100 1.200 1.200 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.18534E-02 ppm1 4.166 ppm2 4.695 CV 1 ASSI { 1840} (( segid " " and resid 1599 and name HD2 )) (( segid " " and resid 1598 and name HA )) 2.600 0.800 0.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.24671E-02 ppm1 3.815 ppm2 4.685 CV 1 ASSI { 1841} (( segid " " and resid 1599 and name HD1 )) (( segid " " and resid 1599 and name HG1 )) 2.300 0.600 0.600 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.52203E-02 ppm1 4.168 ppm2 2.177 CV 1 ASSI { 1844} (( segid " " and resid 1599 and name HD2 )) (( segid " " and resid 1599 and name HG1 )) 2.700 0.900 0.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.59790E-02 ppm1 3.812 ppm2 2.172 CV 1 ASSI { 1845} (( segid " " and resid 1577 and name HA )) (( segid " " and resid 1578 and name HN )) 2.400 0.600 0.500 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.57418E-02 ppm1 2.569 ppm2 7.022 CV 1 ASSI { 1846} (( segid " " and resid 1577 and name HA )) (( segid " " and resid 1577 and name HN )) 2.600 0.800 0.800 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.20708E-02 ppm1 2.564 ppm2 7.979 CV 1 ASSI { 1847} (( segid " " and resid 1577 and name HA )) ( segid " " and resid 1592 and name HE1 ) 3.000 1.100 1.100 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 2.562 ppm2 7.127 CV 1 OR { 1847} (( segid " " and resid 1577 and name HA )) ( segid " " and resid 1592 and name HE2 ) ASSI { 1849} (( segid " " and resid 1645 and name HA )) ( segid " " and resid 1588 and name HD2%) 3.300 1.500 1.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.36280E-02 ppm1 4.574 ppm2 0.496 CV 1 ASSI { 1853} (( segid " " and resid 1588 and name HA )) (( segid " " and resid 1588 and name HB1 )) 2.800 0.800 0.800 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 5.445 ppm2 1.772 CV 1 ASSI { 1854} (( segid " " and resid 1588 and name HA )) (( segid " " and resid 1588 and name HB2 )) 2.800 1.000 1.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.25580E-02 ppm1 5.434 ppm2 1.362 CV 1 OR { 1854} (( segid " " and resid 1588 and name HA )) (( segid " " and resid 1588 and name HG )) ASSI { 1855} (( segid " " and resid 1588 and name HA )) ( segid " " and resid 1588 and name HD1%) 3.300 1.500 1.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.26054E-02 ppm1 5.423 ppm2 0.189 CV 1 ASSI { 1858} (( segid " " and resid 1599 and name HD2 )) (( segid " " and resid 1599 and name HB2 )) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.22232E-02 ppm1 3.814 ppm2 2.065 CV 1 ASSI { 1859} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1622 and name HB1 )) 3.800 1.800 2.200 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 3.988 ppm2 3.284 CV 1 OR { 1859} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1538 and name HB1 )) ASSI { 1860} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1623 and name HD1 )) 4.100 2.200 1.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.24218E-02 ppm1 3.988 ppm2 3.099 CV 1 OR { 1860} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1623 and name HD2 )) ASSI { 1865} (( segid " " and resid 1643 and name HD2 )) (( segid " " and resid 1643 and name HG1 )) 2.500 0.800 0.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.23746E-02 ppm1 3.883 ppm2 2.201 CV 1 OR { 1865} (( segid " " and resid 1643 and name HD1 )) (( segid " " and resid 1643 and name HG1 )) ASSI { 1866} (( segid " " and resid 1643 and name HD1 )) (( segid " " and resid 1643 and name HG2 )) 2.600 0.900 0.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.32845E-02 ppm1 3.884 ppm2 2.046 CV 1 OR { 1866} (( segid " " and resid 1643 and name HD2 )) (( segid " " and resid 1643 and name HG2 )) OR { 1866} (( segid " " and resid 1643 and name HD2 )) (( segid " " and resid 1643 and name HB2 )) OR { 1866} (( segid " " and resid 1643 and name HD1 )) (( segid " " and resid 1643 and name HB2 )) ASSI { 1867} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1623 and name HB1 )) 2.900 1.100 1.100 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.27618E-02 ppm1 3.990 ppm2 1.858 CV 1 ASSI { 1868} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1623 and name HG1 )) 2.200 0.600 0.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.46874E-02 ppm1 3.991 ppm2 1.628 CV 1 OR { 1868} (( segid " " and resid 1623 and name HA )) (( segid " " and resid 1623 and name HB2 )) ASSI { 1870} (( segid " " and resid 1539 and name HA )) ( segid " " and resid 1539 and name HG2%) 3.300 1.500 1.800 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.21370E-02 ppm1 3.985 ppm2 1.132 CV 1 ASSI { 1871} (( segid " " and resid 1618 and name HA )) ( segid " " and resid 1618 and name HB% ) 2.800 0.600 0.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.14576E-01 ppm1 4.369 ppm2 1.523 CV 1 ASSI { 1872} (( segid " " and resid 1618 and name HA )) (( segid " " and resid 1618 and name HN )) 2.800 0.700 0.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 4.367 ppm2 8.253 CV 1 ASSI { 1878} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1535 and name HA )) 3.200 3.200 2.800 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 5.526 ppm2 4.611 CV 1 ASSI { 1879} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1557 and name HA )) 4.500 2.600 1.500 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.95454E-03 ppm1 5.536 ppm2 4.200 CV 1 ASSI { 1880} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1556 and name HB1 )) 3.200 1.300 1.300 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 5.532 ppm2 2.652 CV 1 ASSI { 1881} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1557 and name HG2 )) 4.500 2.600 1.500 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.16375E-02 ppm1 5.548 ppm2 1.803 CV 1 OR { 1881} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1557 and name HB2 )) ASSI { 1882} (( segid " " and resid 1556 and name HA )) (( segid " " and resid 1557 and name HN )) 2.600 0.800 0.800 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.26264E-02 ppm1 5.531 ppm2 9.247 CV 1 ASSI { 1884} (( segid " " and resid 1643 and name HD1 )) (( segid " " and resid 1642 and name HA )) 2.800 1.000 1.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 3.885 ppm2 5.477 CV 1 ASSI { 1883} (( segid " " and resid 1643 and name HD2 )) (( segid " " and resid 1642 and name HA )) 2.800 1.000 1.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 3.885 ppm2 5.477 CV 1 ASSI { 1890} (( segid " " and resid 1529 and name HA )) ( segid " " and resid 1529 and name HD2%) 2.800 0.600 0.600 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.71346E-02 ppm1 4.425 ppm2 0.007 CV 1 ASSI { 1895} (( segid " " and resid 1558 and name HA )) (( segid " " and resid 1558 and name HB1 )) 3.100 1.200 1.200 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.36387E-02 ppm1 4.477 ppm2 2.190 CV 1 ASSI { 1896} (( segid " " and resid 1558 and name HA )) (( segid " " and resid 1558 and name HB2 )) 2.600 0.800 0.800 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.43893E-02 ppm1 4.485 ppm2 1.884 CV 1 ASSI { 1901} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1517 and name HG1 )) 3.800 1.800 1.800 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 5.459 ppm2 2.333 CV 1 ASSI { 1902} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1517 and name HB2 )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.24906E-02 ppm1 5.461 ppm2 1.957 CV 1 OR { 1902} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1517 and name HB1 )) ASSI { 1903} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1517 and name HG2 )) 3.400 1.500 1.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.24586E-02 ppm1 5.459 ppm2 2.101 CV 1 ASSI { 1904} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1528 and name HA )) 3.500 1.700 1.700 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.17030E-02 ppm1 5.445 ppm2 5.081 CV 1 ASSI { 1905} (( segid " " and resid 1517 and name HA )) (( segid " " and resid 1517 and name HN )) 2.900 1.100 1.100 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.16681E-02 ppm1 5.468 ppm2 7.802 CV 1 ASSI { 1907} (( segid " " and resid 1526 and name HA )) (( segid " " and resid 1526 and name HB2 )) 2.500 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 4.227 ppm2 1.193 CV 1 ASSI { 1908} (( segid " " and resid 1526 and name HA )) (( segid " " and resid 1526 and name HG )) 2.800 0.900 0.900 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.19787E-02 ppm1 4.230 ppm2 1.137 CV 1 ASSI { 1909} (( segid " " and resid 1526 and name HA )) ( segid " " and resid 1519 and name HG2%) 2.800 0.900 1.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.22015E-02 ppm1 4.224 ppm2 0.909 CV 1 ASSI { 1912} (( segid " " and resid 1536 and name HA )) (( segid " " and resid 1557 and name HG1 )) 3.500 1.400 2.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.27376E-02 ppm1 4.044 ppm2 2.285 CV 1 ASSI { 1913} (( segid " " and resid 1536 and name HA )) (( segid " " and resid 1557 and name HG2 )) 3.800 1.400 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.23992E-02 ppm1 4.052 ppm2 1.794 CV 1 ASSI { 1915} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1589 and name HN )) 2.800 0.900 0.900 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.18226E-02 ppm1 6.020 ppm2 9.435 CV 1 ASSI { 1916} (( segid " " and resid 1550 and name HA )) (( segid " " and resid 1551 and name HN )) 2.800 0.800 0.600 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.40159E-02 ppm1 5.764 ppm2 9.418 CV 1 ASSI { 1917} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1590 and name HN )) 2.800 0.800 0.500 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.52698E-02 ppm1 6.013 ppm2 8.972 CV 1 ASSI { 1918} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1611 and name HA )) 2.800 0.600 0.600 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.21951E-02 ppm1 6.009 ppm2 5.336 CV 1 ASSI { 1919} (( segid " " and resid 1550 and name HA )) (( segid " " and resid 1550 and name HB1 )) 2.800 0.800 0.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.26515E-02 ppm1 5.769 ppm2 1.888 CV 1 ASSI { 1920} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1589 and name HB2 )) 2.800 0.900 0.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.23352E-02 ppm1 6.008 ppm2 1.750 CV 1 ASSI { 1922} (( segid " " and resid 1550 and name HA )) ( segid " " and resid 1565 and name HB% ) 3.700 0.900 1.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 5.763 ppm2 1.227 CV 1 ASSI { 1923} (( segid " " and resid 1581 and name HA )) (( segid " " and resid 1581 and name HB2 )) 2.600 0.800 0.800 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.37452E-02 ppm1 4.641 ppm2 1.036 CV 1 ASSI { 1926} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1589 and name HB1 )) 2.800 0.800 0.800 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.20002E-02 ppm1 6.018 ppm2 1.859 CV 1 ASSI { 1927} (( segid " " and resid 1555 and name HA )) (( segid " " and resid 1557 and name HG1 )) 3.900 1.900 1.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.19714E-02 ppm1 3.825 ppm2 2.248 CV 1 ASSI { 1929} (( segid " " and resid 1555 and name HA )) (( segid " " and resid 1555 and name HB2 )) 2.500 0.800 0.800 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.20073E-02 ppm1 3.823 ppm2 1.572 CV 1 OR { 1929} (( segid " " and resid 1555 and name HA )) (( segid " " and resid 1555 and name HB1 )) ASSI { 1932} (( segid " " and resid 1555 and name HA )) (( segid " " and resid 1556 and name HN )) 2.100 0.600 0.600 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.32201E-02 ppm1 3.823 ppm2 8.062 CV 1 ASSI { 1935} (( segid " " and resid 1550 and name HA )) (( segid " " and resid 1565 and name HA )) 2.300 0.600 0.600 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.30632E-02 ppm1 5.770 ppm2 5.855 CV 1 ASSI { 1936} (( segid " " and resid 1626 and name HA )) (( segid " " and resid 1626 and name HN )) 2.900 1.100 1.100 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.14577E-02 ppm1 4.118 ppm2 9.373 CV 1 ASSI { 1939} (( segid " " and resid 1555 and name HA )) (( segid " " and resid 1564 and name HA1 )) 3.300 1.300 1.300 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.22564E-02 ppm1 3.830 ppm2 4.266 CV 1 ASSI { 1944} (( segid " " and resid 1626 and name HA )) (( segid " " and resid 1626 and name HB2 )) 2.600 0.800 0.800 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 4.114 ppm2 1.082 CV 1 OR { 1944} (( segid " " and resid 1626 and name HA )) (( segid " " and resid 1626 and name HG )) ASSI { 1945} (( segid " " and resid 1641 and name HA )) ( segid " " and resid 1613 and name HG1%) 4.000 1.700 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.19582E-02 ppm1 5.495 ppm2 0.690 CV 1 ASSI { 1949} (( segid " " and resid 1641 and name HA )) (( segid " " and resid 1613 and name HB )) 2.700 0.900 0.900 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.16504E-02 ppm1 5.487 ppm2 1.386 CV 1 ASSI { 1952} (( segid " " and resid 1566 and name HA )) (( segid " " and resid 1573 and name HA )) 3.300 1.000 1.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.15124E-02 ppm1 5.487 ppm2 4.471 CV 1 ASSI { 1953} (( segid " " and resid 1566 and name HA )) (( segid " " and resid 1567 and name HN )) 2.300 2.300 3.700 peak 1953 spectrum 1 weight 0.11000E+01 volume 0.20462E-02 ppm1 5.448 ppm2 8.555 CV 1 ASSI { 1955} (( segid " " and resid 1566 and name HA )) (( segid " " and resid 1574 and name HN )) 2.800 0.800 0.800 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.48306E-02 ppm1 5.497 ppm2 9.062 CV 1 ASSI { 1958} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1594 and name HB1 )) 2.500 0.800 0.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.41346E-02 ppm1 4.397 ppm2 3.002 CV 1 OR { 1958} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1594 and name HB2 )) ASSI { 1959} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1594 and name HB2 )) 2.500 0.800 0.800 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.45403E-02 ppm1 4.399 ppm2 2.963 CV 1 ASSI { 1960} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1594 and name HN )) 2.300 0.600 0.600 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.59416E-02 ppm1 4.396 ppm2 9.228 CV 1 ASSI { 1961} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1595 and name HN )) 2.800 1.000 0.700 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.23933E-02 ppm1 4.392 ppm2 8.186 CV 1 ASSI { 1965} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1627 and name HN )) 3.000 1.100 1.100 peak 1965 spectrum 1 weight 0.11000E+01 volume 0.15130E-02 ppm1 5.776 ppm2 9.293 CV 1 ASSI { 1966} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1639 and name HN )) 2.300 0.600 0.600 peak 1966 spectrum 1 weight 0.11000E+01 volume 0.31381E-02 ppm1 5.772 ppm2 9.385 CV 1 ASSI { 1968} (( segid " " and resid 1585 and name HA )) (( segid " " and resid 1586 and name HN )) 2.700 0.900 0.900 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.32951E-02 ppm1 4.255 ppm2 6.619 CV 1 ASSI { 1972} (( segid " " and resid 1585 and name HA )) ( segid " " and resid 1584 and name HG2%) 4.200 2.200 1.800 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.22550E-02 ppm1 4.258 ppm2 0.813 CV 1 OR { 1972} (( segid " " and resid 1585 and name HA )) ( segid " " and resid 1584 and name HG1%) ASSI { 1975} (( segid " " and resid 1626 and name HA )) (( segid " " and resid 1627 and name HG12)) 3.900 1.900 1.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 4.113 ppm2 1.407 CV 1 OR { 1975} (( segid " " and resid 1626 and name HA )) (( segid " " and resid 1627 and name HG11)) ASSI { 1978} (( segid " " and resid 1585 and name HA )) (( segid " " and resid 1586 and name HG2 )) 3.400 1.500 1.500 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.17506E-02 ppm1 4.263 ppm2 2.342 CV 1 OR { 1978} (( segid " " and resid 1585 and name HA )) (( segid " " and resid 1586 and name HB2 )) ASSI { 1979} (( segid " " and resid 1585 and name HA )) (( segid " " and resid 1585 and name HB1 )) 2.800 0.800 0.800 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.68884E-02 ppm1 4.252 ppm2 2.864 CV 1 ASSI { 1980} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1626 and name HA )) 2.800 0.900 1.000 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.16399E-02 ppm1 5.777 ppm2 4.120 CV 1 ASSI { 1981} (( segid " " and resid 1644 and name HA )) (( segid " " and resid 1644 and name HG )) 3.000 1.100 1.100 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.35388E-02 ppm1 4.239 ppm2 1.603 CV 1 ASSI { 1982} (( segid " " and resid 1644 and name HA )) (( segid " " and resid 1644 and name HB1 )) 2.400 0.700 0.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 4.230 ppm2 1.532 CV 1 ASSI { 1983} (( segid " " and resid 1644 and name HA )) (( segid " " and resid 1644 and name HB2 )) 2.800 1.000 1.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.36366E-02 ppm1 4.230 ppm2 1.407 CV 1 ASSI { 1984} (( segid " " and resid 1644 and name HA )) ( segid " " and resid 1644 and name HD2%) 2.800 0.800 1.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.10770E-01 ppm1 4.234 ppm2 0.977 CV 1 ASSI { 1989} (( segid " " and resid 1644 and name HA )) (( segid " " and resid 1644 and name HN )) 2.800 0.900 0.900 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.24639E-02 ppm1 4.226 ppm2 8.544 CV 1 ASSI { 1997} (( segid " " and resid 1571 and name HA )) (( segid " " and resid 1571 and name HG2 )) 3.300 1.300 1.300 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.18810E-02 ppm1 3.837 ppm2 1.668 CV 1 OR { 1997} (( segid " " and resid 1571 and name HA )) (( segid " " and resid 1571 and name HG1 )) ASSI { 2000} (( segid " " and resid 1642 and name HA )) (( segid " " and resid 1642 and name HB )) 2.800 0.700 0.700 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.32487E-02 ppm1 5.479 ppm2 4.389 CV 1 ! ASSI { 2001} ! (( segid " " and resid 1639 and name HA )) ! (( segid " " and resid 1624 and name HA )) ! 3.200 3.200 2.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.38200E-02 ppm1 5.478 ppm2 4.145 CV 1 ASSI { 2003} (( segid " " and resid 1639 and name HA )) (( segid " " and resid 1639 and name HB2 )) 2.800 0.800 0.800 peak 2003 spectrum 1 weight 0.11000E+01 volume 0.34165E-02 ppm1 5.493 ppm2 3.716 CV 1 ASSI { 2006} (( segid " " and resid 1509 and name HA )) (( segid " " and resid 1509 and name HB2 )) 2.800 0.800 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.42827E-02 ppm1 4.539 ppm2 1.936 CV 1 OR { 2006} (( segid " " and resid 1509 and name HA )) (( segid " " and resid 1509 and name HB1 )) ASSI { 2007} (( segid " " and resid 1594 and name HA )) (( segid " " and resid 1605 and name HB2 )) 3.500 1.500 1.500 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 4.402 ppm2 3.734 CV 1 ASSI { 2011} (( segid " " and resid 1617 and name HA )) (( segid " " and resid 1618 and name HN )) 2.800 0.500 0.500 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.11811E-01 ppm1 4.442 ppm2 8.300 CV 1 ASSI { 2019} (( segid " " and resid 1628 and name HA )) (( segid " " and resid 1628 and name HB1 )) 2.800 0.800 0.800 peak 2019 spectrum 1 weight 0.11000E+01 volume 0.52100E-02 ppm1 4.526 ppm2 3.841 CV 1 ASSI { 2021} (( segid " " and resid 1628 and name HA )) (( segid " " and resid 1627 and name HG11)) 4.500 2.200 1.500 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.20679E-02 ppm1 4.526 ppm2 1.420 CV 1 OR { 2021} (( segid " " and resid 1628 and name HA )) (( segid " " and resid 1627 and name HG12)) ASSI { 2022} (( segid " " and resid 1576 and name HA )) (( segid " " and resid 1576 and name HG2 )) 3.200 1.300 1.300 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.16305E-02 ppm1 4.317 ppm2 1.413 CV 1 ASSI { 2023} (( segid " " and resid 1576 and name HA )) ( segid " " and resid 1563 and name HG1%) 4.000 2.000 2.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.17702E-02 ppm1 4.308 ppm2 0.939 CV 1 ASSI { 2026} (( segid " " and resid 1614 and name HA )) ( segid " " and resid 1645 and name HB% ) 3.300 1.100 1.100 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.22142E-02 ppm1 4.476 ppm2 1.191 CV 1 ASSI { 2027} (( segid " " and resid 1649 and name HA )) (( segid " " and resid 1649 and name HN )) 2.800 0.700 0.700 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.88939E-02 ppm1 4.164 ppm2 8.162 CV 1 ASSI { 2028} (( segid " " and resid 1557 and name HA )) (( segid " " and resid 1557 and name HN )) 2.800 0.900 0.900 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.32722E-02 ppm1 4.173 ppm2 9.251 CV 1 ASSI { 2030} (( segid " " and resid 1573 and name HA )) (( segid " " and resid 1574 and name HN )) 2.800 0.800 0.800 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.23706E-02 ppm1 4.451 ppm2 8.994 CV 1 ASSI { 2032} (( segid " " and resid 1576 and name HA )) (( segid " " and resid 1564 and name HN )) 3.300 1.400 1.400 peak 2032 spectrum 1 weight 0.11000E+01 volume 0.21871E-02 ppm1 4.312 ppm2 8.551 CV 1 ASSI { 2042} (( segid " " and resid 1632 and name HA )) (( segid " " and resid 1632 and name HG2 )) 2.800 0.900 0.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.58241E-02 ppm1 4.225 ppm2 2.468 CV 1 OR { 2042} (( segid " " and resid 1632 and name HA )) (( segid " " and resid 1632 and name HG1 )) ASSI { 2043} (( segid " " and resid 1632 and name HA )) (( segid " " and resid 1632 and name HB1 )) 2.800 1.000 1.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.59801E-02 ppm1 4.228 ppm2 2.403 CV 1 ASSI { 2046} (( segid " " and resid 1557 and name HA )) (( segid " " and resid 1557 and name HG1 )) 3.500 1.100 1.100 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 4.176 ppm2 2.291 CV 1 ASSI { 2048} (( segid " " and resid 1557 and name HA )) (( segid " " and resid 1557 and name HB2 )) 2.600 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.57097E-02 ppm1 4.171 ppm2 1.792 CV 1 OR { 2048} (( segid " " and resid 1557 and name HA )) (( segid " " and resid 1557 and name HG2 )) ASSI { 2050} (( segid " " and resid 1576 and name HA )) (( segid " " and resid 1576 and name HB1 )) 2.900 1.000 1.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.21022E-02 ppm1 4.302 ppm2 1.956 CV 1 ASSI { 2059} (( segid " " and resid 1552 and name HA )) ( segid " " and resid 1552 and name HG2%) 2.500 0.800 0.800 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.39351E-02 ppm1 4.172 ppm2 0.804 CV 1 OR { 2059} (( segid " " and resid 1552 and name HA )) ( segid " " and resid 1552 and name HD1%) ASSI { 2060} (( segid " " and resid 1535 and name HA )) (( segid " " and resid 1535 and name HB1 )) 2.600 0.900 0.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.52082E-02 ppm1 4.598 ppm2 1.779 CV 1 OR { 2060} (( segid " " and resid 1535 and name HA )) (( segid " " and resid 1535 and name HB2 )) ASSI { 2064} (( segid " " and resid 1586 and name HA )) (( segid " " and resid 1586 and name HB1 )) 2.500 0.800 0.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.37285E-02 ppm1 3.609 ppm2 2.569 CV 1 ASSI { 2065} (( segid " " and resid 1586 and name HA )) (( segid " " and resid 1586 and name HG1 )) 3.400 1.400 1.400 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 3.612 ppm2 2.507 CV 1 ASSI { 2066} (( segid " " and resid 1586 and name HA )) (( segid " " and resid 1586 and name HG2 )) 2.600 0.800 0.800 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.63922E-02 ppm1 3.610 ppm2 2.368 CV 1 OR { 2066} (( segid " " and resid 1586 and name HA )) (( segid " " and resid 1586 and name HB2 )) ASSI { 2071} (( segid " " and resid 1586 and name HA )) ( segid " " and resid 1583 and name HE% ) 2.800 1.000 1.000 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.20675E-02 ppm1 3.607 ppm2 6.857 CV 1 ASSI { 2072} (( segid " " and resid 1586 and name HA )) (( segid " " and resid 1586 and name HN )) 2.300 0.600 0.600 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.49941E-02 ppm1 3.612 ppm2 6.626 CV 1 ASSI { 2074} (( segid " " and resid 1544 and name HA )) (( segid " " and resid 1544 and name HG1 )) 2.800 0.900 0.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.54123E-02 ppm1 4.211 ppm2 1.492 CV 1 OR { 2074} (( segid " " and resid 1544 and name HA )) (( segid " " and resid 1544 and name HG2 )) ASSI { 2078} (( segid " " and resid 1545 and name HA )) (( segid " " and resid 1545 and name HB2 )) 2.800 0.800 0.800 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.79863E-02 ppm1 4.671 ppm2 3.834 CV 1 ASSI { 2084} (( segid " " and resid 1634 and name HA )) (( segid " " and resid 1634 and name HB2 )) 3.100 1.200 1.200 peak 2084 spectrum 1 weight 0.11000E+01 volume 0.18045E-02 ppm1 3.714 ppm2 2.756 CV 1 ASSI { 2086} (( segid " " and resid 1600 and name HA )) (( segid " " and resid 1600 and name HB2 )) 2.600 0.800 0.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.66815E-02 ppm1 4.385 ppm2 4.009 CV 1 ASSI { 2087} (( segid " " and resid 1600 and name HA )) (( segid " " and resid 1600 and name HB1 )) 2.600 0.900 0.900 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.72464E-02 ppm1 4.386 ppm2 3.877 CV 1 ASSI { 2088} (( segid " " and resid 1631 and name HA )) (( segid " " and resid 1631 and name HB2 )) 2.400 0.700 0.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.89491E-02 ppm1 3.964 ppm2 1.926 CV 1 OR { 2088} (( segid " " and resid 1631 and name HA )) (( segid " " and resid 1631 and name HB1 )) ASSI { 2090} (( segid " " and resid 1631 and name HA )) (( segid " " and resid 1607 and name HD1 )) 3.300 1.500 1.100 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.36412E-02 ppm1 3.968 ppm2 1.676 CV 1 OR { 2090} (( segid " " and resid 1631 and name HA )) (( segid " " and resid 1631 and name HG1 )) ASSI { 2092} (( segid " " and resid 1631 and name HA )) ( segid " " and resid 1629 and name HD2%) 3.800 1.000 1.200 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.45471E-02 ppm1 3.970 ppm2 0.896 CV 1 ASSI { 2100} (( segid " " and resid 1602 and name HA )) (( segid " " and resid 1603 and name HN )) 2.800 0.800 0.600 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.81868E-02 ppm1 4.419 ppm2 8.594 CV 1 ASSI { 2101} (( segid " " and resid 1602 and name HA )) (( segid " " and resid 1602 and name HN )) 2.700 0.900 0.900 peak 2101 spectrum 1 weight 0.11000E+01 volume 0.42646E-02 ppm1 4.420 ppm2 8.392 CV 1 ASSI { 2102} (( segid " " and resid 1602 and name HA )) (( segid " " and resid 1604 and name HN )) 3.900 1.900 1.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.23119E-02 ppm1 4.422 ppm2 7.736 CV 1 ASSI { 2106} (( segid " " and resid 1613 and name HA )) (( segid " " and resid 1613 and name HB )) 2.900 1.000 1.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.30786E-02 ppm1 4.418 ppm2 1.417 CV 1 ASSI { 2107} (( segid " " and resid 1613 and name HA )) ( segid " " and resid 1645 and name HB% ) 3.800 1.300 1.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.20166E-02 ppm1 4.430 ppm2 1.196 CV 1 ASSI { 2114} (( segid " " and resid 1519 and name HA )) (( segid " " and resid 1526 and name HA )) 2.200 0.600 0.600 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.30687E-02 ppm1 5.567 ppm2 4.224 CV 1 ASSI { 2116} (( segid " " and resid 1539 and name HA )) (( segid " " and resid 1539 and name HB )) 2.400 0.700 0.700 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.34273E-02 ppm1 5.480 ppm2 3.934 CV 1 ASSI { 2117} (( segid " " and resid 1539 and name HA )) (( segid " " and resid 1540 and name HN )) 2.000 0.500 0.500 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.62872E-02 ppm1 5.485 ppm2 8.836 CV 1 ASSI { 2120} (( segid " " and resid 1569 and name HA )) (( segid " " and resid 1569 and name HG1 )) 2.800 1.000 1.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.60717E-02 ppm1 4.135 ppm2 2.521 CV 1 OR { 2120} (( segid " " and resid 1569 and name HA )) (( segid " " and resid 1569 and name HG2 )) ASSI { 2121} (( segid " " and resid 1569 and name HA )) (( segid " " and resid 1569 and name HB1 )) 2.700 0.900 0.900 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.58547E-02 ppm1 4.135 ppm2 2.449 CV 1 ASSI { 2122} (( segid " " and resid 1569 and name HA )) (( segid " " and resid 1569 and name HB2 )) 2.300 0.700 0.700 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.58109E-02 ppm1 4.135 ppm2 2.332 CV 1 ASSI { 2123} (( segid " " and resid 1584 and name HA )) ( segid " " and resid 1584 and name HG2%) 2.500 0.800 0.800 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.11724E-01 ppm1 4.303 ppm2 0.818 CV 1 OR { 2123} (( segid " " and resid 1584 and name HA )) ( segid " " and resid 1584 and name HG1%) ASSI { 2124} (( segid " " and resid 1584 and name HA )) (( segid " " and resid 1584 and name HB )) 2.400 0.700 0.700 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.47088E-02 ppm1 4.299 ppm2 1.903 CV 1 ASSI { 2125} (( segid " " and resid 1584 and name HA )) (( segid " " and resid 1585 and name HN )) 2.100 0.500 0.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.97353E-02 ppm1 4.301 ppm2 9.033 CV 1 ASSI { 2126} (( segid " " and resid 1584 and name HA )) (( segid " " and resid 1584 and name HN )) 2.900 1.000 1.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 4.304 ppm2 8.762 CV 1 ASSI { 2129} (( segid " " and resid 1587 and name HA )) (( segid " " and resid 1587 and name HB )) 2.500 0.800 0.800 peak 2129 spectrum 1 weight 0.11000E+01 volume 0.48602E-02 ppm1 4.521 ppm2 2.138 CV 1 ASSI { 2134} (( segid " " and resid 1522 and name HA )) (( segid " " and resid 1522 and name HB1 )) 2.300 0.700 0.700 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.14524E-01 ppm1 4.492 ppm2 4.011 CV 1 OR { 2134} (( segid " " and resid 1522 and name HA )) (( segid " " and resid 1522 and name HB2 )) ASSI { 2135} (( segid " " and resid 1539 and name HA )) (( segid " " and resid 1549 and name HA )) 2.700 0.900 0.900 peak 2135 spectrum 1 weight 0.11000E+01 volume 0.17553E-02 ppm1 5.484 ppm2 5.015 CV 1 ASSI { 2137} (( segid " " and resid 1522 and name HA )) (( segid " " and resid 1522 and name HN )) 2.600 0.800 0.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.50824E-02 ppm1 4.497 ppm2 8.131 CV 1 ASSI { 2145} (( segid " " and resid 1610 and name HA )) ( segid " " and resid 1610 and name HG2%) 2.700 0.900 0.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.32180E-02 ppm1 4.386 ppm2 0.181 CV 1 OR { 2145} (( segid " " and resid 1610 and name HA )) ( segid " " and resid 1610 and name HD1%) ASSI { 2146} (( segid " " and resid 1627 and name HA )) (( segid " " and resid 1627 and name HG12)) 3.300 1.300 1.300 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.32570E-02 ppm1 4.201 ppm2 1.424 CV 1 OR { 2146} (( segid " " and resid 1627 and name HA )) (( segid " " and resid 1627 and name HG11)) ASSI { 2150} (( segid " " and resid 1609 and name HA )) (( segid " " and resid 1610 and name HN )) 2.100 0.500 0.500 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.53190E-02 ppm1 4.495 ppm2 9.391 CV 1 ASSI { 2155} (( segid " " and resid 1518 and name HA )) (( segid " " and resid 1518 and name HB )) 2.600 0.900 0.900 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.40010E-02 ppm1 4.483 ppm2 2.306 CV 1 ASSI { 2159} (( segid " " and resid 1609 and name HA )) ( segid " " and resid 1609 and name HG2%) 2.800 0.800 0.800 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.58878E-02 ppm1 4.502 ppm2 0.942 CV 1 ASSI { 2162} (( segid " " and resid 1610 and name HA )) (( segid " " and resid 1610 and name HN )) 2.700 0.900 0.900 peak 2162 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 4.381 ppm2 9.401 CV 1 ASSI { 2167} (( segid " " and resid 1572 and name HA )) (( segid " " and resid 1572 and name HB )) 2.700 0.900 0.900 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.36686E-02 ppm1 3.842 ppm2 1.541 CV 1 OR { 2167} (( segid " " and resid 1572 and name HA )) (( segid " " and resid 1572 and name HG11)) ASSI { 2168} (( segid " " and resid 1572 and name HA )) (( segid " " and resid 1572 and name HG12)) 3.300 0.900 0.900 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.25651E-02 ppm1 3.842 ppm2 1.198 CV 1 ASSI { 2169} (( segid " " and resid 1572 and name HA )) ( segid " " and resid 1572 and name HG2%) 2.800 0.700 0.700 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.70897E-02 ppm1 3.840 ppm2 0.871 CV 1 OR { 2169} (( segid " " and resid 1572 and name HA )) ( segid " " and resid 1572 and name HD1%) ASSI { 2175} (( segid " " and resid 1518 and name HA )) (( segid " " and resid 1518 and name HN )) 3.000 1.100 1.100 peak 2175 spectrum 1 weight 0.11000E+01 volume 0.15965E-02 ppm1 4.481 ppm2 8.753 CV 1 ASSI { 5465} (( segid " " and resid 1624 and name HA )) (( segid " " and resid 1640 and name HA )) 4.000 2.200 2.000 peak 5465 spectrum 1 weight 0.10000E+01 volume 0.25621E-02 ppm1 4.146 ppm2 4.902 CV 1 ASSI { 2185} (( segid " " and resid 1602 and name HB1 )) (( segid " " and resid 1603 and name HN )) 3.800 1.800 1.800 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.32580E-02 ppm1 3.898 ppm2 8.597 CV 1 OR { 2185} (( segid " " and resid 1602 and name HB2 )) (( segid " " and resid 1603 and name HN )) ASSI { 2186} (( segid " " and resid 1602 and name HB2 )) (( segid " " and resid 1602 and name HN )) 2.400 0.700 0.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.10047E-01 ppm1 3.898 ppm2 8.394 CV 1 OR { 2186} (( segid " " and resid 1602 and name HB1 )) (( segid " " and resid 1602 and name HN )) ASSI { 2187} (( segid " " and resid 1602 and name HB1 )) (( segid " " and resid 1602 and name HA )) 2.200 0.600 0.600 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.16055E-01 ppm1 3.897 ppm2 4.421 CV 1 OR { 2187} (( segid " " and resid 1602 and name HB2 )) (( segid " " and resid 1602 and name HA )) ASSI { 2192} (( segid " " and resid 1596 and name HB2 )) (( segid " " and resid 1596 and name HN )) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.15854E-02 ppm1 4.137 ppm2 8.820 CV 1 ASSI { 2196} (( segid " " and resid 1600 and name HB1 )) (( segid " " and resid 1600 and name HN )) 3.200 1.300 1.300 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.28619E-02 ppm1 3.871 ppm2 7.463 CV 1 ASSI { 2197} (( segid " " and resid 1543 and name HB1 )) (( segid " " and resid 1543 and name HA )) 2.800 0.900 0.900 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.43508E-02 ppm1 3.847 ppm2 4.299 CV 1 ASSI { 2198} (( segid " " and resid 1543 and name HB2 )) (( segid " " and resid 1543 and name HA )) 2.800 0.900 0.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 3.780 ppm2 4.295 CV 1 ASSI { 2204} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1598 and name HN )) 2.600 0.800 0.800 peak 2204 spectrum 1 weight 0.11000E+01 volume 0.40997E-02 ppm1 4.475 ppm2 8.421 CV 1 ASSI { 2207} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1597 and name HB1 )) 2.300 0.700 0.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.33359E-02 ppm1 4.481 ppm2 2.457 CV 1 ASSI { 2208} (( segid " " and resid 1620 and name HA )) (( segid " " and resid 1620 and name HB2 )) 2.600 0.800 0.800 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.11120E-01 ppm1 4.622 ppm2 2.122 CV 1 OR { 2208} (( segid " " and resid 1620 and name HA )) (( segid " " and resid 1620 and name HG1 )) ASSI { 2209} (( segid " " and resid 1620 and name HA )) (( segid " " and resid 1620 and name HB1 )) 2.100 0.600 0.600 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.11233E-01 ppm1 4.623 ppm2 2.439 CV 1 ASSI { 2212} (( segid " " and resid 1611 and name HB2 )) (( segid " " and resid 1611 and name HB1 )) 1.900 0.500 0.500 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.38011E-02 ppm1 3.618 ppm2 3.899 CV 1 ASSI { 2215} (( segid " " and resid 1611 and name HB2 )) ( segid " " and resid 1609 and name HG1%) 3.300 1.000 1.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.33688E-02 ppm1 3.616 ppm2 0.926 CV 1 ASSI { 2217} (( segid " " and resid 1521 and name HA )) (( segid " " and resid 1521 and name HG1 )) 3.300 1.200 1.200 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.12788E-01 ppm1 4.361 ppm2 2.132 CV 1 OR { 2217} (( segid " " and resid 1521 and name HA )) (( segid " " and resid 1521 and name HG2 )) ASSI { 2218} (( segid " " and resid 1521 and name HA )) (( segid " " and resid 1521 and name HB1 )) 2.200 0.600 0.600 peak 2218 spectrum 1 weight 0.11000E+01 volume 0.11999E-01 ppm1 4.362 ppm2 2.405 CV 1 OR { 2218} (( segid " " and resid 1521 and name HA )) (( segid " " and resid 1521 and name HB2 )) ASSI { 2219} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1597 and name HG1 )) 2.800 0.800 0.800 peak 2219 spectrum 1 weight 0.11000E+01 volume 0.60150E-02 ppm1 4.459 ppm2 2.170 CV 1 ASSI { 2220} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1597 and name HG2 )) 3.100 3.100 2.900 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.70705E-02 ppm1 4.461 ppm2 2.060 CV 1 ASSI { 2222} (( segid " " and resid 1599 and name HA )) (( segid " " and resid 1599 and name HB1 )) 2.100 0.600 0.600 peak 2222 spectrum 1 weight 0.11000E+01 volume 0.99512E-02 ppm1 4.459 ppm2 2.387 CV 1 ASSI { 2225} (( segid " " and resid 1561 and name HA )) (( segid " " and resid 1561 and name HB1 )) 2.600 0.900 0.900 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 4.211 ppm2 1.898 CV 1 OR { 2225} (( segid " " and resid 1561 and name HA )) (( segid " " and resid 1561 and name HB2 )) ASSI { 2227} (( segid " " and resid 1545 and name HB1 )) (( segid " " and resid 1545 and name HA )) 2.600 0.800 0.800 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.52235E-02 ppm1 3.916 ppm2 4.667 CV 1 ASSI { 2229} (( segid " " and resid 1616 and name HA )) (( segid " " and resid 1617 and name HN )) 2.800 0.800 1.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.25832E-02 ppm1 4.382 ppm2 8.366 CV 1 ASSI { 2230} (( segid " " and resid 1521 and name HA )) (( segid " " and resid 1522 and name HN )) 3.300 1.000 1.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 4.359 ppm2 8.130 CV 1 ASSI { 2231} (( segid " " and resid 1561 and name HA )) (( segid " " and resid 1562 and name HN )) 2.800 0.800 0.600 peak 2231 spectrum 1 weight 0.11000E+01 volume 0.70448E-02 ppm1 4.217 ppm2 9.362 CV 1 ASSI { 2235} (( segid " " and resid 1521 and name HA )) ( segid " " and resid 1519 and name HG2%) 3.800 1.200 1.200 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.20810E-02 ppm1 4.364 ppm2 0.916 CV 1 ASSI { 2236} (( segid " " and resid 1616 and name HA )) (( segid " " and resid 1643 and name HB1 )) 3.300 0.800 1.000 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 4.383 ppm2 2.582 CV 1 ASSI { 2239} (( segid " " and resid 1563 and name HA )) ( segid " " and resid 1563 and name HG2%) 2.800 0.800 0.800 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.24992E-02 ppm1 3.921 ppm2 1.256 CV 1 ASSI { 2240} (( segid " " and resid 1561 and name HA )) (( segid " " and resid 1555 and name HB1 )) 4.000 1.000 1.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 4.217 ppm2 2.183 CV 1 ASSI { 2243} (( segid " " and resid 1563 and name HA )) (( segid " " and resid 1576 and name HA )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.11000E+01 volume 0.35046E-02 ppm1 3.917 ppm2 4.311 CV 1 ASSI { 2245} (( segid " " and resid 1628 and name HB1 )) (( segid " " and resid 1628 and name HA )) 2.700 0.900 0.900 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.46350E-02 ppm1 3.846 ppm2 4.522 CV 1 OR { 2245} (( segid " " and resid 1628 and name HB2 )) (( segid " " and resid 1628 and name HA )) ASSI { 2246} (( segid " " and resid 1561 and name HA )) (( segid " " and resid 1562 and name HA2 )) 4.300 2.300 1.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.15870E-02 ppm1 4.213 ppm2 3.752 CV 1 ASSI { 2253} (( segid " " and resid 1533 and name HB1 )) (( segid " " and resid 1533 and name HB2 )) 1.800 0.400 0.400 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.74676E-02 ppm1 4.219 ppm2 4.008 CV 1 ASSI { 2255} (( segid " " and resid 1533 and name HB2 )) (( segid " " and resid 1533 and name HA )) 3.100 1.200 1.200 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 4.010 ppm2 4.970 CV 1 ASSI { 2256} (( segid " " and resid 1616 and name HA )) (( segid " " and resid 1615 and name HA )) 4.000 1.600 1.600 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 4.382 ppm2 4.799 CV 1 ASSI { 2258} (( segid " " and resid 1533 and name HB2 )) (( segid " " and resid 1533 and name HN )) 3.400 1.500 1.500 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 4.009 ppm2 7.738 CV 1 ASSI { 2259} (( segid " " and resid 1628 and name HB1 )) (( segid " " and resid 1629 and name HN )) 3.300 1.500 1.100 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.28696E-02 ppm1 3.846 ppm2 8.379 CV 1 OR { 2259} (( segid " " and resid 1628 and name HB2 )) (( segid " " and resid 1629 and name HN )) ASSI { 2261} (( segid " " and resid 1533 and name HB2 )) (( segid " " and resid 1534 and name HN )) 3.300 1.300 1.300 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 4.001 ppm2 9.125 CV 1 ASSI { 2263} (( segid " " and resid 1605 and name HB2 )) (( segid " " and resid 1605 and name HN )) 3.000 1.000 1.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.25981E-02 ppm1 3.715 ppm2 8.399 CV 1 ASSI { 2264} (( segid " " and resid 1605 and name HB1 )) (( segid " " and resid 1605 and name HA )) 2.800 1.000 1.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 3.870 ppm2 4.965 CV 1 ASSI { 2265} (( segid " " and resid 1605 and name HB2 )) (( segid " " and resid 1605 and name HA )) 2.500 0.800 0.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.18179E-02 ppm1 3.716 ppm2 4.968 CV 1 ASSI { 2266} (( segid " " and resid 1605 and name HB2 )) (( segid " " and resid 1605 and name HB1 )) 2.200 0.400 0.800 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.12297E-01 ppm1 3.721 ppm2 3.869 CV 1 ASSI { 2268} (( segid " " and resid 1639 and name HB2 )) (( segid " " and resid 1639 and name HA )) 2.700 0.900 0.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.33855E-02 ppm1 3.706 ppm2 5.494 CV 1 OR { 2268} (( segid " " and resid 1639 and name HB1 )) (( segid " " and resid 1639 and name HA )) ASSI { 2270} (( segid " " and resid 1605 and name HB1 )) (( segid " " and resid 1595 and name HN )) 4.000 2.200 1.000 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 3.865 ppm2 8.186 CV 1 ASSI { 2271} (( segid " " and resid 1605 and name HB1 )) (( segid " " and resid 1606 and name HN )) 3.200 1.300 1.300 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.15838E-02 ppm1 3.870 ppm2 8.764 CV 1 ASSI { 2272} (( segid " " and resid 1605 and name HB2 )) (( segid " " and resid 1606 and name HN )) 3.300 1.300 1.300 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.18169E-02 ppm1 3.717 ppm2 8.770 CV 1 ASSI { 2273} (( segid " " and resid 1639 and name HB2 )) (( segid " " and resid 1640 and name HN )) 4.100 2.100 1.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 3.695 ppm2 9.031 CV 1 OR { 2273} (( segid " " and resid 1639 and name HB1 )) (( segid " " and resid 1640 and name HN )) ASSI { 2275} (( segid " " and resid 1639 and name HB1 )) (( segid " " and resid 1627 and name HG12)) 3.500 1.000 1.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.31326E-02 ppm1 3.706 ppm2 1.431 CV 1 OR { 2275} (( segid " " and resid 1639 and name HB2 )) (( segid " " and resid 1627 and name HG12)) ASSI { 2282} (( segid " " and resid 1639 and name HB1 )) (( segid " " and resid 1639 and name HN )) 2.800 1.000 1.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.21998E-02 ppm1 3.703 ppm2 9.375 CV 1 OR { 2282} (( segid " " and resid 1639 and name HB2 )) (( segid " " and resid 1639 and name HN )) ASSI { 2291} (( segid " " and resid 1621 and name HB )) (( segid " " and resid 1621 and name HN )) 2.900 2.900 3.100 peak 2291 spectrum 1 weight 0.11000E+01 volume 0.22400E-02 ppm1 4.452 ppm2 8.169 CV 1 ASSI { 2292} (( segid " " and resid 1635 and name HB )) ( segid " " and resid 1635 and name HG2%) 2.400 0.700 0.700 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.48815E-02 ppm1 3.658 ppm2 0.334 CV 1 ASSI { 2293} (( segid " " and resid 1633 and name HB )) ( segid " " and resid 1604 and name HD1%) 3.300 1.500 1.200 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.28694E-02 ppm1 4.465 ppm2 0.882 CV 1 OR { 2293} (( segid " " and resid 1633 and name HB )) ( segid " " and resid 1604 and name HD2%) ASSI { 2295} (( segid " " and resid 1519 and name HB )) (( segid " " and resid 1520 and name HN )) 3.600 1.600 1.600 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.27418E-02 ppm1 3.720 ppm2 8.234 CV 1 ASSI { 2297} (( segid " " and resid 1519 and name HB )) (( segid " " and resid 1519 and name HA )) 2.700 0.900 0.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.36661E-02 ppm1 3.722 ppm2 5.573 CV 1 ASSI { 2298} (( segid " " and resid 1519 and name HB )) ( segid " " and resid 1519 and name HG2%) 2.800 0.600 0.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.10157E-01 ppm1 3.721 ppm2 0.915 CV 1 ASSI { 2299} (( segid " " and resid 1633 and name HB )) (( segid " " and resid 1633 and name HA )) 2.800 0.800 0.800 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.71891E-02 ppm1 4.463 ppm2 4.376 CV 1 ASSI { 2307} ( segid " " and resid 1625 and name HE% ) (( segid " " and resid 1639 and name HB1 )) 3.600 1.700 1.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.15161E-02 ppm1 2.097 ppm2 3.717 CV 1 OR { 2307} ( segid " " and resid 1625 and name HE% ) (( segid " " and resid 1639 and name HB2 )) ASSI { 2311} ( segid " " and resid 1625 and name HE% ) (( segid " " and resid 1625 and name HG1 )) 4.000 1.300 1.300 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.27897E-02 ppm1 2.095 ppm2 2.625 CV 1 ASSI { 2324} (( segid " " and resid 1642 and name HB )) (( segid " " and resid 1644 and name HN )) 3.500 1.200 1.200 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.81234E-03 ppm1 4.402 ppm2 8.502 CV 1 ASSI { 2330} (( segid " " and resid 1586 and name HB2 )) (( segid " " and resid 1586 and name HA )) 3.300 1.400 1.400 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.18309E-02 ppm1 2.384 ppm2 3.601 CV 1 ASSI { 2331} (( segid " " and resid 1586 and name HB2 )) (( segid " " and resid 1586 and name HN )) 4.000 2.000 2.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.91044E-03 ppm1 2.385 ppm2 6.622 CV 1 ASSI { 2342} ( segid " " and resid 1592 and name HE% ) (( segid " " and resid 1590 and name HB1 )) 4.100 1.500 1.500 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.61714E-03 ppm1 7.127 ppm2 1.416 CV 1 ASSI { 2348} ( segid " " and resid 1592 and name HE% ) (( segid " " and resid 1564 and name HA2 )) 4.100 1.700 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.10841E-02 ppm1 7.129 ppm2 3.047 CV 1 ASSI { 2350} (( segid " " and resid 1630 and name HB1 )) ( segid " " and resid 1637 and name HE1 ) 3.800 1.800 1.800 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 3.150 ppm2 7.309 CV 1 OR { 2350} (( segid " " and resid 1630 and name HB1 )) ( segid " " and resid 1637 and name HE2 ) ASSI { 2353} (( segid " " and resid 1576 and name HE1 )) (( segid " " and resid 1576 and name HG2 )) 3.300 1.400 1.400 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.21537E-02 ppm1 3.225 ppm2 1.413 CV 1 ASSI { 2355} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1605 and name HA )) 4.000 2.000 1.600 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.19182E-02 ppm1 4.487 ppm2 4.965 CV 1 ASSI { 2362} (( segid " " and resid 1597 and name HA )) (( segid " " and resid 1597 and name HB2 )) 3.200 1.300 1.300 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 4.487 ppm2 1.858 CV 1 ASSI { 2363} (( segid " " and resid 1597 and name HB1 )) (( segid " " and resid 1598 and name HN )) 4.000 2.000 2.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 2.443 ppm2 8.435 CV 1 ASSI { 2369} (( segid " " and resid 1597 and name HB2 )) (( segid " " and resid 1597 and name HG2 )) 2.100 0.500 0.500 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.52630E-02 ppm1 1.866 ppm2 2.106 CV 1 ASSI { 2627} (( segid " " and resid 1597 and name HD2 )) (( segid " " and resid 1597 and name HA )) 2.800 1.000 1.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.52630E-02 ppm1 1.866 ppm2 2.106 CV 1 ASSI { 2366} (( segid " " and resid 1631 and name HB1 )) (( segid " " and resid 1631 and name HN )) 2.800 1.000 1.000 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 1.927 ppm2 9.040 CV 1 OR { 2366} (( segid " " and resid 1631 and name HB2 )) (( segid " " and resid 1631 and name HN )) ASSI { 2374} (( segid " " and resid 1643 and name HG1 )) (( segid " " and resid 1642 and name HA )) 4.500 2.500 1.300 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 2.199 ppm2 5.483 CV 1 ASSI { 2375} (( segid " " and resid 1643 and name HG2 )) (( segid " " and resid 1642 and name HA )) 4.500 2.500 1.500 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.11897E-02 ppm1 2.029 ppm2 5.488 CV 1 ASSI { 2376} (( segid " " and resid 1599 and name HG1 )) ( segid " " and resid 1606 and name HE1 ) 4.500 1.400 1.500 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 2.178 ppm2 6.813 CV 1 OR { 2376} (( segid " " and resid 1599 and name HG1 )) ( segid " " and resid 1606 and name HE2 ) ASSI { 2381} (( segid " " and resid 1516 and name HB2 )) (( segid " " and resid 1516 and name HB1 )) 2.100 0.500 0.500 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.34344E-02 ppm1 2.739 ppm2 3.645 CV 1 ASSI { 2382} (( segid " " and resid 1514 and name HB1 )) (( segid " " and resid 1511 and name HA )) 4.500 2.200 1.500 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 2.795 ppm2 4.942 CV 1 ASSI { 2383} (( segid " " and resid 1514 and name HB2 )) (( segid " " and resid 1511 and name HA )) 3.100 1.200 1.200 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 2.568 ppm2 4.949 CV 1 ASSI { 2385} (( segid " " and resid 1598 and name HB1 )) (( segid " " and resid 1598 and name HA )) 3.400 1.500 1.500 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 2.762 ppm2 4.670 CV 1 ASSI { 2386} (( segid " " and resid 1612 and name HZ )) ( segid " " and resid 1612 and name HE% ) 2.600 0.800 0.800 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 6.697 ppm2 6.372 CV 1 ASSI { 2388} (( segid " " and resid 1612 and name HZ )) ( segid " " and resid 1552 and name HG2%) 3.300 0.900 1.000 peak 2388 spectrum 1 weight 0.11000E+01 volume 0.15615E-02 ppm1 6.682 ppm2 0.814 CV 1 ASSI { 2389} (( segid " " and resid 1582 and name HG2 )) (( segid " " and resid 1582 and name HA )) 3.200 1.500 1.500 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.15386E-02 ppm1 1.686 ppm2 5.093 CV 1 OR { 2389} (( segid " " and resid 1582 and name HG1 )) (( segid " " and resid 1582 and name HA )) ASSI { 2390} (( segid " " and resid 1582 and name HG2 )) ( segid " " and resid 1584 and name HG1%) 4.000 2.200 2.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 1.673 ppm2 0.820 CV 1 OR { 2390} (( segid " " and resid 1582 and name HG1 )) ( segid " " and resid 1584 and name HG1%) OR { 2390} (( segid " " and resid 1582 and name HG2 )) ( segid " " and resid 1584 and name HG2%) OR { 2390} (( segid " " and resid 1582 and name HG1 )) ( segid " " and resid 1584 and name HG2%) ASSI { 2391} (( segid " " and resid 1624 and name HA )) (( segid " " and resid 1625 and name HB2 )) 4.100 2.100 1.900 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 4.149 ppm2 2.035 CV 1 OR { 2391} (( segid " " and resid 1624 and name HA )) (( segid " " and resid 1625 and name HB1 )) ASSI { 2392} (( segid " " and resid 1625 and name HG1 )) (( segid " " and resid 1625 and name HN )) 3.700 1.700 1.700 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 2.634 ppm2 8.693 CV 1 ASSI { 2393} (( segid " " and resid 1625 and name HG2 )) (( segid " " and resid 1625 and name HN )) 3.600 1.600 1.600 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 2.533 ppm2 8.692 CV 1 ASSI { 2395} (( segid " " and resid 1623 and name HG2 )) (( segid " " and resid 1623 and name HN )) 4.100 2.100 1.900 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 1.548 ppm2 7.963 CV 1 ASSI { 2403} (( segid " " and resid 1527 and name HB1 )) ( segid " " and resid 1588 and name HD2%) 4.000 1.600 1.600 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 3.097 ppm2 0.485 CV 1 ASSI { 2404} (( segid " " and resid 1527 and name HB2 )) ( segid " " and resid 1588 and name HD2%) 4.500 1.500 1.500 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 2.724 ppm2 0.491 CV 1 ASSI { 2405} ( segid " " and resid 1637 and name HD% ) (( segid " " and resid 1628 and name HB2 )) 4.000 1.500 1.300 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.91187E-03 ppm1 7.219 ppm2 3.798 CV 1 OR { 2405} ( segid " " and resid 1637 and name HD% ) (( segid " " and resid 1628 and name HB1 )) ASSI { 2413} (( segid " " and resid 1640 and name HZ3 )) ( segid " " and resid 1644 and name HD1%) 3.300 1.000 1.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 6.482 ppm2 0.805 CV 1 ASSI { 2418} (( segid " " and resid 1516 and name HA )) (( segid " " and resid 1516 and name HB2 )) 3.600 1.700 1.700 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.97659E-03 ppm1 4.042 ppm2 2.740 CV 1 ASSI { 2421} (( segid " " and resid 1519 and name HA )) (( segid " " and resid 1519 and name HN )) 2.800 1.000 1.000 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.14560E-02 ppm1 5.577 ppm2 7.905 CV 1 ASSI { 2422} (( segid " " and resid 1519 and name HA )) ( segid " " and resid 1527 and name HD% ) 4.500 1.000 1.500 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.13782E-02 ppm1 5.575 ppm2 7.532 CV 1 ASSI { 2423} (( segid " " and resid 1520 and name HA )) ( segid " " and resid 1583 and name HE% ) 3.500 1.000 1.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 4.173 ppm2 6.859 CV 1 OR { 2423} (( segid " " and resid 1520 and name HA )) ( segid " " and resid 1583 and name HD% ) ASSI { 2425} (( segid " " and resid 1525 and name HA )) (( segid " " and resid 1525 and name HB1 )) 3.400 1.500 1.500 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.97599E-03 ppm1 4.042 ppm2 2.989 CV 1 ASSI { 2426} (( segid " " and resid 1525 and name HA )) (( segid " " and resid 1526 and name HB1 )) 4.800 2.900 1.200 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.11947E-02 ppm1 4.049 ppm2 1.540 CV 1 ASSI { 2429} (( segid " " and resid 1622 and name HA )) (( segid " " and resid 1623 and name HN )) 2.400 0.600 0.600 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.63538E-02 ppm1 5.152 ppm2 7.951 CV 1 ASSI { 2431} (( segid " " and resid 1529 and name HA )) (( segid " " and resid 1529 and name HN )) 3.000 1.100 1.100 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.11271E-02 ppm1 4.439 ppm2 8.326 CV 1 ASSI { 2437} (( segid " " and resid 1539 and name HA )) ( segid " " and resid 1540 and name HB% ) 4.600 2.600 1.400 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 5.484 ppm2 1.277 CV 1 ASSI { 2440} (( segid " " and resid 1548 and name HA )) ( segid " " and resid 1548 and name HG2%) 2.500 0.800 0.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.39084E-02 ppm1 4.642 ppm2 0.813 CV 1 OR { 2440} (( segid " " and resid 1548 and name HA )) ( segid " " and resid 1548 and name HG1%) ASSI { 2441} (( segid " " and resid 1551 and name HA )) (( segid " " and resid 1538 and name HN )) 2.900 1.100 1.100 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.19302E-02 ppm1 5.594 ppm2 9.370 CV 1 ASSI { 2442} (( segid " " and resid 1551 and name HA )) ( segid " " and resid 1538 and name HD1 ) 4.300 2.000 1.200 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.94193E-03 ppm1 5.590 ppm2 7.463 CV 1 OR { 2442} (( segid " " and resid 1551 and name HA )) ( segid " " and resid 1538 and name HD2 ) ASSI { 2443} (( segid " " and resid 1551 and name HA )) (( segid " " and resid 1537 and name HA1 )) 3.200 1.300 1.300 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.13960E-02 ppm1 5.584 ppm2 3.914 CV 1 OR { 2443} (( segid " " and resid 1551 and name HA )) (( segid " " and resid 1537 and name HA2 )) ASSI { 2445} (( segid " " and resid 1551 and name HA )) (( segid " " and resid 1551 and name HB1 )) 3.100 1.200 1.200 peak 2445 spectrum 1 weight 0.11000E+01 volume 0.15316E-02 ppm1 5.591 ppm2 3.752 CV 1 ASSI { 2450} (( segid " " and resid 1562 and name HA1 )) (( segid " " and resid 1555 and name HB1 )) 4.300 2.300 1.700 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 4.271 ppm2 1.571 CV 1 OR { 2450} (( segid " " and resid 1562 and name HA1 )) (( segid " " and resid 1555 and name HB2 )) ASSI { 2451} (( segid " " and resid 1563 and name HA )) (( segid " " and resid 1563 and name HB )) 2.800 0.800 0.800 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.12879E-02 ppm1 3.906 ppm2 2.544 CV 1 ASSI { 2454} (( segid " " and resid 1564 and name HA2 )) (( segid " " and resid 1555 and name HA )) 2.800 0.700 0.700 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.11492E-02 ppm1 3.065 ppm2 3.829 CV 1 ASSI { 2457} (( segid " " and resid 1564 and name HA1 )) ( segid " " and resid 1592 and name HE1 ) 3.100 1.200 1.200 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.10982E-02 ppm1 4.252 ppm2 7.137 CV 1 OR { 2457} (( segid " " and resid 1564 and name HA1 )) ( segid " " and resid 1592 and name HE2 ) ASSI { 2460} (( segid " " and resid 1567 and name HA )) (( segid " " and resid 1548 and name HA )) 2.400 0.700 0.700 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.40972E-02 ppm1 5.211 ppm2 4.671 CV 1 ASSI { 2469} (( segid " " and resid 1572 and name HA )) (( segid " " and resid 1572 and name HN )) 2.900 1.000 1.000 peak 2469 spectrum 1 weight 0.11000E+01 volume 0.12952E-02 ppm1 3.846 ppm2 7.607 CV 1 ASSI { 2473} (( segid " " and resid 1543 and name HA )) (( segid " " and resid 1544 and name HN )) 3.800 1.800 1.400 peak 2473 spectrum 1 weight 0.11000E+01 volume 0.12796E-02 ppm1 4.294 ppm2 8.426 CV 1 ASSI { 2474} (( segid " " and resid 1576 and name HA )) ( segid " " and resid 1577 and name HB% ) 4.300 2.300 1.700 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.16877E-02 ppm1 4.298 ppm2 0.673 CV 1 ASSI { 2477} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1612 and name HN )) 3.200 1.300 1.300 peak 2477 spectrum 1 weight 0.11000E+01 volume 0.12000E-02 ppm1 5.998 ppm2 9.675 CV 1 ASSI { 2481} (( segid " " and resid 1589 and name HA )) (( segid " " and resid 1589 and name HG1 )) 3.500 1.700 1.700 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 6.018 ppm2 2.166 CV 1 ASSI { 2483} (( segid " " and resid 1592 and name HA )) ( segid " " and resid 1592 and name HD% ) 3.000 1.000 1.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.17543E-02 ppm1 5.291 ppm2 6.854 CV 1 ASSI { 2487} (( segid " " and resid 1607 and name HA )) (( segid " " and resid 1607 and name HB1 )) 2.200 0.600 0.600 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.68507E-02 ppm1 5.175 ppm2 1.994 CV 1 OR { 2487} (( segid " " and resid 1607 and name HA )) (( segid " " and resid 1607 and name HB2 )) ASSI { 2495} (( segid " " and resid 1612 and name HA )) (( segid " " and resid 1612 and name HB2 )) 3.200 1.200 1.200 peak 2495 spectrum 1 weight 0.11000E+01 volume 0.14742E-02 ppm1 5.412 ppm2 2.452 CV 1 ASSI { 2497} (( segid " " and resid 1612 and name HA )) (( segid " " and resid 1612 and name HB1 )) 2.500 2.500 3.500 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.16452E-02 ppm1 5.412 ppm2 2.777 CV 1 ASSI { 2498} (( segid " " and resid 1612 and name HA )) ( segid " " and resid 1613 and name HG1%) 4.500 1.500 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.19741E-02 ppm1 5.422 ppm2 0.699 CV 1 ASSI { 2501} (( segid " " and resid 1627 and name HA )) (( segid " " and resid 1627 and name HN )) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.11000E+01 volume 0.14718E-02 ppm1 4.209 ppm2 9.277 CV 1 ASSI { 2506} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1627 and name HG12)) 3.300 1.000 1.000 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 5.772 ppm2 1.418 CV 1 OR { 2506} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1627 and name HG11)) ASSI { 2507} (( segid " " and resid 1638 and name HA )) (( segid " " and resid 1638 and name HB1 )) 2.800 0.900 0.900 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.10368E-02 ppm1 5.780 ppm2 2.858 CV 1 ASSI { 2508} (( segid " " and resid 1639 and name HA )) (( segid " " and resid 1639 and name HN )) 3.100 1.200 1.200 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.11458E-02 ppm1 5.494 ppm2 9.365 CV 1 ASSI { 2515} ( segid " " and resid 1606 and name HE% ) (( segid " " and resid 1599 and name HD1 )) 3.300 1.200 1.200 peak 2515 spectrum 1 weight 0.11000E+01 volume 0.23015E-02 ppm1 6.800 ppm2 4.158 CV 1 ASSI { 2526} ( segid " " and resid 1574 and name HG2%) ( segid " " and resid 1638 and name HD% ) 4.800 1.200 1.200 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 0.450 ppm2 7.142 CV 1 ASSI { 2527} ( segid " " and resid 1574 and name HG2%) (( segid " " and resid 1608 and name HB1 )) 3.700 1.700 1.700 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 0.452 ppm2 3.732 CV 1 ASSI { 2529} ( segid " " and resid 1526 and name HD2%) (( segid " " and resid 1517 and name HE21)) 4.200 2.200 1.800 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.13519E-02 ppm1 0.674 ppm2 6.729 CV 1 ASSI { 2532} (( segid " " and resid 1596 and name HB1 )) (( segid " " and resid 1573 and name HB2 )) 4.000 2.000 2.000 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 4.373 ppm2 3.760 CV 1 ASSI { 2537} ( segid " " and resid 1550 and name HE% ) (( segid " " and resid 1610 and name HG11)) 2.800 0.700 1.500 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.67748E-02 ppm1 0.777 ppm2 1.162 CV 1 ASSI { 2538} ( segid " " and resid 1550 and name HE% ) ( segid " " and resid 1610 and name HD1%) 3.300 1.000 1.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.16588E-01 ppm1 0.777 ppm2 0.197 CV 1 ASSI { 2544} ( segid " " and resid 1645 and name HB% ) (( segid " " and resid 1588 and name HG )) 3.800 1.000 1.500 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.44145E-02 ppm1 1.187 ppm2 1.388 CV 1 ASSI { 2557} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1578 and name HN )) 5.200 1.200 0.800 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 1.130 ppm2 6.991 CV 1 ASSI { 2558} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1590 and name HA )) 3.900 1.900 1.900 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.13448E-02 ppm1 1.130 ppm2 4.872 CV 1 ASSI { 2559} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1553 and name HA )) 4.000 2.200 1.200 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.13347E-02 ppm1 1.128 ppm2 4.556 CV 1 ASSI { 2560} ( segid " " and resid 1590 and name HD2%) (( segid " " and resid 1552 and name HA )) 4.000 0.600 1.300 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.14110E-02 ppm1 1.134 ppm2 4.198 CV 1 ASSI { 2561} ( segid " " and resid 1590 and name HD2%) ( segid " " and resid 1581 and name HD2%) 3.800 1.300 1.500 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.35034E-02 ppm1 1.132 ppm2 0.703 CV 1 ASSI { 2562} ( segid " " and resid 1604 and name HD2%) (( segid " " and resid 1633 and name HB )) 3.900 1.000 1.300 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.31891E-02 ppm1 0.892 ppm2 4.446 CV 1 ASSI { 2563} ( segid " " and resid 1636 and name HD1%) ( segid " " and resid 1567 and name HE1 ) 4.000 1.300 1.300 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.14998E-02 ppm1 0.738 ppm2 6.496 CV 1 OR { 2563} ( segid " " and resid 1636 and name HD1%) ( segid " " and resid 1567 and name HE2 ) ASSI { 2564} ( segid " " and resid 1636 and name HD1%) (( segid " " and resid 1636 and name HA )) 4.000 2.200 1.000 peak 2564 spectrum 1 weight 0.11000E+01 volume 0.12668E-02 ppm1 0.736 ppm2 4.681 CV 1 ASSI { 2568} ( segid " " and resid 1532 and name HD1%) (( segid " " and resid 1532 and name HN )) 4.000 2.200 1.000 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 0.056 ppm2 8.047 CV 1 ASSI { 2572} ( segid " " and resid 1644 and name HD2%) (( segid " " and resid 1644 and name HB2 )) 2.800 1.100 1.100 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.81491E-02 ppm1 0.974 ppm2 1.409 CV 1 ASSI { 2579} (( segid " " and resid 1623 and name HG1 )) (( segid " " and resid 1623 and name HB1 )) 3.100 1.500 1.000 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.59003E-02 ppm1 1.671 ppm2 1.930 CV 1 ASSI { 2585} (( segid " " and resid 1550 and name HG2 )) (( segid " " and resid 1550 and name HN )) 3.800 1.800 1.800 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.11559E-02 ppm1 2.132 ppm2 8.806 CV 1 ASSI { 1114} ( segid " " and resid 1532 and name HD1%) ( segid " " and resid 1644 and name HD1%) 3.500 1.800 1.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.17717E-02 ppm1 0.052 ppm2 0.976 CV 1 ASSI { 2599} ( segid " " and resid 1578 and name HA ) ( segid " " and resid 1579 and name HN ) 2.800 1.200 0.800 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.17717E-02 ppm1 0.052 ppm2 0.976 CV 1 ASSI { 2574} ( segid " " and resid 1529 and name HB1 ) ( segid " " and resid 1529 and name HD2%) 3.300 1.800 1.000 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI { 2573} ( segid " " and resid 1529 and name HB2 ) ( segid " " and resid 1529 and name HD2%) 3.800 1.800 1.000 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI { 811} ( segid " " and resid 1529 and name HB1 ) ( segid " " and resid 1529 and name HD1%) 3.800 1.800 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI { 812} ( segid " " and resid 1529 and name HB2 ) ( segid " " and resid 1529 and name HD1%) 3.800 1.800 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 !!Y1592 HH ASSI {1625} ( segid " " and resid 1553 and name HN ) ( segid " " and resid 1592 and name HH ) 3.500 1.500 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI {5389} ( segid " " and resid 1552 and name HA ) ( segid " " and resid 1592 and name HH ) 3.300 1.500 1.000 peak 5389 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI {5458} ( segid " " and resid 1590 and name HD1%) ( segid " " and resid 1592 and name HH ) 4.000 2.200 2.000 peak 5458 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI {5460} ( segid " " and resid 1577 and name HB% ) ( segid " " and resid 1592 and name HH ) 4.000 2.200 2.000 peak 5460 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI {5461} ( segid " " and resid 1552 and name HG2%) ( segid " " and resid 1592 and name HH ) 4.500 0.900 1.500 peak 5461 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1 ASSI {1510} ( segid " " and resid 1578 and name HN ) ( segid " " and resid 1592 and name HH ) 4.500 2.500 1.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.062 ppm2 1.130 CV 1
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