NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
10068 | 1p7a | 5851 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 9} (( segid " " and resid 3 and name HB )) (( segid " " and resid 3 and name HN )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.12325E-02 ppm1 4.258 ppm2 8.521 CV 1 ASSI { 10} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HN )) 3.600 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.37530E-03 ppm1 1.230 ppm2 8.521 CV 1 ASSI { 14} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.300 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.60068E-02 ppm1 4.349 ppm2 8.615 CV 1 ASSI { 15} (( segid " " and resid 4 and name HD3 )) (( segid " " and resid 4 and name HN )) 4.200 2.200 2.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16303E-03 ppm1 3.207 ppm2 8.614 CV 1 OR { 15} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HN )) ASSI { 16} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.34022E-03 ppm1 1.880 ppm2 8.622 CV 1 ASSI { 17} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HN )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 1.785 ppm2 8.621 CV 1 ASSI { 18} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.20360E-02 ppm1 1.664 ppm2 8.618 CV 1 OR { 18} (( segid " " and resid 4 and name HG3 )) (( segid " " and resid 4 and name HN )) ASSI { 19} (( segid " " and resid 4 and name HD3 )) (( segid " " and resid 4 and name HB2 )) 2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.19159E-02 ppm1 3.206 ppm2 1.882 CV 1 OR { 19} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HB2 )) ASSI { 21} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HG2 )) 2.900 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 3.203 ppm2 1.667 CV 1 OR { 21} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HG3 )) OR { 21} (( segid " " and resid 4 and name HD3 )) (( segid " " and resid 4 and name HG2 )) ASSI { 22} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 4.352 ppm2 1.875 CV 1 ASSI { 23} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG3 )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16647E-02 ppm1 4.352 ppm2 1.669 CV 1 OR { 23} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG2 )) ASSI { 24} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB3 )) 2.600 0.800 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.28654E-02 ppm1 4.352 ppm2 1.794 CV 1 ASSI { 28} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HG2 )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.21817E-02 ppm1 1.882 ppm2 1.674 CV 1 OR { 28} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HG3 )) ASSI { 29} (( segid " " and resid 5 and name HA1 )) (( segid " " and resid 5 and name HN )) 2.300 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.59539E-02 ppm1 4.001 ppm2 8.610 CV 1 OR { 29} (( segid " " and resid 5 and name HA2 )) (( segid " " and resid 5 and name HN )) ASSI { 30} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.19099E-02 ppm1 3.932 ppm2 8.417 CV 1 ASSI { 31} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HN )) 2.600 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.27211E-02 ppm1 3.885 ppm2 8.416 CV 1 ASSI { 32} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.33427E-02 ppm1 4.562 ppm2 8.416 CV 1 ASSI { 33} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 2.900 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 4.560 ppm2 3.938 CV 1 ASSI { 34} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB3 )) 3.000 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 4.562 ppm2 3.874 CV 1 ASSI { 35} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.500 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.32698E-02 ppm1 4.400 ppm2 8.375 CV 1 ASSI { 37} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.29081E-02 ppm1 1.220 ppm2 8.375 CV 1 ASSI { 39} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB )) 3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.76451E-03 ppm1 4.399 ppm2 4.295 CV 1 ASSI { 42} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 8 and name HN )) 2.100 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.94488E-02 ppm1 3.953 ppm2 8.479 CV 1 OR { 42} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 8 and name HN )) ASSI { 43} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 0.846 ppm2 8.071 CV 1 ASSI { 44} (( segid " " and resid 9 and name HG13)) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33261E-02 ppm1 1.150 ppm2 8.072 CV 1 ASSI { 45} (( segid " " and resid 9 and name HG12)) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.28601E-02 ppm1 1.432 ppm2 8.071 CV 1 ASSI { 46} (( segid " " and resid 9 and name HB )) (( segid " " and resid 9 and name HN )) 2.100 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.99287E-02 ppm1 1.780 ppm2 8.071 CV 1 ASSI { 47} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.46201E-02 ppm1 4.048 ppm2 8.072 CV 1 ASSI { 48} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HD1%) 3.000 1.100 1.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11302E-02 ppm1 4.051 ppm2 0.843 CV 1 ASSI { 49} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG13)) 2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.24117E-02 ppm1 4.048 ppm2 1.150 CV 1 ASSI { 51} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB )) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.72215E-02 ppm1 4.048 ppm2 1.793 CV 1 ASSI { 52} (( segid " " and resid 9 and name HG12)) ( segid " " and resid 9 and name HD1%) 2.200 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.74862E-02 ppm1 1.429 ppm2 0.841 CV 1 ASSI { 53} (( segid " " and resid 9 and name HB )) ( segid " " and resid 9 and name HD1%) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.40674E-02 ppm1 1.784 ppm2 0.842 CV 1 ASSI { 54} (( segid " " and resid 9 and name HB )) (( segid " " and resid 9 and name HG13)) 2.800 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.19775E-02 ppm1 1.783 ppm2 1.142 CV 1 ASSI { 55} (( segid " " and resid 9 and name HG12)) (( segid " " and resid 9 and name HG13)) 1.900 0.500 0.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.16819E-01 ppm1 1.432 ppm2 1.147 CV 1 ASSI { 56} (( segid " " and resid 9 and name HB )) (( segid " " and resid 9 and name HG12)) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.34618E-02 ppm1 1.784 ppm2 1.430 CV 1 ASSI { 57} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.600 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.26318E-02 ppm1 4.491 ppm2 8.504 CV 1 ASSI { 58} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HN )) 4.000 2.000 2.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19857E-03 ppm1 1.336 ppm2 8.497 CV 1 ASSI { 60} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HN )) 4.000 2.100 2.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.19543E-03 ppm1 1.270 ppm2 8.500 CV 1 ASSI { 61} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HN )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.22773E-03 ppm1 1.617 ppm2 8.492 CV 1 ASSI { 63} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HD2 )) 3.400 1.400 1.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.60730E-03 ppm1 4.493 ppm2 1.602 CV 1 ASSI { 64} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB3 )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.74300E-02 ppm1 4.493 ppm2 1.525 CV 1 OR { 64} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 65} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) 2.600 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.30478E-02 ppm1 4.493 ppm2 1.335 CV 1 ASSI { 67} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HG2 )) 2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.47095E-02 ppm1 1.522 ppm2 1.342 CV 1 ASSI { 68} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG3 )) 2.300 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.57123E-02 ppm1 1.523 ppm2 1.263 CV 1 OR { 68} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HG3 )) ASSI { 69} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG3 )) 3.300 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.71884E-03 ppm1 1.617 ppm2 1.262 CV 1 ASSI { 70} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG2 )) 3.100 1.200 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.90715E-03 ppm1 1.616 ppm2 1.349 CV 1 ASSI { 71} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HB3 )) 2.300 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.54012E-02 ppm1 1.351 ppm2 1.271 CV 1 ASSI { 72} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) 2.600 2.600 3.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.27085E-02 ppm1 3.745 ppm2 2.029 CV 1 ASSI { 73} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 3.657 ppm2 2.025 CV 1 ASSI { 74} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HG2 )) 2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.41700E-02 ppm1 3.658 ppm2 1.879 CV 1 ASSI { 75} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23518E-02 ppm1 3.746 ppm2 1.878 CV 1 ASSI { 76} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG3 )) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.21737E-02 ppm1 3.742 ppm2 1.797 CV 1 ASSI { 77} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HG3 )) 2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.33493E-02 ppm1 3.657 ppm2 1.797 CV 1 ASSI { 80} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB3 )) 2.600 2.600 3.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25623E-02 ppm1 3.743 ppm2 1.269 CV 1 ASSI { 81} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HB3 )) 2.600 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 3.655 ppm2 1.268 CV 1 ASSI { 83} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.85817E-02 ppm1 4.233 ppm2 2.025 CV 1 ASSI { 84} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.600 2.600 3.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 4.233 ppm2 1.879 CV 1 ASSI { 85} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG3 )) 2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16799E-02 ppm1 4.234 ppm2 1.795 CV 1 ASSI { 86} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.46830E-02 ppm1 4.234 ppm2 1.273 CV 1 ASSI { 87} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD3 )) 3.100 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 4.234 ppm2 3.663 CV 1 ASSI { 89} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HD3 )) 2.000 0.500 0.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.11683E-01 ppm1 3.742 ppm2 3.662 CV 1 ASSI { 90} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB3 )) 1.900 0.500 0.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.16263E-01 ppm1 2.013 ppm2 1.268 CV 1 ASSI { 91} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB3 )) 2.600 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 1.880 ppm2 1.268 CV 1 ASSI { 93} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG3 )) 2.600 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.27218E-02 ppm1 2.015 ppm2 1.794 CV 1 ASSI { 94} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.33261E-02 ppm1 2.014 ppm2 1.876 CV 1 ASSI { 95} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HG3 )) 1.900 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.17557E-01 ppm1 1.875 ppm2 1.800 CV 1 ASSI { 100} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.44811E-02 ppm1 4.700 ppm2 8.231 CV 1 ASSI { 101} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.100 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.90417E-02 ppm1 3.022 ppm2 8.230 CV 1 ASSI { 102} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) 2.100 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.88663E-02 ppm1 4.704 ppm2 3.027 CV 1 OR { 102} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 104} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 13 and name HN )) 2.700 2.700 3.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 2.177 ppm2 8.667 CV 1 ASSI { 105} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16482E-02 ppm1 2.296 ppm2 8.667 CV 1 ASSI { 113} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.24405E-02 ppm1 4.329 ppm2 8.667 CV 1 ASSI { 119} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG2 )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 4.329 ppm2 2.308 CV 1 ASSI { 120} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG3 )) 2.600 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 4.328 ppm2 2.179 CV 1 ASSI { 121} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB3 )) 2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.51497E-02 ppm1 4.327 ppm2 2.053 CV 1 OR { 121} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 122} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HB3 )) 1.700 0.300 0.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.41303E-01 ppm1 2.180 ppm2 2.057 CV 1 ASSI { 123} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HB2 )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.95779E-02 ppm1 2.305 ppm2 2.053 CV 1 OR { 123} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HB3 )) ASSI { 124} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HG3 )) 1.900 0.400 0.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.19831E-01 ppm1 2.304 ppm2 2.178 CV 1 ASSI { 125} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 14 and name HN )) 2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.67846E-02 ppm1 2.808 ppm2 8.995 CV 1 ASSI { 127} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.35214E-02 ppm1 4.774 ppm2 8.995 CV 1 ASSI { 128} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.800 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.19814E-02 ppm1 4.773 ppm2 3.577 CV 1 ASSI { 129} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB3 )) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.46698E-02 ppm1 4.773 ppm2 2.805 CV 1 ASSI { 130} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB3 )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.13788E-01 ppm1 3.580 ppm2 2.805 CV 1 ASSI { 133} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HG2 )) 2.400 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.47360E-02 ppm1 4.119 ppm2 2.092 CV 1 OR { 133} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HG3 )) ASSI { 134} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HG3 )) 2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.34287E-02 ppm1 4.294 ppm2 2.095 CV 1 ASSI { 136} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HB3 )) 2.600 2.600 3.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.26811E-02 ppm1 4.295 ppm2 2.026 CV 1 ASSI { 138} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG2 )) 2.300 2.300 3.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.54773E-02 ppm1 4.656 ppm2 2.097 CV 1 OR { 138} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG3 )) ASSI { 139} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB3 )) 2.100 0.500 0.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11163E-01 ppm1 4.657 ppm2 2.027 CV 1 ASSI { 140} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HD3 )) 3.500 1.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.47128E-03 ppm1 4.655 ppm2 4.126 CV 1 ASSI { 141} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HD3 )) 2.100 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.94885E-02 ppm1 4.283 ppm2 4.126 CV 1 ASSI { 143} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.300 0.700 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.55435E-02 ppm1 4.797 ppm2 9.293 CV 1 ASSI { 144} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.43057E-02 ppm1 2.085 ppm2 9.294 CV 1 ASSI { 145} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.35114E-02 ppm1 1.456 ppm2 9.294 CV 1 ASSI { 147} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.37233E-02 ppm1 4.794 ppm2 1.466 CV 1 ASSI { 149} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.38821E-02 ppm1 4.913 ppm2 7.849 CV 1 ASSI { 150} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 3.278 ppm2 7.849 CV 1 ASSI { 151} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10458E-02 ppm1 3.349 ppm2 7.849 CV 1 ASSI { 152} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.200 2.200 3.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.71122E-02 ppm1 4.913 ppm2 3.348 CV 1 ASSI { 153} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.300 0.600 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.63411E-02 ppm1 4.913 ppm2 3.278 CV 1 ASSI { 154} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.60499E-02 ppm1 4.608 ppm2 8.240 CV 1 ASSI { 155} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.43620E-02 ppm1 2.854 ppm2 8.240 CV 1 ASSI { 156} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.47360E-02 ppm1 2.761 ppm2 8.237 CV 1 ASSI { 157} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) 2.100 2.100 3.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10001E-01 ppm1 4.608 ppm2 2.841 CV 1 ASSI { 158} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB3 )) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.50074E-02 ppm1 4.609 ppm2 2.762 CV 1 ASSI { 159} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HB3 )) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.33129E-02 ppm1 2.846 ppm2 2.760 CV 1 ASSI { 163} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.46896E-02 ppm1 4.096 ppm2 8.732 CV 1 ASSI { 164} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HN )) 2.600 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.27347E-02 ppm1 1.734 ppm2 8.732 CV 1 ASSI { 167} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HE )) 3.000 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.11021E-02 ppm1 1.734 ppm2 7.212 CV 1 ASSI { 168} (( segid " " and resid 19 and name HG3 )) (( segid " " and resid 19 and name HE )) 3.200 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.75458E-03 ppm1 1.687 ppm2 7.212 CV 1 ASSI { 169} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HE )) 2.800 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18398E-02 ppm1 1.273 ppm2 7.210 CV 1 ASSI { 170} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HE )) 2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 1.357 ppm2 7.211 CV 1 ASSI { 173} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 20 and name HN )) 2.900 2.900 3.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 3.580 ppm2 7.720 CV 1 ASSI { 174} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 6.000 4.500 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.10174E-35 ppm1 3.759 ppm2 7.723 CV 1 ASSI { 175} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.56262E-02 ppm1 5.147 ppm2 3.763 CV 1 ASSI { 176} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.74961E-02 ppm1 5.145 ppm2 3.575 CV 1 ASSI { 177} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB3 )) 1.900 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.18457E-01 ppm1 3.767 ppm2 3.576 CV 1 ASSI { 189} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB3 )) 2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 4.938 ppm2 2.775 CV 1 ASSI { 190} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HB3 )) 2.300 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.61889E-02 ppm1 3.675 ppm2 2.776 CV 1 ASSI { 198} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.32526E-02 ppm1 4.699 ppm2 9.831 CV 1 ASSI { 199} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.28505E-02 ppm1 4.183 ppm2 9.830 CV 1 ASSI { 200} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HN )) 2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.29806E-02 ppm1 4.092 ppm2 9.832 CV 1 ASSI { 202} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB3 )) 2.600 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.26708E-02 ppm1 4.703 ppm2 4.090 CV 1 ASSI { 203} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.17898E-02 ppm1 4.704 ppm2 4.183 CV 1 ASSI { 205} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HN )) 2.600 2.600 3.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.29071E-02 ppm1 1.450 ppm2 7.536 CV 1 ASSI { 206} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 23 and name HN )) 2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.18252E-02 ppm1 1.613 ppm2 7.538 CV 1 ASSI { 207} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.20837E-02 ppm1 2.065 ppm2 7.535 CV 1 ASSI { 208} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.43256E-02 ppm1 4.657 ppm2 7.547 CV 1 ASSI { 209} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HE )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 1.174 ppm2 8.099 CV 1 ASSI { 210} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HE )) 3.100 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 1.453 ppm2 8.101 CV 1 ASSI { 211} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 23 and name HE )) 2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 1.616 ppm2 8.101 CV 1 ASSI { 212} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HE )) 2.400 2.400 3.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.45705E-02 ppm1 2.062 ppm2 8.094 CV 1 ASSI { 215} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG3 )) 2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.37994E-02 ppm1 4.656 ppm2 1.613 CV 1 ASSI { 216} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.600 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.25629E-02 ppm1 4.655 ppm2 1.443 CV 1 ASSI { 217} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB3 )) 2.700 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 4.655 ppm2 1.165 CV 1 ASSI { 218} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HG3 )) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 2.061 ppm2 1.612 CV 1 ASSI { 221} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HB3 )) 2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.47260E-02 ppm1 1.443 ppm2 1.167 CV 1 ASSI { 222} (( segid " " and resid 27 and name HG )) ( segid " " and resid 27 and name HD1%) 2.200 0.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.70692E-02 ppm1 1.608 ppm2 1.153 CV 1 ASSI { 224} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.47625E-02 ppm1 3.441 ppm2 8.674 CV 1 ASSI { 225} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.28796E-02 ppm1 3.112 ppm2 8.674 CV 1 ASSI { 228} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD2 )) 3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.39582E-03 ppm1 4.651 ppm2 3.180 CV 1 ASSI { 229} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HB3 )) 1.900 0.400 0.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.19914E-01 ppm1 3.439 ppm2 3.152 CV 1 ASSI { 230} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HA )) 2.100 2.100 3.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11458E-01 ppm1 3.440 ppm2 3.104 CV 1 ASSI { 231} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.24322E-02 ppm1 3.150 ppm2 8.677 CV 1 ASSI { 232} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.69468E-02 ppm1 4.329 ppm2 8.894 CV 1 ASSI { 233} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.300 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.54641E-02 ppm1 2.761 ppm2 8.894 CV 1 ASSI { 234} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HN )) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.48154E-02 ppm1 2.645 ppm2 8.895 CV 1 ASSI { 235} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.100 2.100 3.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.99651E-02 ppm1 4.329 ppm2 2.760 CV 1 ASSI { 237} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.42693E-02 ppm1 4.411 ppm2 7.427 CV 1 ASSI { 238} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.20380E-02 ppm1 3.397 ppm2 7.438 CV 1 ASSI { 239} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.24047E-02 ppm1 3.267 ppm2 7.438 CV 1 ASSI { 240} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HD2 )) 2.900 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 3.272 ppm2 7.051 CV 1 ASSI { 241} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HD2 )) 3.200 1.300 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.82838E-03 ppm1 3.388 ppm2 7.048 CV 1 ASSI { 243} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.45705E-02 ppm1 4.399 ppm2 3.391 CV 1 ASSI { 246} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.300 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.51695E-02 ppm1 3.321 ppm2 7.200 CV 1 ASSI { 247} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 3.300 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.71122E-03 ppm1 1.942 ppm2 7.206 CV 1 ASSI { 248} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 3.323 ppm2 1.941 CV 1 ASSI { 249} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HN )) 6.000 4.500 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10174E-35 ppm1 1.382 ppm2 7.201 CV 1 ASSI { 250} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB3 )) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.34949E-02 ppm1 3.327 ppm2 1.384 CV 1 ASSI { 255} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD2%) 2.300 2.300 3.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.51927E-02 ppm1 3.322 ppm2 1.069 CV 1 ASSI { 258} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD2%) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.30974E-02 ppm1 1.944 ppm2 1.072 CV 1 ASSI { 259} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD1%) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16445E-02 ppm1 1.945 ppm2 1.151 CV 1 ASSI { 260} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB3 )) 2.300 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.53648E-02 ppm1 1.943 ppm2 1.384 CV 1 ASSI { 261} (( segid " " and resid 27 and name HG )) ( segid " " and resid 27 and name HD2%) 2.300 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.60432E-02 ppm1 1.605 ppm2 1.071 CV 1 ASSI { 262} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 27 and name HD2%) 2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.50405E-02 ppm1 1.385 ppm2 1.071 CV 1 ASSI { 263} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 27 and name HD1%) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 1.382 ppm2 1.138 CV 1 ASSI { 276} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HE )) 2.300 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.51265E-02 ppm1 3.132 ppm2 7.203 CV 1 ASSI { 277} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HE )) 2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.28753E-02 ppm1 3.050 ppm2 7.210 CV 1 ASSI { 279} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HD3 )) 2.600 2.600 3.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.31341E-02 ppm1 4.094 ppm2 3.058 CV 1 ASSI { 280} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HG2 )) 2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.31454E-02 ppm1 3.051 ppm2 1.738 CV 1 ASSI { 281} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HG3 )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.24554E-02 ppm1 3.056 ppm2 1.680 CV 1 ASSI { 282} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HG2 )) 2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 3.135 ppm2 1.738 CV 1 ASSI { 283} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HG3 )) 2.600 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31332E-02 ppm1 3.133 ppm2 1.682 CV 1 ASSI { 284} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HB2 )) 3.000 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 3.130 ppm2 1.357 CV 1 ASSI { 285} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HB2 )) 2.900 2.900 3.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 3.052 ppm2 1.357 CV 1 ASSI { 286} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HB3 )) 2.800 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.17365E-02 ppm1 3.042 ppm2 1.268 CV 1 ASSI { 287} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HB3 )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.77741E-03 ppm1 3.135 ppm2 1.268 CV 1 ASSI { 289} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 37 and name HN )) 3.300 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.71155E-03 ppm1 0.926 ppm2 7.759 CV 1 ASSI { 291} (( segid " " and resid 37 and name HB )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.17349E-02 ppm1 2.106 ppm2 7.761 CV 1 ASSI { 292} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB )) 3.900 1.900 1.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.23690E-03 ppm1 4.071 ppm2 2.109 CV 1 ASSI { 293} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HG1%) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 4.071 ppm2 0.918 CV 1 ASSI { 295} (( segid " " and resid 37 and name HB )) ( segid " " and resid 37 and name HG1%) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.23958E-02 ppm1 2.094 ppm2 0.916 CV 1 ASSI { 296} (( segid " " and resid 37 and name HB )) ( segid " " and resid 37 and name HG2%) 2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.26834E-02 ppm1 2.098 ppm2 0.894 CV 1 ASSI { 297} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 28 and name HN )) 1.900 0.400 0.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.18937E-01 ppm1 1.429 ppm2 7.995 CV 1 ASSI { 298} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.300 0.600 0.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.62683E-02 ppm1 3.959 ppm2 7.995 CV 1 ASSI { 299} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HB% ) 1.900 0.500 0.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.17617E-01 ppm1 3.955 ppm2 1.437 CV 1 ASSI { 300} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HN )) 3.500 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.43885E-03 ppm1 0.938 ppm2 8.242 CV 1 ASSI { 301} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.79694E-03 ppm1 0.892 ppm2 8.241 CV 1 ASSI { 302} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.48915E-02 ppm1 4.440 ppm2 8.242 CV 1 ASSI { 303} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HN )) 2.400 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.41634E-02 ppm1 1.687 ppm2 8.241 CV 1 OR { 303} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) ASSI { 304} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.300 0.700 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.51364E-02 ppm1 4.423 ppm2 1.686 CV 1 ASSI { 305} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HG )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.39682E-02 ppm1 4.422 ppm2 1.619 CV 1 ASSI { 307} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD2%) 2.200 2.200 3.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.82011E-02 ppm1 4.422 ppm2 0.888 CV 1 ASSI { 308} (( segid " " and resid 36 and name HG )) ( segid " " and resid 36 and name HD1%) 2.600 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 1.654 ppm2 0.942 CV 1 ASSI { 309} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 36 and name HD1%) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.22207E-02 ppm1 1.688 ppm2 0.943 CV 1 ASSI { 310} (( segid " " and resid 36 and name HB3 )) ( segid " " and resid 36 and name HD2%) 2.100 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.93197E-02 ppm1 1.686 ppm2 0.882 CV 1 ASSI { 312} (( segid " " and resid 36 and name HG )) (( segid " " and resid 36 and name HN )) 2.300 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.51265E-02 ppm1 1.651 ppm2 8.240 CV 1 ASSI { 313} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HN )) 2.200 2.200 3.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.72347E-02 ppm1 2.061 ppm2 7.649 CV 1 ASSI { 314} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.35876E-02 ppm1 2.181 ppm2 7.650 CV 1 ASSI { 315} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 2.576 ppm2 7.650 CV 1 ASSI { 316} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.17041E-02 ppm1 2.648 ppm2 7.649 CV 1 ASSI { 317} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 4.493 ppm2 7.649 CV 1 ASSI { 318} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG2 )) 3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.94355E-03 ppm1 4.491 ppm2 2.664 CV 1 ASSI { 319} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG3 )) 2.600 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.27456E-02 ppm1 4.492 ppm2 2.583 CV 1 ASSI { 320} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.300 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.58612E-02 ppm1 4.492 ppm2 2.190 CV 1 ASSI { 321} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB3 )) 2.600 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.27314E-02 ppm1 4.492 ppm2 2.057 CV 1 ASSI { 323} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB2 )) 2.600 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.25553E-02 ppm1 2.656 ppm2 2.177 CV 1 ASSI { 324} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HG2 )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.20817E-02 ppm1 2.665 ppm2 2.061 CV 1 ASSI { 325} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.23673E-02 ppm1 2.575 ppm2 2.181 CV 1 ASSI { 327} (( segid " " and resid 9 and name HG13)) ( segid " " and resid 9 and name HD1%) 2.200 0.600 0.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.77841E-02 ppm1 1.149 ppm2 0.841 CV 1 ASSI { 328} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HD2 )) 2.500 0.800 0.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.37497E-02 ppm1 2.928 ppm2 1.602 CV 1 OR { 328} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HD2 )) ASSI { 329} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HB2 )) 3.000 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 2.926 ppm2 1.511 CV 1 OR { 329} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HB2 )) OR { 329} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HB3 )) ASSI { 330} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG2 )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.34188E-02 ppm1 2.927 ppm2 1.354 CV 1 OR { 330} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HG2 )) ASSI { 331} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HG3 )) 2.500 0.800 0.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.36868E-02 ppm1 2.926 ppm2 1.269 CV 1 OR { 331} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG3 )) ASSI { 332} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.18391E-02 ppm1 3.180 ppm2 7.404 CV 1 ASSI { 333} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.21823E-02 ppm1 3.274 ppm2 7.404 CV 1 ASSI { 334} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.27572E-02 ppm1 4.696 ppm2 7.397 CV 1 ASSI { 335} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB3 )) 2.500 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.31385E-02 ppm1 4.703 ppm2 3.191 CV 1 ASSI { 337} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HE )) 2.300 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.57752E-02 ppm1 3.087 ppm2 7.277 CV 1 OR { 337} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HE )) ASSI { 339} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22435E-02 ppm1 1.570 ppm2 7.755 CV 1 OR { 339} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HN )) ASSI { 340} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.26132E-02 ppm1 1.499 ppm2 7.755 CV 1 ASSI { 341} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 1.429 ppm2 7.755 CV 1 ASSI { 342} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HE )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11511E-02 ppm1 1.435 ppm2 7.283 CV 1 ASSI { 344} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HE )) 3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.92734E-03 ppm1 1.572 ppm2 7.282 CV 1 OR { 344} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HE )) ASSI { 347} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG2 )) 3.300 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.63808E-03 ppm1 3.089 ppm2 1.566 CV 1 OR { 347} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG2 )) OR { 347} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG3 )) OR { 347} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG3 )) ASSI { 348} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.34088E-02 ppm1 3.090 ppm2 1.496 CV 1 OR { 348} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HB2 )) ASSI { 349} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HB3 )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.24014E-02 ppm1 3.089 ppm2 1.426 CV 1 OR { 349} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HB3 )) ASSI { 350} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG3 )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 4.069 ppm2 1.573 CV 1 OR { 350} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG2 )) ASSI { 351} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.200 2.200 3.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.84162E-02 ppm1 4.070 ppm2 1.508 CV 1 ASSI { 352} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB3 )) 2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.44514E-02 ppm1 4.065 ppm2 1.436 CV 1 ASSI { 356} (( segid " " and resid 32 and name HE2 )) ( segid " " and resid 32 and name HZ% ) 3.200 3.200 2.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.86479E-03 ppm1 2.973 ppm2 7.643 CV 1 OR { 356} (( segid " " and resid 32 and name HE3 )) ( segid " " and resid 32 and name HZ% ) ASSI { 359} (( segid " " and resid 32 and name HD3 )) ( segid " " and resid 32 and name HZ% ) 2.900 1.100 1.100 peak 359 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 1.691 ppm2 7.651 CV 1 OR { 359} (( segid " " and resid 32 and name HD2 )) ( segid " " and resid 32 and name HZ% ) ASSI { 360} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HN )) 2.200 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.81779E-02 ppm1 1.711 ppm2 7.295 CV 1 ASSI { 361} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HN )) 2.000 0.500 0.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.12652E-01 ppm1 1.897 ppm2 7.300 CV 1 ASSI { 362} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 32 and name HZ% ) 3.900 1.900 1.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.25523E-03 ppm1 1.526 ppm2 7.650 CV 1 OR { 362} (( segid " " and resid 32 and name HG3 )) ( segid " " and resid 32 and name HZ% ) ASSI { 365} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HE3 )) 3.000 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 4.049 ppm2 2.981 CV 1 OR { 365} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HE2 )) ASSI { 366} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB3 )) 2.000 0.500 0.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.12729E-01 ppm1 4.060 ppm2 1.898 CV 1 OR { 366} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) ASSI { 368} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HB3 )) 3.300 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.71288E-03 ppm1 2.972 ppm2 1.902 CV 1 OR { 368} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HB3 )) OR { 368} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HB2 )) OR { 368} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HB2 )) ASSI { 369} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HD2 )) 2.200 0.600 0.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.67052E-02 ppm1 2.976 ppm2 1.711 CV 1 OR { 369} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HD3 )) OR { 369} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HD2 )) ASSI { 370} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HG3 )) 2.500 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.31441E-02 ppm1 1.890 ppm2 1.512 CV 1 OR { 370} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HG3 )) OR { 370} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HG2 )) ASSI { 371} (( segid " " and resid 32 and name HD3 )) (( segid " " and resid 32 and name HG3 )) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.67085E-02 ppm1 1.708 ppm2 1.508 CV 1 OR { 371} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HG2 )) OR { 371} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HG3 )) ASSI { 372} (( segid " " and resid 4 and name HG3 )) (( segid " " and resid 4 and name HE )) 3.300 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.62153E-03 ppm1 1.665 ppm2 7.241 CV 1 OR { 372} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HE )) ASSI { 374} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HE )) 3.600 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.37166E-03 ppm1 1.892 ppm2 7.239 CV 1 ASSI { 375} (( segid " " and resid 4 and name HD3 )) (( segid " " and resid 4 and name HE )) 3.100 1.200 1.200 peak 375 spectrum 1 weight 0.10000E+01 volume 0.92568E-03 ppm1 3.206 ppm2 7.247 CV 1 OR { 375} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HE )) ASSI { 376} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HE )) 6.500 5.300 0.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.11153E-04 ppm1 4.355 ppm2 7.238 CV 1 ASSI { 378} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HN )) 2.100 0.500 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.11332E-01 ppm1 1.687 ppm2 7.493 CV 1 ASSI { 379} (( segid " " and resid 29 and name HG )) (( segid " " and resid 29 and name HN )) 2.300 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.63543E-02 ppm1 1.610 ppm2 7.492 CV 1 ASSI { 382} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 4.094 ppm2 1.356 CV 1 ASSI { 385} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.20605E-02 ppm1 4.048 ppm2 1.595 CV 1 ASSI { 386} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HE )) 3.100 1.200 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.99916E-03 ppm1 3.300 ppm2 8.035 CV 1 OR { 386} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HE )) ASSI { 387} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HE )) 3.300 1.400 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.62385E-03 ppm1 2.250 ppm2 8.024 CV 1 ASSI { 388} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HE )) 3.300 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.68839E-03 ppm1 2.318 ppm2 8.029 CV 1 ASSI { 393} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HG2 )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.37597E-02 ppm1 3.300 ppm2 2.325 CV 1 OR { 393} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HG2 )) ASSI { 394} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HG3 )) 2.400 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.41436E-02 ppm1 3.299 ppm2 2.256 CV 1 OR { 394} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HG3 )) ASSI { 395} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.33890E-02 ppm1 3.767 ppm2 8.585 CV 1 ASSI { 397} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HG3 )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.43322E-02 ppm1 2.669 ppm2 1.612 CV 1 ASSI { 399} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HB2 )) 2.200 2.200 3.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.70791E-02 ppm1 2.666 ppm2 1.443 CV 1 ASSI { 400} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HB3 )) 2.600 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 2.670 ppm2 1.167 CV 1 ASSI { 401} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HE )) 2.300 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.65430E-02 ppm1 2.670 ppm2 8.100 CV 1 ASSI { 402} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HE )) 2.400 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 3.182 ppm2 8.099 CV 1 ASSI { 403} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HN )) 3.600 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.37563E-03 ppm1 2.669 ppm2 7.535 CV 1 ASSI { 404} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG2 )) 3.100 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.92767E-03 ppm1 3.182 ppm2 2.074 CV 1 ASSI { 406} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HB2 )) 2.500 2.500 3.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.39847E-02 ppm1 3.182 ppm2 1.443 CV 1 ASSI { 409} (( segid " " and resid 9 and name HG12)) ( segid " " and resid 9 and name HG2%) 2.700 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 1.429 ppm2 0.869 CV 1 ASSI { 410} (( segid " " and resid 9 and name HB )) ( segid " " and resid 9 and name HG2%) 2.200 0.600 0.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.82342E-02 ppm1 1.782 ppm2 0.869 CV 1 ASSI { 411} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 9 and name HN )) 2.700 2.700 3.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.24358E-02 ppm1 0.869 ppm2 8.071 CV 1 ASSI { 412} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HD3 )) 2.600 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.25037E-02 ppm1 2.927 ppm2 1.486 CV 1 OR { 412} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HD3 )) ASSI { 416} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB3 )) 2.000 0.500 0.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.12295E-01 ppm1 2.153 ppm2 1.873 CV 1 ASSI { 417} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HB3 )) 3.100 1.200 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 2.247 ppm2 1.871 CV 1 ASSI { 418} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HB3 )) 2.500 0.800 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.38920E-02 ppm1 2.318 ppm2 1.870 CV 1 ASSI { 419} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HB2 )) 2.300 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.56229E-02 ppm1 3.299 ppm2 2.155 CV 1 ASSI { 420} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HB3 )) 2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.51166E-02 ppm1 3.304 ppm2 1.873 CV 1 ASSI { 421} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG2 )) 2.500 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.37001E-02 ppm1 3.767 ppm2 2.320 CV 1 ASSI { 423} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.39946E-02 ppm1 3.766 ppm2 2.152 CV 1 ASSI { 430} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG3 )) 2.600 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.27833E-02 ppm1 3.767 ppm2 2.254 CV 1 ASSI { 431} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HD3 )) 2.600 2.600 3.400 peak 431 spectrum 1 weight 0.10000E+01 volume 0.29465E-02 ppm1 3.767 ppm2 3.303 CV 1 OR { 431} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HD2 )) ASSI { 1123} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.900 1.000 1.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 3.674 ppm2 8.737 CV 1 ASSI { 1687} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 21 and name HZ )) 3.200 1.300 1.300 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.74961E-03 ppm1 1.149 ppm2 6.318 CV 1 ASSI { 1872} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HD3 )) 2.700 0.900 0.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 3.955 ppm2 3.307 CV 1 ASSI { 1873} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 31 and name HD2 )) 3.000 1.100 1.100 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 4.118 ppm2 3.302 CV 1 ASSI { 2050} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 27 and name HB2 )) 2.800 1.000 1.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.16680E-02 ppm1 3.019 ppm2 1.946 CV 1 ASSI { 2073} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG3 )) 2.400 0.700 0.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.42660E-02 ppm1 2.365 ppm2 2.085 CV 1 ASSI { 2076} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HB3 )) 2.000 0.500 0.500 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.14450E-01 ppm1 2.364 ppm2 2.022 CV 1 ASSI { 2248} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG3 )) 2.600 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.27320E-02 ppm1 3.183 ppm2 1.618 CV 1 ASSI { 2606} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 1.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 1.718 CV 1 OR { 2606} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD3 )) ASSI { 2783} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB3 )) 2.300 0.700 0.700 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.57189E-02 ppm1 4.092 ppm2 1.268 CV 1 ASSI { 2806} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.25695E-02 ppm1 4.944 ppm2 3.673 CV 1 ASSI { 2856} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 5.147 ppm2 7.720 CV 1 ASSI { 2894} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 4.936 ppm2 8.734 CV 1 ASSI { 2939} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.20450E-02 ppm1 4.056 ppm2 7.297 CV 1 ASSI { 2950} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 31 and name HD2 )) 2.500 0.800 0.800 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.31818E-02 ppm1 4.293 ppm2 3.306 CV 1 ASSI { 3041} (( segid " " and resid 21 and name HZ )) ( segid " " and resid 21 and name HD% ) 3.200 1.300 1.300 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 6.314 ppm2 7.414 CV 1 ASSI { 3043} ( segid " " and resid 21 and name HE% ) ( segid " " and resid 21 and name HD% ) 2.300 0.700 0.700 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.57487E-02 ppm1 6.887 ppm2 7.409 CV 1 ASSI { 3061} (( segid " " and resid 21 and name HZ )) ( segid " " and resid 21 and name HE% ) 2.000 0.500 0.500 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.11842E-01 ppm1 6.319 ppm2 6.895 CV 1 ASSI { 3072} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 16 and name HN )) 3.300 3.300 2.700 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.68210E-03 ppm1 6.759 ppm2 9.294 CV 1 ASSI { 3160} (( segid " " and resid 29 and name HG )) ( segid " " and resid 29 and name HD1%) 2.300 0.600 0.600 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.64073E-02 ppm1 1.597 ppm2 0.869 CV 1 OR { 3160} (( segid " " and resid 29 and name HG )) ( segid " " and resid 29 and name HD2%) ASSI { 3161} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 29 and name HD1%) 3.000 1.100 1.100 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.11895E-02 ppm1 1.694 ppm2 0.864 CV 1 OR { 3161} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 29 and name HD2%) OR { 3161} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 29 and name HD1%) ASSI { 3165} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD1%) 3.200 1.300 1.300 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.77311E-03 ppm1 4.422 ppm2 0.949 CV 1 ASSI { 3172} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.100 0.600 0.600 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.90450E-02 ppm1 4.657 ppm2 2.383 CV 1 ASSI { 3173} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HB2 )) 2.900 1.100 1.100 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.13606E-02 ppm1 4.294 ppm2 2.374 CV 1 ASSI { 3174} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HB2 )) 2.700 2.700 3.300 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.24845E-02 ppm1 4.119 ppm2 2.374 CV 1 ASSI { 3179} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HE )) 2.700 2.700 3.300 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.21165E-02 ppm1 2.148 ppm2 8.026 CV 1 ASSI { 3180} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HE )) 2.700 0.900 0.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 1.869 ppm2 8.034 CV 1 ASSI { 3181} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.500 0.800 0.800 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 4.190 ppm2 7.500 CV 1 ASSI { 3182} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 3.133 ppm2 7.499 CV 1 ASSI { 3183} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.45076E-02 ppm1 4.190 ppm2 3.142 CV 1 ASSI { 3184} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.200 2.200 3.800 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.80886E-02 ppm1 4.190 ppm2 2.920 CV 1 ASSI { 3223} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.100 2.100 3.900 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.90748E-02 ppm1 1.526 ppm2 8.500 CV 1 ASSI { 3225} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HN )) 2.100 0.600 0.600 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.87472E-02 ppm1 3.579 ppm2 8.997 CV 1 ASSI { 3271} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 27 and name HD1%) 2.600 2.600 3.400 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.29008E-02 ppm1 3.154 ppm2 1.151 CV 1 ASSI { 3312} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 22 and name HN )) 2.700 2.700 3.300 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 2.786 ppm2 9.830 CV 1 ASSI { 3313} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 22 and name HN )) 3.000 3.000 3.000 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.617 ppm2 9.830 CV 1 ASSI { 3314} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 22 and name HN )) 3.300 1.300 1.300 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.69137E-03 ppm1 1.500 ppm2 9.830 CV 1 ASSI { 3316} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 22 and name HN )) 3.600 1.600 1.600 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.40674E-03 ppm1 1.266 ppm2 9.830 CV 1 ASSI { 3317} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.31451E-03 ppm1 1.149 ppm2 9.830 CV 1 ASSI { 3319} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.61392E-03 ppm1 4.913 ppm2 9.293 CV 1 ASSI { 3321} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.19473E-02 ppm1 4.656 ppm2 9.293 CV 1 ASSI { 3323} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 16 and name HN )) 2.800 2.800 3.200 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 4.118 ppm2 9.293 CV 1 ASSI { 3324} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 16 and name HN )) 3.200 1.300 1.300 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.84195E-03 ppm1 3.580 ppm2 9.293 CV 1 ASSI { 3325} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.66026E-03 ppm1 3.300 ppm2 9.293 CV 1 ASSI { 3326} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 16 and name HN )) 3.100 1.200 1.200 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 2.786 ppm2 9.293 CV 1 ASSI { 3327} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) 3.200 1.300 1.300 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.82011E-03 ppm1 2.365 ppm2 9.293 CV 1 ASSI { 3332} (( segid " " and resid 20 and name HA )) (( segid " " and resid 14 and name HN )) 2.500 2.500 3.500 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.39086E-02 ppm1 5.147 ppm2 9.000 CV 1 ASSI { 3334} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 14 and name HN )) 3.200 3.200 2.800 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.80522E-03 ppm1 4.118 ppm2 9.000 CV 1 ASSI { 3337} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.38623E-02 ppm1 2.061 ppm2 9.000 CV 1 OR { 3337} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 14 and name HN )) ASSI { 3339} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 14 and name HN )) 2.900 1.000 1.000 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 1.149 ppm2 9.000 CV 1 ASSI { 3340} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 14 and name HN )) 3.500 1.500 1.500 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.51000E-03 ppm1 1.079 ppm2 9.000 CV 1 ASSI { 3341} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 2.000 0.500 0.500 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.12325E-01 ppm1 4.329 ppm2 8.995 CV 1 ASSI { 3344} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 2.295 ppm2 8.995 CV 1 ASSI { 3345} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 14 and name HN )) 2.900 1.100 1.100 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.13155E-02 ppm1 2.178 ppm2 8.995 CV 1 ASSI { 3347} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.21873E-02 ppm1 4.656 ppm2 8.895 CV 1 ASSI { 3350} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.300 1.400 1.400 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.68276E-03 ppm1 3.440 ppm2 8.895 CV 1 ASSI { 3351} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.900 1.000 1.000 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 3.113 ppm2 8.895 CV 1 ASSI { 3354} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 25 and name HN )) 2.400 2.400 3.600 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.42991E-02 ppm1 2.061 ppm2 8.895 CV 1 ASSI { 3355} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 25 and name HN )) 3.400 3.400 2.600 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.53416E-03 ppm1 1.617 ppm2 8.895 CV 1 ASSI { 3356} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.900 1.000 1.000 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 1.429 ppm2 8.895 CV 1 ASSI { 3357} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 25 and name HN )) 2.800 1.000 1.000 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.18586E-02 ppm1 1.172 ppm2 8.895 CV 1 ASSI { 3365} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.100 0.600 0.600 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.98923E-02 ppm1 5.147 ppm2 8.732 CV 1 ASSI { 3367} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HN )) 3.400 1.400 1.400 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.59638E-03 ppm1 4.703 ppm2 8.732 CV 1 ASSI { 3368} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.23041E-02 ppm1 4.609 ppm2 8.732 CV 1 ASSI { 3369} (( segid " " and resid 13 and name HA )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 4.329 ppm2 8.732 CV 1 ASSI { 3372} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.28929E-02 ppm1 3.767 ppm2 8.732 CV 1 ASSI { 3373} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.300 2.300 3.700 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.53185E-02 ppm1 3.580 ppm2 8.732 CV 1 ASSI { 3374} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HN )) 3.100 1.200 1.200 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.95547E-03 ppm1 3.347 ppm2 8.732 CV 1 ASSI { 3375} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 19 and name HN )) 3.200 1.300 1.300 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.84592E-03 ppm1 3.277 ppm2 8.732 CV 1 ASSI { 3376} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HN )) 3.000 3.000 3.000 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 3.136 ppm2 8.732 CV 1 ASSI { 3377} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.31057E-02 ppm1 3.019 ppm2 8.732 CV 1 OR { 3377} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 21 and name HN )) ASSI { 3379} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 21 and name HN )) 3.200 1.300 1.300 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.76252E-03 ppm1 2.037 ppm2 8.732 CV 1 OR { 3379} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 21 and name HN )) ASSI { 3381} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.27552E-02 ppm1 1.523 ppm2 8.732 CV 1 OR { 3381} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 21 and name HN )) ASSI { 3383} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 1.266 ppm2 8.732 CV 1 ASSI { 3384} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 21 and name HN )) 3.300 1.300 1.300 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.71056E-03 ppm1 1.149 ppm2 8.732 CV 1 ASSI { 3385} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.64569E-03 ppm1 1.079 ppm2 8.732 CV 1 ASSI { 3386} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 2.100 0.500 0.500 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.11130E-01 ppm1 4.656 ppm2 8.673 CV 1 ASSI { 3392} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 24 and name HN )) 2.800 2.800 3.200 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 1.617 ppm2 8.673 CV 1 ASSI { 3393} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HN )) 3.400 1.500 1.500 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.55104E-03 ppm1 1.429 ppm2 8.673 CV 1 ASSI { 3395} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 24 and name HN )) 2.900 2.900 3.100 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.13917E-02 ppm1 1.149 ppm2 8.673 CV 1 ASSI { 3399} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 13 and name HN )) 2.600 2.600 3.400 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.27764E-02 ppm1 3.019 ppm2 8.667 CV 1 OR { 3399} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HN )) ASSI { 3402} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 1.900 0.500 0.500 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.16300E-01 ppm1 2.061 ppm2 8.667 CV 1 OR { 3402} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HN )) ASSI { 3403} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 13 and name HN )) 3.200 1.300 1.300 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.83963E-03 ppm1 1.079 ppm2 8.667 CV 1 ASSI { 3404} (( segid " " and resid 20 and name HA )) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.55567E-03 ppm1 5.147 ppm2 8.661 CV 1 ASSI { 3407} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.300 0.700 0.700 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.53019E-02 ppm1 4.399 ppm2 8.621 CV 1 ASSI { 3408} (( segid " " and resid 3 and name HB )) (( segid " " and resid 4 and name HN )) 3.300 1.400 1.400 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.61260E-03 ppm1 4.258 ppm2 8.621 CV 1 ASSI { 3414} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 3.200 1.300 1.300 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.81812E-03 ppm1 1.219 ppm2 8.615 CV 1 ASSI { 3420} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 3.300 ppm2 8.585 CV 1 OR { 3420} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HN )) ASSI { 3421} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 2.600 3.400 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.29422E-02 ppm1 3.136 ppm2 8.585 CV 1 ASSI { 3422} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 2.926 ppm2 8.585 CV 1 ASSI { 3423} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HN )) 2.600 0.900 0.900 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.24904E-02 ppm1 2.318 ppm2 8.585 CV 1 ASSI { 3424} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HN )) 2.800 0.900 0.900 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 2.248 ppm2 8.585 CV 1 ASSI { 3425} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.31798E-02 ppm1 2.154 ppm2 8.585 CV 1 ASSI { 3427} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HN )) 2.300 2.300 3.700 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.55402E-02 ppm1 1.874 ppm2 8.585 CV 1 ASSI { 3428} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 31 and name HN )) 3.000 1.100 1.100 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 1.710 ppm2 8.585 CV 1 OR { 3428} (( segid " " and resid 32 and name HD3 )) (( segid " " and resid 31 and name HN )) ASSI { 3429} (( segid " " and resid 27 and name HG )) (( segid " " and resid 31 and name HN )) 3.100 3.100 2.900 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.10170E-02 ppm1 1.617 ppm2 8.585 CV 1 ASSI { 3430} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.76153E-03 ppm1 1.429 ppm2 8.585 CV 1 ASSI { 3431} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 31 and name HN )) 2.900 1.100 1.100 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 1.149 ppm2 8.585 CV 1 ASSI { 3433} ( segid " " and resid 29 and name HD2%) (( segid " " and resid 31 and name HN )) 3.800 1.800 1.800 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.28747E-03 ppm1 0.868 ppm2 8.585 CV 1 OR { 3433} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 31 and name HN )) ASSI { 3435} (( segid " " and resid 18 and name HA )) (( segid " " and resid 3 and name HN )) 2.400 2.400 3.600 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.46963E-02 ppm1 4.609 ppm2 8.521 CV 1 ASSI { 3436} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.900 1.000 1.000 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.15336E-02 ppm1 4.399 ppm2 8.521 CV 1 ASSI { 3440} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 10 and name HN )) 2.900 2.900 3.100 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.13721E-02 ppm1 3.744 ppm2 8.504 CV 1 ASSI { 3441} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HN )) 3.300 1.300 1.300 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.72744E-03 ppm1 3.651 ppm2 8.504 CV 1 ASSI { 3444} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 2.000 0.500 0.500 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.14406E-01 ppm1 4.048 ppm2 8.498 CV 1 ASSI { 3445} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 10 and name HN )) 3.200 1.300 1.300 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.78933E-03 ppm1 3.580 ppm2 8.498 CV 1 ASSI { 3446} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.49809E-03 ppm1 2.926 ppm2 8.498 CV 1 ASSI { 3448} (( segid " " and resid 9 and name HB )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.15631E-02 ppm1 1.780 ppm2 8.498 CV 1 ASSI { 3450} (( segid " " and resid 9 and name HG13)) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.45870E-03 ppm1 1.149 ppm2 8.498 CV 1 ASSI { 3451} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 10 and name HN )) 2.300 0.700 0.700 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.55137E-02 ppm1 0.868 ppm2 8.498 CV 1 ASSI { 3453} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 8 and name HN )) 4.000 2.000 2.000 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.19675E-03 ppm1 1.242 ppm2 8.492 CV 1 ASSI { 3455} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 2.300 0.600 0.600 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.65066E-02 ppm1 4.399 ppm2 8.480 CV 1 ASSI { 3456} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.900 2.900 3.100 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 4.282 ppm2 8.480 CV 1 ASSI { 3460} (( segid " " and resid 18 and name HA )) (( segid " " and resid 8 and name HN )) 3.600 1.600 1.600 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.38093E-03 ppm1 4.609 ppm2 8.469 CV 1 ASSI { 3464} (( segid " " and resid 5 and name HA2 )) (( segid " " and resid 6 and name HN )) 2.200 0.600 0.600 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.82176E-02 ppm1 4.001 ppm2 8.416 CV 1 OR { 3464} (( segid " " and resid 5 and name HA1 )) (( segid " " and resid 6 and name HN )) ASSI { 3467} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HN )) 3.700 1.700 1.700 peak 3467 spectrum 1 weight 0.10000E+01 volume 0.31490E-03 ppm1 1.219 ppm2 8.416 CV 1 ASSI { 3469} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.400 0.700 0.700 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.41436E-02 ppm1 4.562 ppm2 8.375 CV 1 ASSI { 3471} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 2.600 2.600 3.400 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.26364E-02 ppm1 4.282 ppm2 8.375 CV 1 ASSI { 3472} (( segid " " and resid 5 and name HA2 )) (( segid " " and resid 7 and name HN )) 3.800 1.800 1.800 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.27446E-03 ppm1 4.001 ppm2 8.375 CV 1 OR { 3472} (( segid " " and resid 5 and name HA1 )) (( segid " " and resid 7 and name HN )) ASSI { 3473} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.83864E-03 ppm1 3.931 ppm2 8.375 CV 1 ASSI { 3477} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) 2.200 2.200 3.800 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.76021E-02 ppm1 4.492 ppm2 8.241 CV 1 ASSI { 3478} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.94819E-03 ppm1 4.071 ppm2 8.241 CV 1 ASSI { 3479} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 3.347 ppm2 8.241 CV 1 ASSI { 3480} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.51033E-02 ppm1 3.277 ppm2 8.241 CV 1 ASSI { 3484} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.000 1.100 1.100 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 2.178 ppm2 8.241 CV 1 ASSI { 3488} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 2.200 2.200 3.800 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.71089E-02 ppm1 4.913 ppm2 8.235 CV 1 ASSI { 3489} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 12 and name HN )) 3.300 3.300 2.700 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.68044E-03 ppm1 3.580 ppm2 8.235 CV 1 ASSI { 3490} (( segid " " and resid 24 and name HA )) (( segid " " and resid 12 and name HN )) 3.300 3.300 2.700 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.71718E-03 ppm1 3.113 ppm2 8.235 CV 1 ASSI { 3492} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 3.000 1.200 1.200 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.037 ppm2 8.235 CV 1 ASSI { 3493} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 12 and name HN )) 2.800 1.000 1.000 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 1.523 ppm2 8.235 CV 1 ASSI { 3496} (( segid " " and resid 20 and name HA )) (( segid " " and resid 12 and name HN )) 3.800 1.800 1.800 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.30392E-03 ppm1 5.147 ppm2 8.229 CV 1 ASSI { 3498} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 2.200 2.200 3.800 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.78701E-02 ppm1 4.235 ppm2 8.229 CV 1 ASSI { 3499} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 12 and name HN )) 2.800 1.000 1.000 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.16505E-02 ppm1 3.744 ppm2 8.229 CV 1 ASSI { 3500} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 12 and name HN )) 2.800 2.800 3.200 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.18706E-02 ppm1 3.651 ppm2 8.229 CV 1 ASSI { 3502} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HN )) 3.300 1.400 1.400 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.63676E-03 ppm1 1.874 ppm2 8.229 CV 1 ASSI { 3503} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 1.804 ppm2 8.229 CV 1 ASSI { 3504} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HN )) 2.900 2.900 3.100 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 1.266 ppm2 8.229 CV 1 ASSI { 3505} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 12 and name HN )) 3.100 3.100 2.900 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.97632E-03 ppm1 1.079 ppm2 8.229 CV 1 ASSI { 3513} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HE )) 3.400 1.500 1.500 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.51431E-03 ppm1 4.656 ppm2 8.094 CV 1 ASSI { 3516} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) 3.500 1.500 1.500 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.48419E-03 ppm1 4.399 ppm2 8.071 CV 1 ASSI { 3518} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 9 and name HN )) 2.000 0.500 0.500 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.14267E-01 ppm1 3.955 ppm2 8.071 CV 1 OR { 3518} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 9 and name HN )) ASSI { 3524} (( segid " " and resid 18 and name HA )) (( segid " " and resid 9 and name HN )) 2.700 2.700 3.300 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 4.609 ppm2 8.059 CV 1 ASSI { 3525} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 9 and name HN )) 3.100 1.200 1.200 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.88828E-03 ppm1 3.580 ppm2 8.059 CV 1 ASSI { 3530} (( segid " " and resid 14 and name HA )) (( segid " " and resid 31 and name HE )) 3.700 1.700 1.700 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.36339E-03 ppm1 4.773 ppm2 8.036 CV 1 ASSI { 3531} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 31 and name HE )) 3.200 1.300 1.300 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 4.305 ppm2 8.036 CV 1 ASSI { 3532} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 31 and name HE )) 3.200 1.300 1.300 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.75061E-03 ppm1 4.118 ppm2 8.036 CV 1 ASSI { 3533} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HE )) 3.000 1.100 1.100 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 3.767 ppm2 8.036 CV 1 ASSI { 3536} (( segid " " and resid 27 and name HG )) (( segid " " and resid 31 and name HE )) 4.000 2.000 2.000 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.19811E-03 ppm1 1.617 ppm2 8.036 CV 1 ASSI { 3537} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 31 and name HE )) 3.700 1.700 1.700 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.33294E-03 ppm1 1.079 ppm2 8.036 CV 1 ASSI { 3539} (( segid " " and resid 26 and name HA )) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.800 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.30206E-03 ppm1 4.399 ppm2 7.995 CV 1 ASSI { 3540} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.22578E-02 ppm1 4.329 ppm2 7.995 CV 1 ASSI { 3541} (( segid " " and resid 29 and name HA )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.35379E-03 ppm1 4.048 ppm2 7.995 CV 1 ASSI { 3544} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.800 3.800 2.200 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.29872E-03 ppm1 2.762 ppm2 7.995 CV 1 ASSI { 3547} (( segid " " and resid 27 and name HG )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 1.617 ppm2 7.995 CV 1 ASSI { 3549} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 28 and name HN )) 3.300 1.300 1.300 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.71354E-03 ppm1 1.149 ppm2 7.995 CV 1 ASSI { 3550} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 28 and name HN )) 2.900 2.900 3.100 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 1.079 ppm2 7.995 CV 1 ASSI { 3551} ( segid " " and resid 29 and name HD2%) (( segid " " and resid 28 and name HN )) 4.000 2.000 2.000 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.22624E-03 ppm1 0.868 ppm2 7.995 CV 1 OR { 3551} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 28 and name HN )) ASSI { 3552} (( segid " " and resid 24 and name HA )) (( segid " " and resid 28 and name HN )) 3.000 3.000 3.000 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 3.113 ppm2 7.989 CV 1 ASSI { 3554} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.25384E-03 ppm1 1.687 ppm2 7.989 CV 1 ASSI { 3576} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 2.600 0.900 0.900 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 4.796 ppm2 7.849 CV 1 ASSI { 3577} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) 3.300 1.400 1.400 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.63841E-03 ppm1 4.656 ppm2 7.849 CV 1 ASSI { 3578} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.38523E-03 ppm1 4.609 ppm2 7.849 CV 1 ASSI { 3580} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.700 2.700 3.300 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.24044E-02 ppm1 3.580 ppm2 7.849 CV 1 ASSI { 3583} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.19013E-02 ppm1 2.809 ppm2 7.849 CV 1 ASSI { 3584} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.100 1.200 1.200 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.10266E-02 ppm1 2.084 ppm2 7.849 CV 1 ASSI { 3585} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.24272E-02 ppm1 1.453 ppm2 7.849 CV 1 ASSI { 3588} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 2.100 0.500 0.500 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 4.422 ppm2 7.761 CV 1 ASSI { 3591} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 0.892 ppm2 7.761 CV 1 ASSI { 3592} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HN )) 3.400 1.400 1.400 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.57487E-03 ppm1 4.188 ppm2 7.755 CV 1 ASSI { 3593} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.45606E-02 ppm1 1.897 ppm2 7.755 CV 1 OR { 3593} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 33 and name HN )) ASSI { 3594} (( segid " " and resid 36 and name HG )) (( segid " " and resid 37 and name HN )) 2.100 2.100 3.900 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.91542E-02 ppm1 1.663 ppm2 7.755 CV 1 ASSI { 3599} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.47691E-02 ppm1 4.071 ppm2 7.750 CV 1 ASSI { 3600} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.88498E-03 ppm1 3.767 ppm2 7.750 CV 1 ASSI { 3601} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 33 and name HN )) 4.300 2.300 2.300 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.13314E-03 ppm1 3.277 ppm2 7.750 CV 1 ASSI { 3602} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.92601E-03 ppm1 3.089 ppm2 7.750 CV 1 OR { 3602} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HN )) ASSI { 3603} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 2.400 0.700 0.700 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.48882E-02 ppm1 4.095 ppm2 7.726 CV 1 ASSI { 3605} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 20 and name HN )) 4.000 2.000 2.000 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.20903E-03 ppm1 3.136 ppm2 7.726 CV 1 ASSI { 3606} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 20 and name HN )) 3.700 1.700 1.700 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.35743E-03 ppm1 3.043 ppm2 7.726 CV 1 ASSI { 3610} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 20 and name HN )) 2.600 0.900 0.900 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 1.266 ppm2 7.720 CV 1 ASSI { 3611} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.32963E-02 ppm1 4.703 ppm2 7.650 CV 1 ASSI { 3613} (( segid " " and resid 33 and name HA )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.25219E-02 ppm1 4.071 ppm2 7.650 CV 1 ASSI { 3614} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.11501E-02 ppm1 3.277 ppm2 7.650 CV 1 ASSI { 3615} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HN )) 3.200 1.300 1.300 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.78106E-03 ppm1 3.183 ppm2 7.650 CV 1 ASSI { 3630} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.85817E-03 ppm1 3.393 ppm2 7.533 CV 1 ASSI { 3631} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 23 and name HN )) 3.300 1.300 1.300 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.70957E-03 ppm1 3.253 ppm2 7.533 CV 1 ASSI { 3632} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 23 and name HN )) 3.600 1.600 1.600 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.40013E-03 ppm1 3.019 ppm2 7.533 CV 1 ASSI { 3633} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 23 and name HN )) 2.600 2.600 3.400 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.29574E-02 ppm1 2.786 ppm2 7.533 CV 1 ASSI { 3640} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 2.800 3.200 peak 3640 spectrum 1 weight 0.10000E+01 volume 0.19914E-02 ppm1 3.323 ppm2 7.504 CV 1 ASSI { 3642} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HN )) 2.200 0.600 0.600 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.71586E-02 ppm1 2.926 ppm2 7.504 CV 1 ASSI { 3646} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HN )) 2.600 0.800 0.800 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.28452E-02 ppm1 4.399 ppm2 7.492 CV 1 ASSI { 3647} (( segid " " and resid 25 and name HA )) (( segid " " and resid 29 and name HN )) 3.600 1.600 1.600 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.38953E-03 ppm1 4.329 ppm2 7.492 CV 1 ASSI { 3648} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.300 0.600 0.600 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.61955E-02 ppm1 4.048 ppm2 7.492 CV 1 ASSI { 3649} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 3649 spectrum 1 weight 0.10000E+01 volume 0.16157E-02 ppm1 3.955 ppm2 7.492 CV 1 ASSI { 3651} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 29 and name HN )) 2.300 0.700 0.700 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.60267E-02 ppm1 1.429 ppm2 7.492 CV 1 ASSI { 3652} ( segid " " and resid 29 and name HD2%) (( segid " " and resid 29 and name HN )) 2.400 0.700 0.700 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.44977E-02 ppm1 0.868 ppm2 7.492 CV 1 OR { 3652} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 29 and name HN )) ASSI { 3654} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.17392E-02 ppm1 2.645 ppm2 7.428 CV 1 ASSI { 3655} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.18368E-02 ppm1 4.329 ppm2 7.422 CV 1 ASSI { 3657} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 26 and name HN )) 2.400 2.400 3.600 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.48320E-02 ppm1 2.061 ppm2 7.422 CV 1 ASSI { 3660} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 21 and name HD% ) 2.800 2.800 3.200 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.17643E-02 ppm1 1.944 ppm2 7.416 CV 1 ASSI { 3661} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 26 and name HN )) 2.500 2.500 3.500 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.35809E-02 ppm1 1.617 ppm2 7.416 CV 1 ASSI { 3662} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 26 and name HN )) 3.000 1.100 1.100 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 0.868 ppm2 7.416 CV 1 ASSI { 3663} (( segid " " and resid 20 and name HA )) ( segid " " and resid 21 and name HD% ) 2.500 0.800 0.800 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.37563E-02 ppm1 5.147 ppm2 7.411 CV 1 ASSI { 3665} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 21 and name HD% ) 2.200 0.600 0.600 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.68309E-02 ppm1 3.674 ppm2 7.411 CV 1 ASSI { 3666} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 21 and name HD% ) 2.800 2.800 3.200 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.17147E-02 ppm1 3.580 ppm2 7.411 CV 1 ASSI { 3667} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 12 and name HE% ) 2.700 0.900 0.900 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.20400E-02 ppm1 3.440 ppm2 7.411 CV 1 ASSI { 3668} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 21 and name HD% ) 2.300 2.300 3.700 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.51298E-02 ppm1 3.019 ppm2 7.411 CV 1 OR { 3668} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 21 and name HD% ) ASSI { 3669} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 21 and name HD% ) 2.100 0.600 0.600 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.96871E-02 ppm1 2.786 ppm2 7.411 CV 1 ASSI { 3670} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 34 and name HN )) 3.000 1.100 1.100 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 1.874 ppm2 7.411 CV 1 ASSI { 3672} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 21 and name HD% ) 2.400 2.400 3.600 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.48353E-02 ppm1 1.383 ppm2 7.411 CV 1 ASSI { 3673} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 21 and name HD% ) 2.700 2.700 3.300 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.20367E-02 ppm1 1.266 ppm2 7.411 CV 1 ASSI { 3674} ( segid " " and resid 27 and name HD1%) ( segid " " and resid 21 and name HD% ) 2.000 0.500 0.500 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.11868E-01 ppm1 1.149 ppm2 7.411 CV 1 ASSI { 3675} ( segid " " and resid 27 and name HD2%) ( segid " " and resid 21 and name HD% ) 2.500 0.800 0.800 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.35743E-02 ppm1 1.079 ppm2 7.411 CV 1 ASSI { 3683} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 21 and name HD% ) 3.000 3.000 3.000 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 1.523 ppm2 7.405 CV 1 OR { 3683} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 21 and name HD% ) ASSI { 3684} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.500 0.800 0.800 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.35280E-02 ppm1 4.071 ppm2 7.399 CV 1 ASSI { 3685} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 3.767 ppm2 7.300 CV 1 ASSI { 3688} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.96540E-03 ppm1 2.154 ppm2 7.300 CV 1 ASSI { 3690} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HN )) 3.500 1.500 1.500 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.48882E-03 ppm1 4.188 ppm2 7.294 CV 1 ASSI { 3693} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 32 and name HN )) 3.400 3.400 2.600 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.58017E-03 ppm1 3.300 ppm2 7.294 CV 1 OR { 3693} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 32 and name HN )) ASSI { 3698} ( segid " " and resid 29 and name HD2%) (( segid " " and resid 32 and name HN )) 3.300 3.300 2.700 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.66555E-03 ppm1 0.868 ppm2 7.294 CV 1 OR { 3698} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 3708} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HE )) 3.300 3.300 2.700 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.72049E-03 ppm1 4.095 ppm2 7.212 CV 1 ASSI { 3710} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 4.399 ppm2 7.206 CV 1 ASSI { 3715} (( segid " " and resid 14 and name HA )) (( segid " " and resid 19 and name HE )) 3.400 3.400 2.600 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.56825E-03 ppm1 4.773 ppm2 7.200 CV 1 ASSI { 3716} (( segid " " and resid 31 and name HA )) (( segid " " and resid 19 and name HE )) 3.300 3.300 2.700 peak 3716 spectrum 1 weight 0.10000E+01 volume 0.71983E-03 ppm1 3.767 ppm2 7.200 CV 1 ASSI { 3717} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 19 and name HE )) 2.800 1.000 1.000 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 3.580 ppm2 7.200 CV 1 ASSI { 3719} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 19 and name HE )) 2.700 0.900 0.900 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.22187E-02 ppm1 2.926 ppm2 7.200 CV 1 ASSI { 3720} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 27 and name HN )) 2.200 2.200 3.800 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.66721E-02 ppm1 2.786 ppm2 7.200 CV 1 ASSI { 3721} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 19 and name HE )) 2.900 2.900 3.100 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.15062E-02 ppm1 2.318 ppm2 7.200 CV 1 ASSI { 3722} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 19 and name HE )) 2.700 2.700 3.300 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 2.248 ppm2 7.200 CV 1 ASSI { 3725} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HN )) 2.500 2.500 3.500 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 1.617 ppm2 7.200 CV 1 ASSI { 3727} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HN )) 2.400 2.400 3.600 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.43984E-02 ppm1 1.149 ppm2 7.200 CV 1 ASSI { 3731} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.23720E-02 ppm1 3.674 ppm2 7.183 CV 1 ASSI { 3747} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HD2 )) 2.200 0.600 0.600 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.82077E-02 ppm1 4.399 ppm2 7.048 CV 1 ASSI { 3752} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HD2 )) 3.500 1.500 1.500 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.49345E-03 ppm1 2.762 ppm2 7.048 CV 1 ASSI { 3753} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 26 and name HD2 )) 2.900 2.900 3.100 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.14426E-02 ppm1 2.669 ppm2 7.048 CV 1 ASSI { 3755} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 26 and name HD2 )) 3.300 1.400 1.400 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.68342E-03 ppm1 1.687 ppm2 7.048 CV 1 OR { 3755} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 26 and name HD2 )) ASSI { 3756} (( segid " " and resid 29 and name HG )) (( segid " " and resid 26 and name HD2 )) 3.300 1.400 1.400 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.62981E-03 ppm1 1.593 ppm2 7.048 CV 1 ASSI { 3757} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 26 and name HD2 )) 3.400 1.500 1.500 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.55038E-03 ppm1 1.429 ppm2 7.048 CV 1 ASSI { 3758} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 26 and name HD2 )) 3.200 1.300 1.300 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.78072E-03 ppm1 1.149 ppm2 7.048 CV 1 ASSI { 3759} ( segid " " and resid 29 and name HD1%) (( segid " " and resid 26 and name HD2 )) 2.600 0.900 0.900 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.25166E-02 ppm1 0.868 ppm2 7.048 CV 1 ASSI { 3764} (( segid " " and resid 19 and name HA )) ( segid " " and resid 21 and name HE% ) 3.300 3.300 2.700 peak 3764 spectrum 1 weight 0.10000E+01 volume 0.62153E-03 ppm1 4.095 ppm2 6.896 CV 1 ASSI { 3765} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 21 and name HE% ) 2.800 1.000 1.000 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 3.580 ppm2 6.896 CV 1 ASSI { 3766} (( segid " " and resid 27 and name HA )) ( segid " " and resid 21 and name HE% ) 2.600 2.600 3.400 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.26692E-02 ppm1 3.323 ppm2 6.896 CV 1 ASSI { 3767} (( segid " " and resid 19 and name HD3 )) ( segid " " and resid 21 and name HE% ) 3.200 3.200 2.800 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.82309E-03 ppm1 3.043 ppm2 6.896 CV 1 ASSI { 3768} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 21 and name HE% ) 2.700 2.700 3.300 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 2.926 ppm2 6.896 CV 1 ASSI { 3770} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 21 and name HE% ) 2.600 2.600 3.400 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.30365E-02 ppm1 1.266 ppm2 6.896 CV 1 ASSI { 3771} (( segid " " and resid 20 and name HA )) ( segid " " and resid 21 and name HE% ) 3.100 3.100 2.900 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 5.147 ppm2 6.890 CV 1 ASSI { 3772} (( segid " " and resid 14 and name HA )) ( segid " " and resid 21 and name HE% ) 3.400 1.500 1.500 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.53185E-03 ppm1 4.773 ppm2 6.890 CV 1 ASSI { 3774} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 21 and name HE% ) 3.400 3.400 2.600 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.55667E-03 ppm1 3.674 ppm2 6.890 CV 1 ASSI { 3775} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 21 and name HE% ) 3.200 1.300 1.300 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.82474E-03 ppm1 3.142 ppm2 6.895 CV 1 ASSI { 3776} (( segid " " and resid 14 and name HB3 )) ( segid " " and resid 21 and name HE% ) 2.400 2.400 3.600 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.45539E-02 ppm1 2.786 ppm2 6.890 CV 1 OR { 3776} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 21 and name HE% ) ASSI { 3779} ( segid " " and resid 27 and name HD1%) ( segid " " and resid 21 and name HE% ) 2.300 0.700 0.700 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.59109E-02 ppm1 1.149 ppm2 6.890 CV 1 ASSI { 3782} (( segid " " and resid 14 and name HA )) (( segid " " and resid 34 and name HD2 )) 3.800 1.800 1.800 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.28866E-03 ppm1 4.773 ppm2 6.762 CV 1 ASSI { 3783} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HD2 )) 3.300 1.400 1.400 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.66555E-03 ppm1 4.703 ppm2 6.762 CV 1 ASSI { 3786} (( segid " " and resid 31 and name HA )) (( segid " " and resid 34 and name HD2 )) 2.100 0.600 0.600 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.96176E-02 ppm1 3.767 ppm2 6.762 CV 1 ASSI { 3787} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 34 and name HD2 )) 2.200 2.200 3.800 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.76153E-02 ppm1 3.300 ppm2 6.762 CV 1 OR { 3787} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 34 and name HD2 )) ASSI { 3790} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 3.100 1.200 1.200 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 2.318 ppm2 6.762 CV 1 ASSI { 3791} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 34 and name HD2 )) 2.900 1.100 1.100 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.13678E-02 ppm1 2.248 ppm2 6.762 CV 1 ASSI { 3792} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 2.700 2.700 3.300 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.23908E-02 ppm1 2.107 ppm2 6.762 CV 1 OR { 3792} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 34 and name HD2 )) ASSI { 3793} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 34 and name HD2 )) 3.000 1.100 1.100 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.12212E-02 ppm1 1.874 ppm2 6.762 CV 1 ASSI { 3796} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 34 and name HD2 )) 2.700 2.700 3.300 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 1.453 ppm2 6.762 CV 1 ASSI { 3797} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 34 and name HD2 )) 3.400 1.400 1.400 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.57255E-03 ppm1 1.149 ppm2 6.762 CV 1 ASSI { 3803} (( segid " " and resid 30 and name HA )) (( segid " " and resid 21 and name HZ )) 3.300 3.300 2.700 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.61028E-03 ppm1 4.188 ppm2 6.323 CV 1 ASSI { 3804} (( segid " " and resid 19 and name HA )) (( segid " " and resid 21 and name HZ )) 3.800 1.800 1.800 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.29429E-03 ppm1 4.095 ppm2 6.323 CV 1 ASSI { 3806} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 21 and name HZ )) 2.700 0.900 0.900 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.23197E-02 ppm1 3.136 ppm2 6.323 CV 1 ASSI { 3807} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 21 and name HZ )) 3.100 1.200 1.200 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.88299E-03 ppm1 3.043 ppm2 6.323 CV 1 ASSI { 3808} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 21 and name HZ )) 2.700 0.900 0.900 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.23213E-02 ppm1 2.926 ppm2 6.323 CV 1 ASSI { 3809} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 21 and name HZ )) 3.000 1.100 1.100 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 1.359 ppm2 6.323 CV 1 ASSI { 3810} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 21 and name HZ )) 2.800 1.000 1.000 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.18239E-02 ppm1 1.266 ppm2 6.323 CV 1 ASSI { 3812} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 21 and name HZ )) 3.400 1.400 1.400 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.59042E-03 ppm1 1.733 ppm2 6.318 CV 1 ASSI { 3914} (( segid " " and resid 22 and name HA )) (( segid " " and resid 10 and name HA )) 3.200 1.200 1.200 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.87008E-03 ppm1 4.703 ppm2 4.500 CV 1 ASSI { 3943} (( segid " " and resid 20 and name HA )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.21383E-02 ppm1 5.147 ppm2 4.330 CV 1 ASSI { 3957} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HD2 )) 2.400 0.700 0.700 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.43057E-02 ppm1 4.773 ppm2 4.295 CV 1 ASSI { 3974} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HA )) 3.000 3.000 3.000 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.12361E-02 ppm1 4.703 ppm2 4.225 CV 1 ASSI { 3990} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HD3 )) 2.300 0.600 0.600 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.64536E-02 ppm1 4.773 ppm2 4.126 CV 1 ASSI { 4090} (( segid " " and resid 13 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.600 2.600 3.400 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.28882E-02 ppm1 4.329 ppm2 3.763 CV 1 ASSI { 4111} (( segid " " and resid 22 and name HA )) (( segid " " and resid 11 and name HD2 )) 2.600 0.800 0.800 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.31014E-02 ppm1 4.703 ppm2 3.740 CV 1 ASSI { 4112} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HD2 )) 2.100 0.500 0.500 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.10984E-01 ppm1 4.492 ppm2 3.740 CV 1 ASSI { 4120} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HB2 )) 3.600 3.600 2.400 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.39748E-03 ppm1 5.147 ppm2 3.670 CV 1 ASSI { 4128} (( segid " " and resid 22 and name HA )) (( segid " " and resid 11 and name HD3 )) 2.300 2.300 3.700 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.55998E-02 ppm1 4.703 ppm2 3.664 CV 1 ASSI { 4129} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HD3 )) 2.100 0.600 0.600 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.87571E-02 ppm1 4.492 ppm2 3.664 CV 1 ASSI { 4165} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HB2 )) 3.400 1.400 1.400 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.55435E-03 ppm1 4.656 ppm2 3.454 CV 1 ASSI { 4174} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 26 and name HB2 )) 2.900 1.000 1.000 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 3.674 ppm2 3.389 CV 1 ASSI { 4177} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) 3.300 1.400 1.400 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.62451E-03 ppm1 4.609 ppm2 3.354 CV 1 ASSI { 4185} (( segid " " and resid 14 and name HA )) (( segid " " and resid 31 and name HD2 )) 2.800 1.000 1.000 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.16799E-02 ppm1 4.773 ppm2 3.307 CV 1 ASSI { 4211} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB3 )) 2.400 0.700 0.700 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.45242E-02 ppm1 4.399 ppm2 3.267 CV 1 ASSI { 4213} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 26 and name HB3 )) 3.300 1.300 1.300 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.69501E-03 ppm1 3.674 ppm2 3.249 CV 1 ASSI { 4234} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HB3 )) 3.600 1.600 1.600 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.38225E-03 ppm1 4.656 ppm2 3.161 CV 1 ASSI { 4250} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HA )) 4.100 2.100 2.100 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.17441E-03 ppm1 4.656 ppm2 3.103 CV 1 ASSI { 4251} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HA )) 3.700 1.700 1.700 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.34386E-03 ppm1 4.329 ppm2 3.103 CV 1 ASSI { 4264} (( segid " " and resid 21 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.700 1.800 1.800 peak 4264 spectrum 1 weight 0.10000E+01 volume 0.31232E-03 ppm1 4.936 ppm2 3.033 CV 1 OR { 4264} (( segid " " and resid 21 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 4266} (( segid " " and resid 20 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.29746E-03 ppm1 5.147 ppm2 3.027 CV 1 OR { 4266} (( segid " " and resid 20 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 4268} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.300 3.300 2.700 peak 4268 spectrum 1 weight 0.10000E+01 volume 0.62087E-03 ppm1 4.235 ppm2 3.027 CV 1 OR { 4268} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 4269} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 12 and name HB2 )) 2.800 2.800 3.200 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 3.674 ppm2 3.027 CV 1 OR { 4269} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 12 and name HB3 )) ASSI { 4271} (( segid " " and resid 27 and name HA )) (( segid " " and resid 12 and name HB3 )) 3.400 1.500 1.500 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.52523E-03 ppm1 3.323 ppm2 3.027 CV 1 OR { 4271} (( segid " " and resid 27 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 4277} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 12 and name HB2 )) 3.400 3.400 2.600 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.53681E-03 ppm1 3.393 ppm2 3.021 CV 1 OR { 4277} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 12 and name HB3 )) ASSI { 4292} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.800 1.000 1.000 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 3.323 ppm2 2.916 CV 1 ASSI { 4293} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB3 )) 2.000 0.500 0.500 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.12768E-01 ppm1 3.136 ppm2 2.916 CV 1 ASSI { 4295} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HB2 )) 3.800 1.800 1.800 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.28902E-03 ppm1 4.913 ppm2 2.840 CV 1 ASSI { 4301} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 14 and name HB3 )) 3.100 3.100 2.900 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.90516E-03 ppm1 4.118 ppm2 2.805 CV 1 ASSI { 4307} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HB3 )) 3.000 3.000 3.000 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 5.147 ppm2 2.793 CV 1 ASSI { 4338} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HD3 )) 1.900 0.400 0.400 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.19652E-01 ppm1 3.183 ppm2 2.676 CV 1 ASSI { 4361} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB3 )) 2.200 0.600 0.600 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.81051E-02 ppm1 4.329 ppm2 2.653 CV 1 ASSI { 4459} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HG2 )) 3.200 1.300 1.300 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.85453E-03 ppm1 3.955 ppm2 2.325 CV 1 ASSI { 4474} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HG3 )) 3.300 1.400 1.400 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.61856E-03 ppm1 3.955 ppm2 2.255 CV 1 ASSI { 4493} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 3.955 ppm2 2.156 CV 1 ASSI { 4516} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.300 0.600 0.600 peak 4516 spectrum 1 weight 0.10000E+01 volume 0.63411E-02 ppm1 4.785 ppm2 2.097 CV 1 ASSI { 4535} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 3.300 ppm2 2.086 CV 1 OR { 4535} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 15 and name HG3 )) OR { 4535} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 15 and name HG3 )) ASSI { 4546} (( segid " " and resid 20 and name HA )) (( segid " " and resid 13 and name HB3 )) 3.100 1.200 1.200 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.92138E-03 ppm1 5.147 ppm2 2.051 CV 1 OR { 4546} (( segid " " and resid 20 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 4548} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 13 and name HB3 )) 3.100 1.200 1.200 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 3.580 ppm2 2.051 CV 1 OR { 4548} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 13 and name HB2 )) ASSI { 4549} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB3 )) 2.900 1.000 1.000 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 2.575 ppm2 2.051 CV 1 ASSI { 4552} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HB3 )) 2.600 2.600 3.400 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.29101E-02 ppm1 4.773 ppm2 2.033 CV 1 ASSI { 4554} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 15 and name HB3 )) 3.200 3.200 2.800 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.88034E-03 ppm1 3.300 ppm2 2.033 CV 1 OR { 4554} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 15 and name HB3 )) ASSI { 4569} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.500 2.500 3.500 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.32169E-02 ppm1 3.113 ppm2 1.946 CV 1 ASSI { 4589} (( segid " " and resid 22 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.61458E-03 ppm1 4.703 ppm2 1.875 CV 1 ASSI { 4590} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.900 2.900 3.100 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.15138E-02 ppm1 4.492 ppm2 1.875 CV 1 ASSI { 4592} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HB3 )) 2.800 1.000 1.000 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.17170E-02 ppm1 3.955 ppm2 1.875 CV 1 ASSI { 4599} (( segid " " and resid 4 and name HD3 )) (( segid " " and resid 4 and name HB3 )) 2.900 1.000 1.000 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.15055E-02 ppm1 3.206 ppm2 1.799 CV 1 OR { 4599} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HB3 )) ASSI { 4601} (( segid " " and resid 22 and name HA )) (( segid " " and resid 11 and name HG3 )) 3.100 1.200 1.200 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 4.703 ppm2 1.794 CV 1 ASSI { 4602} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HG3 )) 2.900 2.900 3.100 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.13894E-02 ppm1 4.492 ppm2 1.794 CV 1 ASSI { 4606} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 9 and name HB )) 3.100 3.100 2.900 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.90020E-03 ppm1 3.955 ppm2 1.794 CV 1 OR { 4606} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 9 and name HB )) ASSI { 4621} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 1.000 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 1.718 CV 1 OR { 4621} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD3 )) ASSI { 4625} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 1.900 0.400 0.400 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.20321E-01 ppm1 4.048 ppm2 1.688 CV 1 OR { 4625} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB3 )) ASSI { 4633} (( segid " " and resid 30 and name HA )) (( segid " " and resid 29 and name HB2 )) 3.500 1.600 1.600 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.44878E-03 ppm1 4.188 ppm2 1.677 CV 1 OR { 4633} (( segid " " and resid 30 and name HA )) (( segid " " and resid 29 and name HB3 )) ASSI { 4636} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HG3 )) 2.300 0.700 0.700 peak 4636 spectrum 1 weight 0.10000E+01 volume 0.51960E-02 ppm1 1.780 ppm2 1.653 CV 1 OR { 4636} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HG2 )) ASSI { 4645} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HG )) 2.900 1.100 1.100 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.14231E-02 ppm1 3.955 ppm2 1.612 CV 1 ASSI { 4647} (( segid " " and resid 31 and name HD3 )) (( segid " " and resid 27 and name HG )) 2.200 0.600 0.600 peak 4647 spectrum 1 weight 0.10000E+01 volume 0.70990E-02 ppm1 3.300 ppm2 1.612 CV 1 OR { 4647} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 27 and name HG )) ASSI { 4650} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 27 and name HG )) 3.000 1.100 1.100 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 2.318 ppm2 1.612 CV 1 ASSI { 4652} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HG )) 2.800 1.000 1.000 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 1.944 ppm2 1.612 CV 1 ASSI { 4657} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HG3 )) 3.200 1.300 1.300 peak 4657 spectrum 1 weight 0.10000E+01 volume 0.77046E-03 ppm1 4.188 ppm2 1.607 CV 1 OR { 4657} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 10 and name HD2 )) ASSI { 4664} (( segid " " and resid 20 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.300 1.400 1.400 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.65000E-03 ppm1 5.147 ppm2 1.525 CV 1 OR { 4664} (( segid " " and resid 20 and name HA )) (( segid " " and resid 10 and name HB3 )) ASSI { 4665} (( segid " " and resid 22 and name HA )) (( segid " " and resid 10 and name HB3 )) 2.700 0.900 0.900 peak 4665 spectrum 1 weight 0.10000E+01 volume 0.23395E-02 ppm1 4.703 ppm2 1.525 CV 1 ASSI { 4667} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 10 and name HB3 )) 2.800 1.000 1.000 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.17359E-02 ppm1 3.744 ppm2 1.525 CV 1 ASSI { 4668} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HB3 )) 2.400 2.400 3.600 peak 4668 spectrum 1 weight 0.10000E+01 volume 0.41667E-02 ppm1 3.651 ppm2 1.525 CV 1 OR { 4668} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HB2 )) ASSI { 4669} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 10 and name HB2 )) 3.100 1.200 1.200 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 3.580 ppm2 1.525 CV 1 ASSI { 4683} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 1.800 0.400 0.400 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.24616E-01 ppm1 2.084 ppm2 1.466 CV 1 ASSI { 4685} (( segid " " and resid 25 and name HA )) ( segid " " and resid 28 and name HB% ) 2.100 2.100 3.900 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.98823E-02 ppm1 4.329 ppm2 1.443 CV 1 ASSI { 4686} (( segid " " and resid 31 and name HD3 )) ( segid " " and resid 28 and name HB% ) 3.000 3.000 3.000 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 3.300 ppm2 1.443 CV 1 OR { 4686} (( segid " " and resid 31 and name HD2 )) ( segid " " and resid 28 and name HB% ) ASSI { 4688} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 23 and name HB2 )) 2.700 2.700 3.300 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.20897E-02 ppm1 2.762 ppm2 1.443 CV 1 ASSI { 4711} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HG2 )) 3.300 1.400 1.400 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.66721E-03 ppm1 3.674 ppm2 1.355 CV 1 ASSI { 4713} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 10 and name HG2 )) 3.000 3.000 3.000 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.11716E-02 ppm1 3.580 ppm2 1.349 CV 1 ASSI { 4718} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 10 and name HG2 )) 3.300 1.300 1.300 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.68541E-03 ppm1 3.744 ppm2 1.343 CV 1 ASSI { 4728} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HB3 )) 4.000 2.000 2.000 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.21499E-03 ppm1 5.147 ppm2 1.268 CV 1 ASSI { 4730} (( segid " " and resid 22 and name HA )) (( segid " " and resid 10 and name HG3 )) 3.000 1.100 1.100 peak 4730 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 4.703 ppm2 1.268 CV 1 ASSI { 4731} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG3 )) 2.400 0.700 0.700 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.41800E-02 ppm1 4.492 ppm2 1.268 CV 1 ASSI { 4735} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 10 and name HG3 )) 3.200 3.200 2.800 peak 4735 spectrum 1 weight 0.10000E+01 volume 0.79860E-03 ppm1 3.580 ppm2 1.268 CV 1 ASSI { 4766} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.300 0.600 0.600 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.64900E-02 ppm1 4.399 ppm2 1.227 CV 1 ASSI { 4767} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HG2%) 2.100 0.600 0.600 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.93760E-02 ppm1 4.282 ppm2 1.227 CV 1 ASSI { 4799} (( segid " " and resid 20 and name HA )) ( segid " " and resid 27 and name HD1%) 3.800 1.800 1.800 peak 4799 spectrum 1 weight 0.10000E+01 volume 0.29386E-03 ppm1 5.147 ppm2 1.151 CV 1 ASSI { 4800} (( segid " " and resid 14 and name HA )) ( segid " " and resid 27 and name HD1%) 2.300 0.700 0.700 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.56262E-02 ppm1 4.773 ppm2 1.151 CV 1 ASSI { 4801} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 27 and name HD1%) 2.700 0.900 0.900 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.24808E-02 ppm1 4.305 ppm2 1.151 CV 1 ASSI { 4802} (( segid " " and resid 15 and name HD3 )) ( segid " " and resid 27 and name HD1%) 2.700 0.900 0.900 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.21042E-02 ppm1 4.118 ppm2 1.151 CV 1 ASSI { 4804} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 9 and name HG13)) 3.400 1.500 1.500 peak 4804 spectrum 1 weight 0.10000E+01 volume 0.53813E-03 ppm1 3.955 ppm2 1.151 CV 1 OR { 4804} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 9 and name HG13)) ASSI { 4806} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 27 and name HD1%) 3.600 1.700 1.700 peak 4806 spectrum 1 weight 0.10000E+01 volume 0.37034E-03 ppm1 3.674 ppm2 1.151 CV 1 ASSI { 4807} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 27 and name HD1%) 2.900 1.000 1.000 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.14751E-02 ppm1 3.580 ppm2 1.151 CV 1 ASSI { 4808} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD1%) 2.100 0.600 0.600 peak 4808 spectrum 1 weight 0.10000E+01 volume 0.98492E-02 ppm1 3.323 ppm2 1.151 CV 1 ASSI { 4810} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 27 and name HD1%) 2.900 2.900 3.100 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.14453E-02 ppm1 3.019 ppm2 1.151 CV 1 OR { 4810} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 27 and name HD1%) ASSI { 4811} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 27 and name HD1%) 3.200 1.300 1.300 peak 4811 spectrum 1 weight 0.10000E+01 volume 0.84592E-03 ppm1 2.926 ppm2 1.151 CV 1 ASSI { 4812} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 27 and name HD1%) 2.600 2.600 3.400 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.30805E-02 ppm1 2.786 ppm2 1.151 CV 1 ASSI { 4813} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 27 and name HD1%) 2.800 1.000 1.000 peak 4813 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 2.318 ppm2 1.151 CV 1 ASSI { 4814} (( segid " " and resid 31 and name HG3 )) ( segid " " and resid 27 and name HD1%) 3.000 1.100 1.100 peak 4814 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 2.248 ppm2 1.151 CV 1 ASSI { 4815} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 27 and name HD1%) 3.800 1.800 1.800 peak 4815 spectrum 1 weight 0.10000E+01 volume 0.29951E-03 ppm1 2.154 ppm2 1.151 CV 1 ASSI { 4823} (( segid " " and resid 14 and name HA )) ( segid " " and resid 27 and name HD2%) 2.800 1.000 1.000 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 4.773 ppm2 1.075 CV 1 ASSI { 4824} (( segid " " and resid 15 and name HD3 )) ( segid " " and resid 27 and name HD2%) 2.900 1.100 1.100 peak 4824 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 4.118 ppm2 1.075 CV 1 ASSI { 4826} (( segid " " and resid 24 and name HA )) ( segid " " and resid 27 and name HD2%) 2.800 1.000 1.000 peak 4826 spectrum 1 weight 0.10000E+01 volume 0.16177E-02 ppm1 3.113 ppm2 1.075 CV 1 ASSI { 4827} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 27 and name HD2%) 3.200 1.200 1.200 peak 4827 spectrum 1 weight 0.10000E+01 volume 0.87108E-03 ppm1 2.037 ppm2 1.075 CV 1 OR { 4827} (( segid " " and resid 13 and name HB3 )) ( segid " " and resid 27 and name HD2%) ASSI { 4830} (( segid " " and resid 12 and name HA )) ( segid " " and resid 27 and name HD2%) 2.700 0.900 0.900 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.20271E-02 ppm1 4.703 ppm2 1.069 CV 1 ASSI { 4831} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 27 and name HD2%) 3.000 1.100 1.100 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 4.305 ppm2 1.069 CV 1 ASSI { 4836} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 27 and name HD2%) 2.200 0.600 0.600 peak 4836 spectrum 1 weight 0.10000E+01 volume 0.75723E-02 ppm1 3.019 ppm2 1.069 CV 1 ASSI { 4838} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 27 and name HD2%) 3.300 1.300 1.300 peak 4838 spectrum 1 weight 0.10000E+01 volume 0.72744E-03 ppm1 2.318 ppm2 1.069 CV 1 ASSI { 4903} (( segid " " and resid 10 and name HA )) ( segid " " and resid 9 and name HG2%) 3.900 1.900 1.900 peak 4903 spectrum 1 weight 0.10000E+01 volume 0.26010E-03 ppm1 4.492 ppm2 0.870 CV 1 ASSI { 4906} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HG2%) 2.000 0.500 0.500 peak 4906 spectrum 1 weight 0.10000E+01 volume 0.13126E-01 ppm1 4.048 ppm2 0.870 CV 1 ASSI { 4912} (( segid " " and resid 32 and name HE2 )) ( segid " " and resid 29 and name HD2%) 3.100 1.200 1.200 peak 4912 spectrum 1 weight 0.10000E+01 volume 0.90980E-03 ppm1 2.973 ppm2 0.870 CV 1 OR { 4912} (( segid " " and resid 32 and name HE3 )) ( segid " " and resid 29 and name HD2%) ASSI { 4931} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.300 0.700 0.700 peak 4931 spectrum 1 weight 0.10000E+01 volume 0.53946E-02 ppm1 7.532 ppm2 9.830 CV 1 ASSI { 4932} ( segid " " and resid 21 and name HD% ) (( segid " " and resid 22 and name HN )) 2.700 2.700 3.300 peak 4932 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 7.415 ppm2 9.830 CV 1 ASSI { 4936} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.100 0.500 0.500 peak 4936 spectrum 1 weight 0.10000E+01 volume 0.10657E-01 ppm1 7.836 ppm2 9.293 CV 1 ASSI { 4940} ( segid " " and resid 21 and name HD% ) (( segid " " and resid 14 and name HN )) 3.300 1.300 1.300 peak 4940 spectrum 1 weight 0.10000E+01 volume 0.71950E-03 ppm1 7.415 ppm2 9.000 CV 1 ASSI { 4941} (( segid " " and resid 19 and name HE )) (( segid " " and resid 14 and name HN )) 3.300 3.300 2.700 peak 4941 spectrum 1 weight 0.10000E+01 volume 0.68905E-03 ppm1 7.204 ppm2 9.000 CV 1 ASSI { 4942} ( segid " " and resid 21 and name HE% ) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 4942 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 6.900 ppm2 9.000 CV 1 ASSI { 4946} (( segid " " and resid 23 and name HE )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 4946 spectrum 1 weight 0.10000E+01 volume 0.97698E-03 ppm1 8.093 ppm2 8.895 CV 1 ASSI { 4947} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 2.300 0.600 0.600 peak 4947 spectrum 1 weight 0.10000E+01 volume 0.65364E-02 ppm1 7.415 ppm2 8.895 CV 1 ASSI { 4948} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 4948 spectrum 1 weight 0.10000E+01 volume 0.90649E-03 ppm1 7.204 ppm2 8.895 CV 1 ASSI { 4949} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 25 and name HN )) 3.700 1.800 1.800 peak 4949 spectrum 1 weight 0.10000E+01 volume 0.31411E-03 ppm1 7.041 ppm2 8.895 CV 1 ASSI { 4953} ( segid " " and resid 21 and name HE% ) (( segid " " and resid 21 and name HN )) 2.900 2.900 3.100 peak 4953 spectrum 1 weight 0.10000E+01 volume 0.14320E-02 ppm1 6.900 ppm2 8.737 CV 1 ASSI { 4954} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.300 0.600 0.600 peak 4954 spectrum 1 weight 0.10000E+01 volume 0.61723E-02 ppm1 8.233 ppm2 8.732 CV 1 ASSI { 4958} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 2.700 3.300 peak 4958 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 7.719 ppm2 8.732 CV 1 ASSI { 4960} ( segid " " and resid 21 and name HD% ) (( segid " " and resid 21 and name HN )) 2.300 0.600 0.600 peak 4960 spectrum 1 weight 0.10000E+01 volume 0.63345E-02 ppm1 7.415 ppm2 8.732 CV 1 ASSI { 4965} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 4965 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 7.532 ppm2 8.673 CV 1 ASSI { 4966} ( segid " " and resid 12 and name HE% ) (( segid " " and resid 24 and name HN )) 2.400 0.700 0.700 peak 4966 spectrum 1 weight 0.10000E+01 volume 0.46268E-02 ppm1 7.415 ppm2 8.673 CV 1 OR { 4966} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HN )) ASSI { 4968} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.800 0.900 0.900 peak 4968 spectrum 1 weight 0.10000E+01 volume 0.19785E-02 ppm1 8.233 ppm2 8.667 CV 1 ASSI { 4979} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.400 0.700 0.700 peak 4979 spectrum 1 weight 0.10000E+01 volume 0.48816E-02 ppm1 7.508 ppm2 8.585 CV 1 ASSI { 4981} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.400 0.700 0.700 peak 4981 spectrum 1 weight 0.10000E+01 volume 0.43223E-02 ppm1 7.298 ppm2 8.585 CV 1 ASSI { 4982} (( segid " " and resid 19 and name HE )) (( segid " " and resid 31 and name HN )) 2.800 2.800 3.200 peak 4982 spectrum 1 weight 0.10000E+01 volume 0.18358E-02 ppm1 7.204 ppm2 8.585 CV 1 ASSI { 4984} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 31 and name HN )) 3.400 1.500 1.500 peak 4984 spectrum 1 weight 0.10000E+01 volume 0.54078E-03 ppm1 6.760 ppm2 8.585 CV 1 ASSI { 4988} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.600 0.900 0.900 peak 4988 spectrum 1 weight 0.10000E+01 volume 0.26056E-02 ppm1 8.070 ppm2 8.487 CV 1 ASSI { 5006} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.600 0.900 0.900 peak 5006 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 7.836 ppm2 8.241 CV 1 ASSI { 5007} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 5007 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 7.765 ppm2 8.241 CV 1 ASSI { 5008} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 5008 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 7.649 ppm2 8.241 CV 1 ASSI { 5011} (( segid " " and resid 34 and name HN )) (( segid " " and resid 36 and name HN )) 2.800 2.800 3.200 peak 5011 spectrum 1 weight 0.10000E+01 volume 0.19255E-02 ppm1 7.415 ppm2 8.235 CV 1 OR { 5011} ( segid " " and resid 12 and name HE% ) (( segid " " and resid 12 and name HN )) OR { 5011} ( segid " " and resid 21 and name HD% ) (( segid " " and resid 12 and name HN )) ASSI { 5016} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HE )) 3.400 3.400 2.600 peak 5016 spectrum 1 weight 0.10000E+01 volume 0.59307E-03 ppm1 7.532 ppm2 8.094 CV 1 ASSI { 5017} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HE )) 3.100 1.200 1.200 peak 5017 spectrum 1 weight 0.10000E+01 volume 0.10627E-02 ppm1 7.415 ppm2 8.094 CV 1 ASSI { 5018} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 23 and name HE )) 2.600 0.800 0.800 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.27631E-02 ppm1 7.041 ppm2 8.094 CV 1 ASSI { 5028} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 2.500 0.800 0.800 peak 5028 spectrum 1 weight 0.10000E+01 volume 0.37365E-02 ppm1 7.485 ppm2 7.995 CV 1 ASSI { 5029} ( segid " " and resid 21 and name HD% ) (( segid " " and resid 28 and name HN )) 3.000 3.000 3.000 peak 5029 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 7.415 ppm2 7.995 CV 1 ASSI { 5030} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 5030 spectrum 1 weight 0.10000E+01 volume 0.24875E-02 ppm1 7.204 ppm2 7.995 CV 1 ASSI { 5056} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 5056 spectrum 1 weight 0.10000E+01 volume 0.24901E-03 ppm1 6.760 ppm2 7.755 CV 1 ASSI { 5057} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 5057 spectrum 1 weight 0.10000E+01 volume 0.41535E-02 ppm1 7.391 ppm2 7.750 CV 1 ASSI { 5058} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.500 0.800 0.800 peak 5058 spectrum 1 weight 0.10000E+01 volume 0.34320E-02 ppm1 7.298 ppm2 7.750 CV 1 ASSI { 5061} (( segid " " and resid 19 and name HE )) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 5061 spectrum 1 weight 0.10000E+01 volume 0.50934E-03 ppm1 7.204 ppm2 7.720 CV 1 ASSI { 5062} ( segid " " and resid 21 and name HE% ) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.41204E-03 ppm1 6.900 ppm2 7.720 CV 1 ASSI { 5068} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.300 0.700 0.700 peak 5068 spectrum 1 weight 0.10000E+01 volume 0.55137E-02 ppm1 7.391 ppm2 7.650 CV 1 ASSI { 5078} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HN )) 3.000 1.100 1.100 peak 5078 spectrum 1 weight 0.10000E+01 volume 0.11696E-02 ppm1 7.204 ppm2 7.504 CV 1 ASSI { 5080} (( segid " " and resid 21 and name HZ )) (( segid " " and resid 30 and name HN )) 4.100 2.100 2.100 peak 5080 spectrum 1 weight 0.10000E+01 volume 0.17640E-03 ppm1 6.316 ppm2 7.504 CV 1 ASSI { 5089} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 26 and name HN )) 2.500 0.800 0.800 peak 5089 spectrum 1 weight 0.10000E+01 volume 0.31845E-02 ppm1 7.041 ppm2 7.428 CV 1 ASSI { 5102} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 2.700 2.700 3.300 peak 5102 spectrum 1 weight 0.10000E+01 volume 0.24176E-02 ppm1 6.760 ppm2 7.393 CV 1 ASSI { 5130} (( segid " " and resid 21 and name HZ )) (( segid " " and resid 19 and name HE )) 3.000 1.100 1.100 peak 5130 spectrum 1 weight 0.10000E+01 volume 0.12116E-02 ppm1 6.316 ppm2 7.206 CV 1 ASSI { 5131} ( segid " " and resid 21 and name HE% ) (( segid " " and resid 19 and name HE )) 2.500 2.500 3.500 peak 5131 spectrum 1 weight 0.10000E+01 volume 0.35445E-02 ppm1 6.900 ppm2 7.200 CV 1 ASSI { 5132} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 19 and name HE )) 2.600 2.600 3.400 peak 5132 spectrum 1 weight 0.10000E+01 volume 0.25070E-02 ppm1 6.760 ppm2 7.200 CV 1 ASSI { 5142} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 5142 spectrum 1 weight 0.10000E+01 volume 0.47393E-03 ppm1 8.747 ppm2 9.830 CV 1 ASSI { 5148} (( segid " " and resid 19 and name HN )) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 5148 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 8.724 ppm2 8.995 CV 1 ASSI { 5149} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 5149 spectrum 1 weight 0.10000E+01 volume 0.74035E-03 ppm1 8.654 ppm2 8.995 CV 1 ASSI { 5151} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.400 0.700 0.700 peak 5151 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 8.677 ppm2 8.895 CV 1 ASSI { 5170} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB )) 2.900 1.100 1.100 peak 5170 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 4.399 ppm2 4.261 CV 1 ASSI { 5171} ( segid " " and resid 27 and name HD2%) ( segid " " and resid 21 and name HE% ) 3.000 1.100 1.100 peak 5171 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 1.084 ppm2 6.894 CV 1 ASSI { 5172} (( segid " " and resid 30 and name HA )) (( segid " " and resid 19 and name HE )) 3.600 1.600 1.600 peak 5172 spectrum 1 weight 0.10000E+01 volume 0.41436E-03 ppm1 4.198 ppm2 7.198 CV 1 ASSI { 5174} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 5174 spectrum 1 weight 0.10000E+01 volume 0.74928E-03 ppm1 3.882 ppm2 8.376 CV 1 ASSI { 5175} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 23 and name HN )) 2.800 2.800 3.200 peak 5175 spectrum 1 weight 0.10000E+01 volume 0.18431E-02 ppm1 4.082 ppm2 7.535 CV 1 ASSI { 5176} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 16 and name HN )) 2.700 2.700 3.300 peak 5176 spectrum 1 weight 0.10000E+01 volume 0.23071E-02 ppm1 2.041 ppm2 9.294 CV 1 ASSI { 5177} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 5177 spectrum 1 weight 0.10000E+01 volume 0.15121E-02 ppm1 1.509 ppm2 7.294 CV 1 OR { 5177} (( segid " " and resid 32 and name HG3 )) (( segid " " and resid 32 and name HN )) ASSI { 5179} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HB3 )) 2.000 2.000 4.000 peak 5179 spectrum 1 weight 0.10000E+01 volume 0.11709E-01 ppm1 2.065 ppm2 1.163 CV 1 ASSI { 5180} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 20 and name HN )) 3.600 1.700 1.700 peak 5180 spectrum 1 weight 0.10000E+01 volume 0.37133E-03 ppm1 1.738 ppm2 7.719 CV 1 ASSI { 5181} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 21 and name HD% ) 2.500 2.500 3.500 peak 5181 spectrum 1 weight 0.10000E+01 volume 0.33824E-02 ppm1 3.133 ppm2 7.413 CV 1 OR { 5181} (( segid " " and resid 19 and name HD2 )) ( segid " " and resid 21 and name HD% ) ASSI { 5182} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 12 and name HD% ) 3.200 1.300 1.300 peak 5182 spectrum 1 weight 0.10000E+01 volume 0.77874E-03 ppm1 3.025 ppm2 7.182 CV 1 OR { 5182} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 12 and name HD% ) ASSI { 5183} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 27 and name HN )) 6.000 4.500 1.000 peak 5183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.443 ppm2 7.183 CV 1 ASSI { 5186} ( segid " " and resid 12 and name HD% ) (( segid " " and resid 12 and name HN )) 2.600 0.900 0.900 peak 5186 spectrum 1 weight 0.10000E+01 volume 0.27350E-02 ppm1 7.180 ppm2 8.232 CV 1 ASSI { 5187} ( segid " " and resid 12 and name HD% ) ( segid " " and resid 12 and name HE% ) 2.000 0.500 0.500 peak 5187 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 7.181 ppm2 7.414 CV 1 ASSI { 5189} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HE22)) 3.400 1.500 1.500 peak 5189 spectrum 1 weight 0.10000E+01 volume 0.51298E-03 ppm1 2.055 ppm2 6.238 CV 1 OR { 5189} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HE22)) ASSI { 5190} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 13 and name HE22)) 2.700 0.900 0.900 peak 5190 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 2.176 ppm2 6.237 CV 1 ASSI { 5191} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HE22)) 3.100 1.200 1.200 peak 5191 spectrum 1 weight 0.10000E+01 volume 0.93660E-03 ppm1 2.300 ppm2 6.238 CV 1 ASSI { 5192} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 13 and name HE22)) 3.800 1.800 1.800 peak 5192 spectrum 1 weight 0.10000E+01 volume 0.30719E-03 ppm1 3.580 ppm2 6.237 CV 1 ASSI { 5193} (( segid " " and resid 18 and name HA )) (( segid " " and resid 13 and name HE22)) 6.000 4.500 1.000 peak 5193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.598 ppm2 6.237 CV 1 ASSI { 5195} (( segid " " and resid 13 and name HE22)) (( segid " " and resid 14 and name HN )) 3.000 3.000 3.000 peak 5195 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 6.235 ppm2 9.000 CV 1 ASSI { 5196} (( segid " " and resid 13 and name HE22)) (( segid " " and resid 9 and name HN )) 2.900 2.900 3.100 peak 5196 spectrum 1 weight 0.10000E+01 volume 0.13238E-02 ppm1 6.235 ppm2 8.058 CV 1 ASSI { 5197} (( segid " " and resid 13 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.500 2.500 3.500 peak 5197 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 4.332 ppm2 3.576 CV 1 OR { 5197} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HB2 ))
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