NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
11849 | 1s6i | 6104 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 63 and name HG2%) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.11000E+01 volume 0.23640E-02 ppm1 9.111 ppm2 1.267 CV 1 ASSI { 5} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 67 and name HB2 )) 1.800 0.400 0.400 peak 5 spectrum 1 weight 0.11000E+01 volume 0.57433E-02 ppm1 9.106 ppm2 2.535 CV 1 ASSI { 6} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HA )) 2.500 0.800 0.800 peak 6 spectrum 1 weight 0.11000E+01 volume 0.24550E-02 ppm1 9.101 ppm2 5.292 CV 1 ASSI { 8} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HB )) 2.500 0.800 0.800 peak 8 spectrum 1 weight 0.11000E+01 volume 0.20709E-02 ppm1 10.162 ppm2 1.708 CV 1 ASSI { 9} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 63 and name HN )) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.11000E+01 volume 0.47084E-02 ppm1 9.750 ppm2 9.678 CV 1 ASSI { 10} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HA )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.11000E+01 volume 0.18872E-02 ppm1 9.749 ppm2 4.956 CV 1 ASSI { 11} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HB )) 2.000 0.500 0.500 peak 11 spectrum 1 weight 0.11000E+01 volume 0.78094E-02 ppm1 9.748 ppm2 1.764 CV 1 ASSI { 15} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 27 and name HB )) 2.300 0.700 0.700 peak 15 spectrum 1 weight 0.11000E+01 volume 0.15638E-02 ppm1 9.668 ppm2 1.764 CV 1 ASSI { 16} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 62 and name HG2%) 2.600 0.900 0.900 peak 16 spectrum 1 weight 0.11000E+01 volume 0.27716E-02 ppm1 9.670 ppm2 1.094 CV 1 ASSI { 18} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 128 and name HN )) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.11000E+01 volume 0.44526E-02 ppm1 8.639 ppm2 8.161 CV 1 ASSI { 20} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 127 and name HB1 )) 2.900 1.000 1.000 peak 20 spectrum 1 weight 0.11000E+01 volume 0.33954E-02 ppm1 8.638 ppm2 2.087 CV 1 ASSI { 22} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HA )) 2.500 0.800 0.800 peak 22 spectrum 1 weight 0.11000E+01 volume 0.46073E-02 ppm1 8.028 ppm2 3.903 CV 1 ASSI { 23} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HN )) 5.200 3.400 0.800 peak 23 spectrum 1 weight 0.11000E+01 volume 0.21958E-03 ppm1 8.023 ppm2 8.102 CV 1 ASSI { 24} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 94 and name HN )) 2.600 0.800 0.800 peak 24 spectrum 1 weight 0.11000E+01 volume 0.56290E-02 ppm1 7.928 ppm2 8.010 CV 1 ASSI { 25} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HB )) 2.300 0.700 0.700 peak 25 spectrum 1 weight 0.11000E+01 volume 0.72421E-02 ppm1 8.028 ppm2 2.042 CV 1 ASSI { 26} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 57 and name HG2%) 4.300 2.300 1.700 peak 26 spectrum 1 weight 0.11000E+01 volume 0.18998E-02 ppm1 8.027 ppm2 1.036 CV 1 ASSI { 28} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HG11)) 3.200 1.300 1.300 peak 28 spectrum 1 weight 0.11000E+01 volume 0.26069E-02 ppm1 8.024 ppm2 1.656 CV 1 ASSI { 30} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HA )) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.11000E+01 volume 0.36492E-02 ppm1 7.970 ppm2 3.946 CV 1 ASSI { 31} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HB2 )) 1.800 0.400 0.400 peak 31 spectrum 1 weight 0.11000E+01 volume 0.12833E-01 ppm1 7.970 ppm2 1.821 CV 1 ASSI { 32} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 87 and name HB% ) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.11000E+01 volume 0.39481E-02 ppm1 8.060 ppm2 1.849 CV 1 ASSI { 33} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HB2 )) 2.900 1.100 1.100 peak 33 spectrum 1 weight 0.11000E+01 volume 0.82401E-03 ppm1 9.194 ppm2 1.890 CV 1 OR { 33} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HG1 )) ASSI { 40} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 137 and name HA )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.11000E+01 volume 0.24016E-02 ppm1 8.631 ppm2 4.093 CV 1 ASSI { 45} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HB2 )) 1.800 0.400 0.400 peak 45 spectrum 1 weight 0.11000E+01 volume 0.86066E-02 ppm1 8.629 ppm2 1.937 CV 1 ASSI { 50} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 138 and name HB2 )) 2.200 0.600 0.600 peak 50 spectrum 1 weight 0.11000E+01 volume 0.36180E-02 ppm1 8.781 ppm2 3.341 CV 1 ASSI { 52} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HN )) 3.400 1.500 1.500 peak 52 spectrum 1 weight 0.11000E+01 volume 0.42855E-03 ppm1 8.778 ppm2 8.633 CV 1 ASSI { 53} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 138 and name HB1 )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.38908E-02 ppm1 8.779 ppm2 3.184 CV 1 ASSI { 55} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 55 spectrum 1 weight 0.11000E+01 volume 0.61275E-02 ppm1 7.813 ppm2 1.743 CV 1 ASSI { 58} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HB2 )) 3.400 1.500 1.500 peak 58 spectrum 1 weight 0.11000E+01 volume 0.47977E-02 ppm1 7.797 ppm2 2.809 CV 1 ASSI { 60} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HB1 )) 2.900 1.000 1.000 peak 60 spectrum 1 weight 0.11000E+01 volume 0.16746E-02 ppm1 7.792 ppm2 2.678 CV 1 ASSI { 61} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HA )) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.36286E-02 ppm1 7.787 ppm2 4.045 CV 1 ASSI { 63} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HA )) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.11000E+01 volume 0.17009E-02 ppm1 9.070 ppm2 3.877 CV 1 ASSI { 65} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 68 and name HN )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.24103E-02 ppm1 8.431 ppm2 8.847 CV 1 ASSI { 67} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HG1 )) 1.800 0.400 0.400 peak 67 spectrum 1 weight 0.11000E+01 volume 0.59235E-02 ppm1 8.432 ppm2 2.960 CV 1 ASSI { 68} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HB2 )) 2.300 0.700 0.700 peak 68 spectrum 1 weight 0.11000E+01 volume 0.45955E-02 ppm1 8.430 ppm2 2.533 CV 1 ASSI { 69} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HG2 )) 3.700 1.700 1.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.19468E-02 ppm1 8.430 ppm2 2.418 CV 1 ASSI { 75} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 48 and name HD1%) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.11000E+01 volume 0.27694E-02 ppm1 8.198 ppm2 0.753 CV 1 OR { 75} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 48 and name HG2%) ASSI { 76} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HG )) 2.100 0.600 0.600 peak 76 spectrum 1 weight 0.11000E+01 volume 0.10069E-01 ppm1 7.844 ppm2 1.644 CV 1 ASSI { 77} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HB2 )) 2.100 0.600 0.600 peak 77 spectrum 1 weight 0.11000E+01 volume 0.87603E-02 ppm1 7.845 ppm2 1.527 CV 1 ASSI { 78} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HB1 )) 4.300 2.300 1.700 peak 78 spectrum 1 weight 0.11000E+01 volume 0.63230E-03 ppm1 7.845 ppm2 1.410 CV 1 ASSI { 83} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HN )) 2.300 0.700 0.700 peak 83 spectrum 1 weight 0.11000E+01 volume 0.48694E-02 ppm1 7.789 ppm2 8.356 CV 1 ASSI { 84} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 28 and name HG2%) 4.600 2.600 1.400 peak 84 spectrum 1 weight 0.11000E+01 volume 0.11779E-02 ppm1 9.418 ppm2 1.276 CV 1 ASSI { 85} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HA )) 2.500 0.800 0.800 peak 85 spectrum 1 weight 0.11000E+01 volume 0.44561E-02 ppm1 8.853 ppm2 3.960 CV 1 ASSI { 86} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HB1 )) 1.900 0.500 0.500 peak 86 spectrum 1 weight 0.11000E+01 volume 0.12156E-01 ppm1 8.854 ppm2 3.281 CV 1 ASSI { 88} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 49 and name HN )) 2.300 0.600 0.600 peak 88 spectrum 1 weight 0.11000E+01 volume 0.53309E-02 ppm1 8.141 ppm2 8.352 CV 1 ASSI { 89} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HN )) 2.200 0.600 0.600 peak 89 spectrum 1 weight 0.11000E+01 volume 0.43297E-02 ppm1 8.141 ppm2 7.068 CV 1 ASSI { 95} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB2 )) 2.000 0.500 0.500 peak 95 spectrum 1 weight 0.11000E+01 volume 0.96538E-02 ppm1 7.068 ppm2 2.520 CV 1 ASSI { 99} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB2 )) 2.000 0.500 0.500 peak 99 spectrum 1 weight 0.11000E+01 volume 0.84014E-02 ppm1 9.416 ppm2 3.373 CV 1 ASSI { 100} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB1 )) 2.500 0.800 0.800 peak 100 spectrum 1 weight 0.11000E+01 volume 0.91867E-02 ppm1 9.416 ppm2 3.067 CV 1 ASSI { 101} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 52 and name HE% ) 3.000 1.100 1.100 peak 101 spectrum 1 weight 0.11000E+01 volume 0.19583E-02 ppm1 9.416 ppm2 2.033 CV 1 ASSI { 102} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 100 and name HG2%) 4.300 2.300 1.700 peak 102 spectrum 1 weight 0.11000E+01 volume 0.14628E-02 ppm1 9.072 ppm2 1.275 CV 1 ASSI { 104} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HB2 )) 2.600 0.900 0.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.20439E-02 ppm1 8.855 ppm2 2.535 CV 1 ASSI { 107} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HA )) 2.800 1.000 1.000 peak 107 spectrum 1 weight 0.11000E+01 volume 0.22479E-02 ppm1 8.347 ppm2 3.968 CV 1 ASSI { 109} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HB1 )) 2.500 0.800 0.800 peak 109 spectrum 1 weight 0.11000E+01 volume 0.36348E-02 ppm1 7.946 ppm2 1.872 CV 1 ASSI { 112} (( segid "A " and resid 49 and name HN )) ( segid "A " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 112 spectrum 1 weight 0.11000E+01 volume 0.46433E-02 ppm1 8.351 ppm2 0.769 CV 1 ASSI { 114} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HN )) 2.400 0.700 0.700 peak 114 spectrum 1 weight 0.11000E+01 volume 0.37593E-02 ppm1 8.345 ppm2 7.706 CV 1 ASSI { 118} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HB2 )) 2.000 0.500 0.500 peak 118 spectrum 1 weight 0.11000E+01 volume 0.77994E-02 ppm1 7.890 ppm2 2.091 CV 1 ASSI { 120} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HB% ) 2.500 0.800 0.800 peak 120 spectrum 1 weight 0.11000E+01 volume 0.59147E-02 ppm1 7.441 ppm2 1.532 CV 1 ASSI { 122} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 139 and name HB% ) 2.900 1.100 1.100 peak 122 spectrum 1 weight 0.11000E+01 volume 0.23193E-02 ppm1 8.958 ppm2 1.171 CV 1 ASSI { 123} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HN )) 2.600 0.800 0.800 peak 123 spectrum 1 weight 0.11000E+01 volume 0.17721E-02 ppm1 7.962 ppm2 7.538 CV 1 ASSI { 129} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HB2 )) 3.700 1.700 1.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.66296E-03 ppm1 7.913 ppm2 1.698 CV 1 ASSI { 130} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HA )) 2.100 0.500 0.500 peak 130 spectrum 1 weight 0.11000E+01 volume 0.87273E-02 ppm1 9.286 ppm2 4.304 CV 1 ASSI { 131} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HB1 )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.11000E+01 volume 0.26059E-02 ppm1 9.289 ppm2 1.407 CV 1 ASSI { 132} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HG2 )) 2.200 0.600 0.600 peak 132 spectrum 1 weight 0.11000E+01 volume 0.70806E-02 ppm1 9.281 ppm2 2.837 CV 1 ASSI { 133} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HG1 )) 2.500 0.800 0.800 peak 133 spectrum 1 weight 0.11000E+01 volume 0.46357E-02 ppm1 9.278 ppm2 2.700 CV 1 ASSI { 134} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 134 spectrum 1 weight 0.11000E+01 volume 0.44255E-02 ppm1 9.282 ppm2 2.518 CV 1 ASSI { 140} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 126 and name HB2 )) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.72331E-02 ppm1 8.178 ppm2 2.898 CV 1 ASSI { 141} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 126 and name HB1 )) 2.000 0.500 0.500 peak 141 spectrum 1 weight 0.11000E+01 volume 0.61838E-02 ppm1 8.177 ppm2 2.494 CV 1 ASSI { 144} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HB2 )) 2.000 0.500 0.500 peak 144 spectrum 1 weight 0.11000E+01 volume 0.12576E-01 ppm1 7.516 ppm2 3.077 CV 1 ASSI { 145} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HB1 )) 2.100 0.500 0.500 peak 145 spectrum 1 weight 0.11000E+01 volume 0.15195E-01 ppm1 7.517 ppm2 2.992 CV 1 ASSI { 147} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 37 and name HN )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.11000E+01 volume 0.21712E-02 ppm1 8.405 ppm2 7.489 CV 1 ASSI { 155} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HB )) 1.900 0.500 0.500 peak 155 spectrum 1 weight 0.11000E+01 volume 0.63051E-02 ppm1 7.840 ppm2 1.478 CV 1 ASSI { 160} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 108 and name HN )) 2.700 0.900 0.900 peak 160 spectrum 1 weight 0.11000E+01 volume 0.37177E-02 ppm1 7.933 ppm2 8.137 CV 1 ASSI { 161} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 107 and name HB% ) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.11000E+01 volume 0.59779E-02 ppm1 7.933 ppm2 1.399 CV 1 ASSI { 162} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HB1 )) 1.900 0.400 0.400 peak 162 spectrum 1 weight 0.11000E+01 volume 0.15067E-01 ppm1 7.923 ppm2 2.119 CV 1 ASSI { 163} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 106 and name HN )) 2.300 0.600 0.600 peak 163 spectrum 1 weight 0.11000E+01 volume 0.76265E-02 ppm1 7.910 ppm2 7.999 CV 1 ASSI { 168} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 122 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.11000E+01 volume 0.89845E-02 ppm1 7.919 ppm2 8.246 CV 1 ASSI { 169} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HB2 )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.11000E+01 volume 0.80393E-02 ppm1 7.919 ppm2 2.234 CV 1 ASSI { 181} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HA )) 2.500 0.800 0.800 peak 181 spectrum 1 weight 0.11000E+01 volume 0.84442E-02 ppm1 7.773 ppm2 4.068 CV 1 ASSI { 183} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 55 and name HN )) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.11000E+01 volume 0.40694E-02 ppm1 7.764 ppm2 8.078 CV 1 ASSI { 185} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 185 spectrum 1 weight 0.11000E+01 volume 0.87484E-03 ppm1 7.544 ppm2 2.662 CV 1 ASSI { 192} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.11000E+01 volume 0.56015E-02 ppm1 8.404 ppm2 3.974 CV 1 ASSI { 196} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HB2 )) 4.000 2.000 2.000 peak 196 spectrum 1 weight 0.11000E+01 volume 0.11151E-02 ppm1 7.919 ppm2 2.799 CV 1 ASSI { 199} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HN )) 2.400 0.700 0.700 peak 199 spectrum 1 weight 0.11000E+01 volume 0.44850E-02 ppm1 7.763 ppm2 8.360 CV 1 ASSI { 205} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 205 spectrum 1 weight 0.11000E+01 volume 0.80889E-02 ppm1 8.722 ppm2 3.355 CV 1 ASSI { 207} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB2 )) 2.200 0.600 0.600 peak 207 spectrum 1 weight 0.11000E+01 volume 0.71882E-02 ppm1 8.722 ppm2 2.564 CV 1 ASSI { 209} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB1 )) 2.300 0.600 0.600 peak 209 spectrum 1 weight 0.11000E+01 volume 0.93546E-02 ppm1 8.721 ppm2 2.301 CV 1 ASSI { 210} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HB1 )) 3.400 1.400 1.400 peak 210 spectrum 1 weight 0.11000E+01 volume 0.20235E-02 ppm1 8.632 ppm2 3.225 CV 1 ASSI { 211} (( segid "A " and resid 88 and name HN )) ( segid "A " and resid 87 and name HB% ) 2.900 1.100 1.100 peak 211 spectrum 1 weight 0.11000E+01 volume 0.22472E-02 ppm1 8.632 ppm2 1.847 CV 1 ASSI { 212} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 17 and name HN )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.11000E+01 volume 0.14031E-02 ppm1 8.446 ppm2 7.834 CV 1 ASSI { 214} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HB2 )) 2.700 0.900 0.900 peak 214 spectrum 1 weight 0.11000E+01 volume 0.30559E-02 ppm1 8.445 ppm2 2.762 CV 1 ASSI { 215} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.000 0.500 0.500 peak 215 spectrum 1 weight 0.11000E+01 volume 0.82661E-02 ppm1 8.405 ppm2 2.474 CV 1 ASSI { 216} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 216 spectrum 1 weight 0.11000E+01 volume 0.14802E-01 ppm1 8.403 ppm2 1.978 CV 1 ASSI { 217} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HB1 )) 3.900 1.900 1.900 peak 217 spectrum 1 weight 0.11000E+01 volume 0.42926E-03 ppm1 8.394 ppm2 1.738 CV 1 ASSI { 221} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.15063E-02 ppm1 8.341 ppm2 2.485 CV 1 OR { 221} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HG2 )) ASSI { 223} (( segid "A " and resid 140 and name HN )) ( segid "A " and resid 140 and name HB% ) 2.700 2.700 3.300 peak 223 spectrum 1 weight 0.11000E+01 volume 0.38457E-02 ppm1 7.736 ppm2 1.532 CV 1 ASSI { 225} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB2 )) 1.900 0.500 0.500 peak 225 spectrum 1 weight 0.11000E+01 volume 0.21468E-01 ppm1 7.539 ppm2 2.011 CV 1 OR { 225} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB1 )) ASSI { 226} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HN )) 2.100 0.600 0.600 peak 226 spectrum 1 weight 0.11000E+01 volume 0.89588E-02 ppm1 7.494 ppm2 7.857 CV 1 ASSI { 228} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HA )) 1.900 0.400 0.400 peak 228 spectrum 1 weight 0.11000E+01 volume 0.78785E-02 ppm1 8.748 ppm2 4.997 CV 1 ASSI { 229} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HB2 )) 1.800 0.400 0.400 peak 229 spectrum 1 weight 0.11000E+01 volume 0.10595E-01 ppm1 8.748 ppm2 2.357 CV 1 OR { 229} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HG2 )) ASSI { 230} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HB1 )) 3.500 1.600 1.600 peak 230 spectrum 1 weight 0.11000E+01 volume 0.19304E-02 ppm1 8.748 ppm2 2.147 CV 1 ASSI { 232} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 27 and name HG2%) 2.900 1.100 1.100 peak 232 spectrum 1 weight 0.11000E+01 volume 0.29896E-02 ppm1 8.747 ppm2 0.869 CV 1 ASSI { 233} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 134 and name HB2 )) 2.700 0.900 0.900 peak 233 spectrum 1 weight 0.11000E+01 volume 0.10237E-01 ppm1 8.547 ppm2 3.192 CV 1 ASSI { 235} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.11000E+01 volume 0.22909E-02 ppm1 8.536 ppm2 2.452 CV 1 ASSI { 236} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HB1 )) 3.200 1.200 1.200 peak 236 spectrum 1 weight 0.11000E+01 volume 0.87067E-03 ppm1 8.536 ppm2 2.105 CV 1 ASSI { 238} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HN )) 2.300 0.700 0.700 peak 238 spectrum 1 weight 0.11000E+01 volume 0.45421E-02 ppm1 8.439 ppm2 7.942 CV 1 ASSI { 240} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 104 and name HG2%) 3.100 1.200 1.200 peak 240 spectrum 1 weight 0.11000E+01 volume 0.21654E-02 ppm1 8.425 ppm2 0.825 CV 1 ASSI { 243} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HD2 )) 2.800 2.800 3.200 peak 243 spectrum 1 weight 0.11000E+01 volume 0.95836E-02 ppm1 7.782 ppm2 1.525 CV 1 ASSI { 245} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HB1 )) 2.500 0.800 0.800 peak 245 spectrum 1 weight 0.11000E+01 volume 0.55354E-02 ppm1 7.711 ppm2 2.678 CV 1 ASSI { 247} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HB2 )) 2.300 0.700 0.700 peak 247 spectrum 1 weight 0.11000E+01 volume 0.88881E-02 ppm1 7.708 ppm2 2.789 CV 1 ASSI { 250} (( segid "A " and resid 71 and name HN )) ( segid "A " and resid 71 and name HB% ) 2.200 0.600 0.600 peak 250 spectrum 1 weight 0.11000E+01 volume 0.98104E-02 ppm1 7.650 ppm2 1.427 CV 1 ASSI { 253} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB2 )) 2.900 1.100 1.100 peak 253 spectrum 1 weight 0.11000E+01 volume 0.25911E-02 ppm1 7.488 ppm2 1.852 CV 1 OR { 253} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HG )) ASSI { 255} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HB1 )) 3.300 1.300 1.300 peak 255 spectrum 1 weight 0.11000E+01 volume 0.33440E-02 ppm1 8.421 ppm2 2.224 CV 1 ASSI { 256} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HN )) 2.300 0.700 0.700 peak 256 spectrum 1 weight 0.11000E+01 volume 0.50541E-02 ppm1 8.419 ppm2 7.971 CV 1 ASSI { 257} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB2 )) 3.700 1.700 1.700 peak 257 spectrum 1 weight 0.11000E+01 volume 0.46411E-03 ppm1 7.996 ppm2 3.117 CV 1 ASSI { 260} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HA )) 2.600 0.900 0.900 peak 260 spectrum 1 weight 0.11000E+01 volume 0.38441E-02 ppm1 7.920 ppm2 4.056 CV 1 ASSI { 262} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HB2 )) 3.400 1.500 1.500 peak 262 spectrum 1 weight 0.11000E+01 volume 0.15175E-02 ppm1 7.874 ppm2 1.570 CV 1 OR { 262} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HD2 )) ASSI { 270} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 141 and name HN )) 2.800 0.900 0.900 peak 270 spectrum 1 weight 0.11000E+01 volume 0.18901E-02 ppm1 7.669 ppm2 7.489 CV 1 ASSI { 272} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 51 and name HN )) 2.300 0.700 0.700 peak 272 spectrum 1 weight 0.11000E+01 volume 0.57022E-02 ppm1 7.706 ppm2 7.809 CV 1 ASSI { 275} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HN )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.11000E+01 volume 0.38468E-02 ppm1 8.452 ppm2 7.729 CV 1 ASSI { 276} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HB1 )) 2.900 1.100 1.100 peak 276 spectrum 1 weight 0.11000E+01 volume 0.55603E-02 ppm1 8.453 ppm2 2.475 CV 1 ASSI { 278} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HB2 )) 3.800 1.800 1.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.66299E-03 ppm1 7.933 ppm2 2.790 CV 1 ASSI { 281} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HB2 )) 2.300 0.700 0.700 peak 281 spectrum 1 weight 0.11000E+01 volume 0.86893E-02 ppm1 7.887 ppm2 2.138 CV 1 ASSI { 284} (( segid "A " and resid 116 and name HN )) ( segid "A " and resid 116 and name HD1%) 4.000 2.000 2.000 peak 284 spectrum 1 weight 0.11000E+01 volume 0.22993E-02 ppm1 7.874 ppm2 0.824 CV 1 OR { 284} (( segid "A " and resid 116 and name HN )) ( segid "A " and resid 116 and name HG2%) ASSI { 286} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HB2 )) 2.500 0.800 0.800 peak 286 spectrum 1 weight 0.11000E+01 volume 0.65595E-02 ppm1 7.869 ppm2 2.806 CV 1 ASSI { 288} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HB2 )) 2.200 0.600 0.600 peak 288 spectrum 1 weight 0.11000E+01 volume 0.52407E-02 ppm1 7.870 ppm2 2.592 CV 1 OR { 288} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HB1 )) ASSI { 291} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HN )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.11000E+01 volume 0.40695E-02 ppm1 7.736 ppm2 8.257 CV 1 ASSI { 292} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HA )) 2.300 0.700 0.700 peak 292 spectrum 1 weight 0.11000E+01 volume 0.72012E-02 ppm1 7.737 ppm2 4.122 CV 1 ASSI { 295} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HN )) 2.400 0.700 0.700 peak 295 spectrum 1 weight 0.11000E+01 volume 0.46414E-02 ppm1 7.528 ppm2 8.382 CV 1 ASSI { 297} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 131 and name HN )) 2.100 2.100 3.900 peak 297 spectrum 1 weight 0.11000E+01 volume 0.12158E-01 ppm1 8.453 ppm2 10.219 CV 1 ASSI { 298} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 298 spectrum 1 weight 0.11000E+01 volume 0.21046E-02 ppm1 8.455 ppm2 2.915 CV 1 ASSI { 300} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HG2 )) 2.200 0.600 0.600 peak 300 spectrum 1 weight 0.11000E+01 volume 0.18075E-02 ppm1 8.397 ppm2 1.227 CV 1 ASSI { 303} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HA )) 2.600 0.900 0.900 peak 303 spectrum 1 weight 0.11000E+01 volume 0.28968E-02 ppm1 8.258 ppm2 3.578 CV 1 ASSI { 304} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HB )) 2.000 0.500 0.500 peak 304 spectrum 1 weight 0.11000E+01 volume 0.10763E-01 ppm1 8.257 ppm2 2.014 CV 1 ASSI { 305} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HG12)) 2.800 1.000 1.000 peak 305 spectrum 1 weight 0.11000E+01 volume 0.50606E-02 ppm1 8.257 ppm2 1.667 CV 1 ASSI { 306} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 125 and name HB )) 3.000 3.000 3.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.91000E-02 ppm1 7.734 ppm2 1.827 CV 1 ASSI { 310} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB2 )) 1.800 0.400 0.400 peak 310 spectrum 1 weight 0.11000E+01 volume 0.15005E-01 ppm1 7.528 ppm2 2.354 CV 1 OR { 310} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HG2 )) ASSI { 311} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HN )) 2.100 0.500 0.500 peak 311 spectrum 1 weight 0.11000E+01 volume 0.61445E-02 ppm1 7.526 ppm2 8.623 CV 1 ASSI { 314} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 103 and name HB2 )) 2.500 0.800 0.800 peak 314 spectrum 1 weight 0.11000E+01 volume 0.42837E-02 ppm1 8.647 ppm2 2.577 CV 1 OR { 314} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 103 and name HG2 )) ASSI { 315} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 100 and name HG2%) 3.000 1.100 1.100 peak 315 spectrum 1 weight 0.11000E+01 volume 0.18110E-02 ppm1 8.647 ppm2 1.285 CV 1 ASSI { 316} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HN )) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.11000E+01 volume 0.52148E-02 ppm1 8.400 ppm2 8.622 CV 1 ASSI { 317} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 34 and name HN )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.11000E+01 volume 0.23018E-02 ppm1 8.396 ppm2 7.853 CV 1 ASSI { 318} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HA )) 2.600 0.800 0.800 peak 318 spectrum 1 weight 0.11000E+01 volume 0.27036E-02 ppm1 8.401 ppm2 3.783 CV 1 ASSI { 319} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 48 and name HG11)) 3.900 1.900 1.900 peak 319 spectrum 1 weight 0.11000E+01 volume 0.83594E-03 ppm1 8.393 ppm2 0.775 CV 1 OR { 319} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 48 and name HG2%) OR { 319} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 48 and name HD1%) ASSI { 321} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HB1 )) 1.600 0.300 0.600 peak 321 spectrum 1 weight 0.11000E+01 volume 0.11256E-01 ppm1 8.398 ppm2 1.401 CV 1 ASSI { 323} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 75 and name HN )) 4.600 2.600 1.400 peak 323 spectrum 1 weight 0.11000E+01 volume 0.10155E-03 ppm1 7.774 ppm2 7.593 CV 1 ASSI { 326} (( segid "A " and resid 55 and name HN )) ( segid "A " and resid 55 and name HB% ) 2.200 2.200 3.800 peak 326 spectrum 1 weight 0.11000E+01 volume 0.11852E-01 ppm1 8.138 ppm2 1.352 CV 1 ASSI { 328} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HB )) 2.000 0.500 0.500 peak 328 spectrum 1 weight 0.11000E+01 volume 0.98593E-02 ppm1 7.505 ppm2 1.481 CV 1 ASSI { 333} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 53 and name HN )) 3.500 1.500 1.500 peak 333 spectrum 1 weight 0.11000E+01 volume 0.23105E-02 ppm1 8.071 ppm2 8.366 CV 1 ASSI { 334} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB1 )) 2.200 0.600 0.600 peak 334 spectrum 1 weight 0.11000E+01 volume 0.97564E-02 ppm1 8.057 ppm2 2.397 CV 1 ASSI { 335} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 55 and name HB% ) 2.300 0.700 0.700 peak 335 spectrum 1 weight 0.11000E+01 volume 0.11257E-01 ppm1 8.053 ppm2 1.352 CV 1 ASSI { 337} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB2 )) 2.000 0.500 0.500 peak 337 spectrum 1 weight 0.11000E+01 volume 0.95492E-02 ppm1 8.053 ppm2 3.022 CV 1 ASSI { 341} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 23 and name HN )) 1.700 0.400 0.500 peak 341 spectrum 1 weight 0.11000E+01 volume 0.20724E-01 ppm1 7.771 ppm2 8.149 CV 1 ASSI { 342} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 21 and name HN )) 2.100 0.600 0.600 peak 342 spectrum 1 weight 0.11000E+01 volume 0.84971E-02 ppm1 7.771 ppm2 8.075 CV 1 ASSI { 343} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HN )) 1.900 0.500 0.500 peak 343 spectrum 1 weight 0.11000E+01 volume 0.11492E-01 ppm1 7.745 ppm2 7.488 CV 1 ASSI { 347} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HG12)) 2.100 0.500 0.500 peak 347 spectrum 1 weight 0.11000E+01 volume 0.77491E-02 ppm1 7.505 ppm2 1.884 CV 1 ASSI { 348} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HG11)) 3.100 1.200 1.200 peak 348 spectrum 1 weight 0.11000E+01 volume 0.37450E-02 ppm1 7.500 ppm2 0.763 CV 1 OR { 348} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 19 and name HD1%) OR { 348} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 19 and name HG2%) ASSI { 349} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 20 and name HN )) 2.500 0.800 0.800 peak 349 spectrum 1 weight 0.11000E+01 volume 0.37770E-02 ppm1 7.446 ppm2 7.860 CV 1 ASSI { 352} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HN )) 1.500 0.300 0.700 peak 352 spectrum 1 weight 0.11000E+01 volume 0.78049E-02 ppm1 11.038 ppm2 8.626 CV 1 ASSI { 353} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 26 and name HN )) 1.800 0.400 0.400 peak 353 spectrum 1 weight 0.11000E+01 volume 0.76929E-02 ppm1 11.039 ppm2 7.746 CV 1 ASSI { 354} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HA1 )) 2.400 0.800 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.94526E-02 ppm1 11.038 ppm2 3.703 CV 1 ASSI { 363} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HA )) 2.200 0.600 0.600 peak 363 spectrum 1 weight 0.11000E+01 volume 0.10468E-01 ppm1 7.740 ppm2 3.992 CV 1 ASSI { 364} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HN )) 1.600 0.300 0.600 peak 364 spectrum 1 weight 0.11000E+01 volume 0.26972E-01 ppm1 7.728 ppm2 7.852 CV 1 ASSI { 366} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HB1 )) 2.300 0.700 0.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.14084E-01 ppm1 7.733 ppm2 2.151 CV 1 ASSI { 370} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HA1 )) 2.600 0.800 0.800 peak 370 spectrum 1 weight 0.11000E+01 volume 0.94987E-02 ppm1 10.781 ppm2 3.551 CV 1 ASSI { 373} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 95 and name HN )) 2.500 0.800 0.800 peak 373 spectrum 1 weight 0.11000E+01 volume 0.65087E-02 ppm1 8.561 ppm2 7.918 CV 1 ASSI { 375} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 96 and name HB2 )) 3.300 1.400 1.400 peak 375 spectrum 1 weight 0.11000E+01 volume 0.40607E-02 ppm1 8.559 ppm2 4.055 CV 1 ASSI { 376} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 95 and name HA1 )) 3.300 1.300 1.300 peak 376 spectrum 1 weight 0.11000E+01 volume 0.29245E-02 ppm1 8.559 ppm2 3.803 CV 1 ASSI { 378} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.11000E+01 volume 0.46858E-02 ppm1 8.393 ppm2 2.653 CV 1 ASSI { 379} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.100 0.500 0.500 peak 379 spectrum 1 weight 0.11000E+01 volume 0.79555E-02 ppm1 8.367 ppm2 2.488 CV 1 ASSI { 380} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HG12)) 4.500 2.500 1.500 peak 380 spectrum 1 weight 0.11000E+01 volume 0.99170E-03 ppm1 7.963 ppm2 1.445 CV 1 ASSI { 382} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HN )) 2.900 1.100 1.100 peak 382 spectrum 1 weight 0.11000E+01 volume 0.25111E-02 ppm1 8.381 ppm2 9.413 CV 1 ASSI { 384} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HB1 )) 2.300 0.700 0.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.52340E-02 ppm1 8.393 ppm2 3.062 CV 1 ASSI { 385} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HB1 )) 2.300 0.700 0.700 peak 385 spectrum 1 weight 0.11000E+01 volume 0.13024E-01 ppm1 8.394 ppm2 2.501 CV 1 ASSI { 389} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HB1 )) 3.200 1.300 1.300 peak 389 spectrum 1 weight 0.11000E+01 volume 0.30178E-02 ppm1 8.164 ppm2 2.084 CV 1 ASSI { 394} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 394 spectrum 1 weight 0.11000E+01 volume 0.19999E-02 ppm1 7.964 ppm2 3.117 CV 1 ASSI { 395} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB1 )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.11000E+01 volume 0.57329E-02 ppm1 7.963 ppm2 2.681 CV 1 ASSI { 396} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HB )) 2.400 0.700 0.700 peak 396 spectrum 1 weight 0.11000E+01 volume 0.74583E-02 ppm1 7.962 ppm2 2.040 CV 1 ASSI { 397} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HG11)) 4.900 3.000 1.100 peak 397 spectrum 1 weight 0.11000E+01 volume 0.10640E-02 ppm1 7.962 ppm2 1.653 CV 1 ASSI { 398} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 57 and name HG2%) 4.400 2.400 1.600 peak 398 spectrum 1 weight 0.11000E+01 volume 0.10948E-02 ppm1 7.964 ppm2 1.037 CV 1 ASSI { 400} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 66 and name HN )) 3.500 1.600 1.600 peak 400 spectrum 1 weight 0.11000E+01 volume 0.18711E-02 ppm1 8.160 ppm2 8.244 CV 1 ASSI { 403} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 56 and name HN )) 2.600 2.600 3.400 peak 403 spectrum 1 weight 0.11000E+01 volume 0.20829E-01 ppm1 8.016 ppm2 8.107 CV 1 ASSI { 406} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HG1 )) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.11000E+01 volume 0.89212E-02 ppm1 7.871 ppm2 1.746 CV 1 OR { 406} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HD2 )) ASSI { 410} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HA )) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.11000E+01 volume 0.28063E-02 ppm1 7.840 ppm2 3.966 CV 1 ASSI { 413} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HB2 )) 2.000 2.000 4.000 peak 413 spectrum 1 weight 0.11000E+01 volume 0.25992E-01 ppm1 7.507 ppm2 2.130 CV 1 ASSI { 414} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.11000E+01 volume 0.39583E-02 ppm1 7.508 ppm2 1.944 CV 1 ASSI { 415} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 103 and name HN )) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.11000E+01 volume 0.85770E-03 ppm1 8.572 ppm2 7.533 CV 1 ASSI { 416} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HB2 )) 2.700 0.900 0.900 peak 416 spectrum 1 weight 0.11000E+01 volume 0.46771E-02 ppm1 8.571 ppm2 2.633 CV 1 OR { 416} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HB1 )) ASSI { 419} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 131 and name HN )) 2.000 0.500 0.500 peak 419 spectrum 1 weight 0.11000E+01 volume 0.11860E-01 ppm1 8.013 ppm2 10.220 CV 1 ASSI { 421} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 131 and name HA2 )) 2.500 0.800 0.800 peak 421 spectrum 1 weight 0.11000E+01 volume 0.51475E-02 ppm1 8.017 ppm2 4.057 CV 1 ASSI { 423} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HG2 )) 2.400 0.700 0.700 peak 423 spectrum 1 weight 0.11000E+01 volume 0.34035E-02 ppm1 8.012 ppm2 2.034 CV 1 ASSI { 424} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HG1 )) 2.200 0.600 0.600 peak 424 spectrum 1 weight 0.11000E+01 volume 0.10439E-01 ppm1 8.013 ppm2 1.899 CV 1 OR { 424} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HB2 )) ASSI { 426} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 101 and name HB2 )) 2.700 0.900 0.900 peak 426 spectrum 1 weight 0.11000E+01 volume 0.61899E-02 ppm1 8.571 ppm2 1.762 CV 1 ASSI { 432} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HN )) 1.900 1.900 4.100 peak 432 spectrum 1 weight 0.11000E+01 volume 0.27229E-01 ppm1 7.873 ppm2 7.958 CV 1 ASSI { 434} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HG1 )) 3.800 1.800 1.800 peak 434 spectrum 1 weight 0.11000E+01 volume 0.32918E-02 ppm1 7.868 ppm2 1.448 CV 1 ASSI { 435} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HG2 )) 3.400 1.400 1.400 peak 435 spectrum 1 weight 0.11000E+01 volume 0.50301E-02 ppm1 7.868 ppm2 1.356 CV 1 ASSI { 437} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HN )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.11000E+01 volume 0.83061E-02 ppm1 8.813 ppm2 7.861 CV 1 ASSI { 439} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 439 spectrum 1 weight 0.11000E+01 volume 0.41314E-02 ppm1 8.810 ppm2 3.999 CV 1 ASSI { 440} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HA )) 1.900 0.500 0.500 peak 440 spectrum 1 weight 0.11000E+01 volume 0.96875E-02 ppm1 8.812 ppm2 3.912 CV 1 ASSI { 441} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 126 and name HN )) 2.000 0.500 0.500 peak 441 spectrum 1 weight 0.11000E+01 volume 0.61450E-02 ppm1 7.552 ppm2 8.173 CV 1 ASSI { 442} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HB )) 2.800 1.000 1.000 peak 442 spectrum 1 weight 0.11000E+01 volume 0.14351E-02 ppm1 7.546 ppm2 1.808 CV 1 ASSI { 443} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HG11)) 2.500 2.500 3.500 peak 443 spectrum 1 weight 0.11000E+01 volume 0.17913E-02 ppm1 7.546 ppm2 1.662 CV 1 ASSI { 447} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HA1 )) 2.500 0.800 0.800 peak 447 spectrum 1 weight 0.11000E+01 volume 0.10593E-01 ppm1 10.607 ppm2 3.470 CV 1 ASSI { 448} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HN )) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.11000E+01 volume 0.74330E-02 ppm1 8.628 ppm2 8.151 CV 1 ASSI { 451} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 451 spectrum 1 weight 0.11000E+01 volume 0.52040E-02 ppm1 8.630 ppm2 3.958 CV 1 ASSI { 452} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 93 and name HA )) 3.700 1.700 1.700 peak 452 spectrum 1 weight 0.11000E+01 volume 0.10806E-02 ppm1 8.001 ppm2 3.944 CV 1 ASSI { 453} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HA1 )) 3.400 1.400 1.400 peak 453 spectrum 1 weight 0.11000E+01 volume 0.11682E-02 ppm1 7.955 ppm2 3.806 CV 1 ASSI { 454} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HB1 )) 3.000 1.100 1.100 peak 454 spectrum 1 weight 0.11000E+01 volume 0.51852E-02 ppm1 7.955 ppm2 3.574 CV 1 ASSI { 456} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 456 spectrum 1 weight 0.11000E+01 volume 0.72412E-02 ppm1 8.006 ppm2 1.821 CV 1 ASSI { 458} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HB2 )) 2.600 0.800 0.800 peak 458 spectrum 1 weight 0.11000E+01 volume 0.34931E-02 ppm1 7.957 ppm2 3.747 CV 1 ASSI { 459} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 128 and name HN )) 2.100 0.500 0.500 peak 459 spectrum 1 weight 0.11000E+01 volume 0.12642E-01 ppm1 7.733 ppm2 8.160 CV 1 ASSI { 462} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HB1 )) 3.400 1.500 1.500 peak 462 spectrum 1 weight 0.11000E+01 volume 0.20396E-02 ppm1 7.732 ppm2 2.698 CV 1 ASSI { 464} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 464 spectrum 1 weight 0.11000E+01 volume 0.34543E-02 ppm1 8.023 ppm2 2.738 CV 1 ASSI { 465} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 98 and name HB2 )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.11000E+01 volume 0.34115E-02 ppm1 7.644 ppm2 2.588 CV 1 ASSI { 466} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HB2 )) 3.200 1.300 1.300 peak 466 spectrum 1 weight 0.11000E+01 volume 0.14992E-02 ppm1 8.512 ppm2 4.061 CV 1 OR { 466} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HB1 )) OR { 466} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HA )) ASSI { 469} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HB2 )) 2.400 0.700 0.700 peak 469 spectrum 1 weight 0.11000E+01 volume 0.39001E-02 ppm1 7.028 ppm2 2.605 CV 1 OR { 469} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HB1 )) ASSI { 472} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HA2 )) 2.100 0.600 0.600 peak 472 spectrum 1 weight 0.11000E+01 volume 0.56523E-02 ppm1 10.225 ppm2 4.037 CV 1 ASSI { 473} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HA1 )) 2.400 0.700 0.700 peak 473 spectrum 1 weight 0.11000E+01 volume 0.78689E-02 ppm1 10.225 ppm2 3.455 CV 1 ASSI { 476} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HB1 )) 3.400 1.500 1.500 peak 476 spectrum 1 weight 0.11000E+01 volume 0.24710E-02 ppm1 8.144 ppm2 2.878 CV 1 ASSI { 478} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HN )) 2.300 0.700 0.700 peak 478 spectrum 1 weight 0.11000E+01 volume 0.45539E-02 ppm1 7.520 ppm2 7.857 CV 1 ASSI { 479} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HN )) 2.700 0.900 0.900 peak 479 spectrum 1 weight 0.11000E+01 volume 0.25582E-02 ppm1 7.519 ppm2 7.687 CV 1 ASSI { 480} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 480 spectrum 1 weight 0.11000E+01 volume 0.78824E-02 ppm1 7.524 ppm2 1.046 CV 1 ASSI { 484} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 94 and name HN )) 2.000 0.500 0.500 peak 484 spectrum 1 weight 0.11000E+01 volume 0.14774E-01 ppm1 7.928 ppm2 7.989 CV 1 ASSI { 485} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 95 and name HA1 )) 2.400 0.700 0.700 peak 485 spectrum 1 weight 0.11000E+01 volume 0.16713E-01 ppm1 7.929 ppm2 3.852 CV 1 ASSI { 486} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 95 and name HA2 )) 2.000 0.500 0.500 peak 486 spectrum 1 weight 0.11000E+01 volume 0.17428E-01 ppm1 7.927 ppm2 3.794 CV 1 ASSI { 490} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HA1 )) 2.600 0.800 0.800 peak 490 spectrum 1 weight 0.11000E+01 volume 0.11306E-01 ppm1 7.700 ppm2 3.818 CV 1 ASSI { 491} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HA2 )) 2.400 0.700 0.700 peak 491 spectrum 1 weight 0.11000E+01 volume 0.84257E-02 ppm1 8.700 ppm2 3.883 CV 1 ASSI { 492} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HN )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.11000E+01 volume 0.53737E-02 ppm1 8.702 ppm2 8.404 CV 1 ASSI { 493} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HN )) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.48387E-02 ppm1 8.697 ppm2 7.850 CV 1 ASSI { 494} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HA1 )) 1.900 0.400 0.400 peak 494 spectrum 1 weight 0.11000E+01 volume 0.11882E-01 ppm1 8.696 ppm2 3.648 CV 1 ASSI { 495} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HB2 )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.11000E+01 volume 0.21832E-02 ppm1 8.698 ppm2 2.677 CV 1 ASSI { 497} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HN )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.34896E-02 ppm1 7.700 ppm2 7.945 CV 1 ASSI { 500} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 25 and name HA1 )) 3.700 1.700 1.700 peak 500 spectrum 1 weight 0.11000E+01 volume 0.15391E-02 ppm1 7.750 ppm2 3.703 CV 1 ASSI { 501} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 26 and name HG2%) 3.200 1.300 1.300 peak 501 spectrum 1 weight 0.11000E+01 volume 0.20005E-02 ppm1 7.752 ppm2 1.182 CV 1 ASSI { 502} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 62 and name HG2%) 3.500 1.500 1.500 peak 502 spectrum 1 weight 0.11000E+01 volume 0.22867E-02 ppm1 7.600 ppm2 1.094 CV 1 ASSI { 504} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 137 and name HN )) 2.200 0.600 0.600 peak 504 spectrum 1 weight 0.11000E+01 volume 0.50652E-02 ppm1 8.233 ppm2 8.629 CV 1 ASSI { 505} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HN )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.11000E+01 volume 0.29714E-03 ppm1 8.234 ppm2 8.527 CV 1 ASSI { 506} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HA1 )) 2.000 0.500 0.500 peak 506 spectrum 1 weight 0.11000E+01 volume 0.14165E-01 ppm1 8.234 ppm2 3.942 CV 1 ASSI { 509} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HA1 )) 3.500 1.600 1.600 peak 509 spectrum 1 weight 0.11000E+01 volume 0.19061E-02 ppm1 7.602 ppm2 3.548 CV 1 ASSI { 510} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HA2 )) 2.400 0.700 0.700 peak 510 spectrum 1 weight 0.11000E+01 volume 0.17322E-01 ppm1 8.275 ppm2 3.908 CV 1 ASSI { 512} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HB2 )) 3.600 1.600 1.600 peak 512 spectrum 1 weight 0.11000E+01 volume 0.35035E-02 ppm1 8.275 ppm2 2.562 CV 1 ASSI { 513} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 67 and name HN )) 2.500 0.800 0.800 peak 513 spectrum 1 weight 0.11000E+01 volume 0.43540E-02 ppm1 8.273 ppm2 8.415 CV 1 ASSI { 514} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HN )) 2.900 1.000 1.000 peak 514 spectrum 1 weight 0.11000E+01 volume 0.25793E-02 ppm1 8.276 ppm2 8.730 CV 1 ASSI { 515} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HB1 )) 3.000 1.100 1.100 peak 515 spectrum 1 weight 0.11000E+01 volume 0.11369E-02 ppm1 8.277 ppm2 2.287 CV 1 ASSI { 516} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 133 and name HN )) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.11000E+01 volume 0.98770E-03 ppm1 10.162 ppm2 9.175 CV 1 ASSI { 517} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 138 and name HN )) 4.100 2.100 1.900 peak 517 spectrum 1 weight 0.11000E+01 volume 0.24559E-03 ppm1 9.450 ppm2 8.785 CV 1 ASSI { 518} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 139 and name HN )) 6.000 6.000 0.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.39828E-04 ppm1 9.452 ppm2 8.987 CV 1 ASSI { 522} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 67 and name HG1 )) 3.400 1.500 1.500 peak 522 spectrum 1 weight 0.11000E+01 volume 0.91458E-03 ppm1 9.105 ppm2 2.964 CV 1 ASSI { 523} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB1 )) 3.000 1.100 1.100 peak 523 spectrum 1 weight 0.11000E+01 volume 0.20491E-02 ppm1 9.106 ppm2 2.637 CV 1 ASSI { 524} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 67 and name HG2 )) 4.300 2.300 1.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.13449E-02 ppm1 9.104 ppm2 2.410 CV 1 ASSI { 525} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 67 and name HB1 )) 3.600 1.700 1.700 peak 525 spectrum 1 weight 0.11000E+01 volume 0.25307E-02 ppm1 9.108 ppm2 2.271 CV 1 ASSI { 526} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HB )) 4.500 2.500 1.500 peak 526 spectrum 1 weight 0.11000E+01 volume 0.47540E-03 ppm1 9.105 ppm2 2.032 CV 1 ASSI { 532} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 133 and name HB )) 3.600 1.600 1.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.98676E-03 ppm1 10.161 ppm2 2.110 CV 1 ASSI { 533} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 98 and name HB2 )) 3.300 1.300 1.300 peak 533 spectrum 1 weight 0.11000E+01 volume 0.13244E-02 ppm1 10.164 ppm2 2.588 CV 1 ASSI { 534} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 98 and name HD% ) 4.900 3.000 1.100 peak 534 spectrum 1 weight 0.11000E+01 volume 0.64193E-03 ppm1 10.150 ppm2 6.990 CV 1 ASSI { 535} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 134 and name HN )) 4.900 4.900 1.100 peak 535 spectrum 1 weight 0.11000E+01 volume 0.15110E-03 ppm1 10.171 ppm2 9.502 CV 1 ASSI { 536} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HG11)) 3.000 1.200 1.200 peak 536 spectrum 1 weight 0.11000E+01 volume 0.12677E-02 ppm1 10.164 ppm2 0.169 CV 1 OR { 536} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 99 and name HD1%) ASSI { 537} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 64 and name HA )) 4.000 2.000 2.000 peak 537 spectrum 1 weight 0.11000E+01 volume 0.46931E-03 ppm1 9.743 ppm2 5.300 CV 1 ASSI { 538} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HB )) 2.600 0.800 0.800 peak 538 spectrum 1 weight 0.11000E+01 volume 0.26290E-02 ppm1 9.744 ppm2 3.837 CV 1 ASSI { 541} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 64 and name HN )) 4.200 2.300 1.800 peak 541 spectrum 1 weight 0.11000E+01 volume 0.56208E-03 ppm1 8.273 ppm2 9.112 CV 1 ASSI { 542} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 68 and name HN )) 3.600 1.600 1.600 peak 542 spectrum 1 weight 0.11000E+01 volume 0.91106E-03 ppm1 8.274 ppm2 8.895 CV 1 ASSI { 546} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 139 and name HN )) 4.300 4.300 1.700 peak 546 spectrum 1 weight 0.11000E+01 volume 0.61286E-03 ppm1 8.231 ppm2 9.032 CV 1 ASSI { 547} (( segid "A " and resid 136 and name HN )) ( segid "A " and resid 135 and name HD% ) 5.500 3.800 0.500 peak 547 spectrum 1 weight 0.11000E+01 volume 0.15687E-03 ppm1 8.229 ppm2 6.422 CV 1 ASSI { 548} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HB1 )) 3.400 1.500 1.500 peak 548 spectrum 1 weight 0.11000E+01 volume 0.52565E-03 ppm1 8.232 ppm2 2.087 CV 1 ASSI { 549} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 60 and name HN )) 3.200 1.300 1.300 peak 549 spectrum 1 weight 0.11000E+01 volume 0.12208E-02 ppm1 7.602 ppm2 8.800 CV 1 ASSI { 551} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HB )) 3.700 1.700 1.700 peak 551 spectrum 1 weight 0.11000E+01 volume 0.45475E-03 ppm1 7.597 ppm2 3.804 CV 1 ASSI { 553} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 56 and name HB1 )) 6.000 5.200 0.000 peak 553 spectrum 1 weight 0.11000E+01 volume 0.11560E-03 ppm1 7.606 ppm2 2.417 CV 1 ASSI { 554} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 27 and name HB )) 6.000 6.000 0.000 peak 554 spectrum 1 weight 0.11000E+01 volume 0.78760E-04 ppm1 7.601 ppm2 1.749 CV 1 ASSI { 555} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 128 and name HA )) 2.800 2.800 3.200 peak 555 spectrum 1 weight 0.11000E+01 volume 0.31035E-03 ppm1 7.963 ppm2 4.660 CV 1 ASSI { 558} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 153 and name HG2 )) 5.500 3.800 0.500 peak 558 spectrum 1 weight 0.11000E+01 volume 0.22458E-03 ppm1 7.958 ppm2 1.611 CV 1 ASSI { 561} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 127 and name HE21)) 2.000 2.000 4.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.23103E-02 ppm1 7.961 ppm2 7.487 CV 1 ASSI { 562} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 152 and name HN )) 2.600 2.600 3.400 peak 562 spectrum 1 weight 0.11000E+01 volume 0.49477E-03 ppm1 7.963 ppm2 8.421 CV 1 ASSI { 564} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 153 and name HN )) 4.900 4.900 1.100 peak 564 spectrum 1 weight 0.11000E+01 volume 0.45439E-03 ppm1 7.976 ppm2 8.128 CV 1 ASSI { 565} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HA )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.11000E+01 volume 0.17009E-02 ppm1 9.670 ppm2 5.211 CV 1 ASSI { 567} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 16 and name HZ )) 6.000 6.000 0.000 peak 567 spectrum 1 weight 0.11000E+01 volume 0.28394E-04 ppm1 9.665 ppm2 6.790 CV 1 ASSI { 568} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HG12)) 3.600 1.600 1.600 peak 568 spectrum 1 weight 0.11000E+01 volume 0.20166E-02 ppm1 9.666 ppm2 1.605 CV 1 ASSI { 569} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 63 and name HG2%) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.11000E+01 volume 0.16256E-02 ppm1 9.670 ppm2 1.262 CV 1 ASSI { 575} (( segid "A " and resid 127 and name HN )) ( segid "A " and resid 125 and name HG2%) 5.600 3.900 0.400 peak 575 spectrum 1 weight 0.11000E+01 volume 0.75408E-04 ppm1 8.632 ppm2 0.934 CV 1 ASSI { 577} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HA )) 3.900 3.900 2.100 peak 577 spectrum 1 weight 0.11000E+01 volume 0.54043E-03 ppm1 7.665 ppm2 4.153 CV 1 ASSI { 583} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HN )) 4.900 3.000 1.100 peak 583 spectrum 1 weight 0.11000E+01 volume 0.19355E-03 ppm1 9.187 ppm2 8.009 CV 1 ASSI { 585} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 134 and name HN )) 4.400 2.400 1.600 peak 585 spectrum 1 weight 0.11000E+01 volume 0.25664E-03 ppm1 9.194 ppm2 9.471 CV 1 ASSI { 586} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 98 and name HB2 )) 4.400 2.400 1.600 peak 586 spectrum 1 weight 0.11000E+01 volume 0.66591E-03 ppm1 9.177 ppm2 2.578 CV 1 ASSI { 587} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 139 and name HN )) 4.300 4.300 1.700 peak 587 spectrum 1 weight 0.11000E+01 volume 0.26356E-03 ppm1 8.637 ppm2 9.072 CV 1 ASSI { 588} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HA1 )) 2.800 1.000 1.000 peak 588 spectrum 1 weight 0.11000E+01 volume 0.23067E-02 ppm1 8.633 ppm2 3.957 CV 1 ASSI { 589} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 135 and name HA )) 3.400 1.500 1.500 peak 589 spectrum 1 weight 0.11000E+01 volume 0.61087E-03 ppm1 8.786 ppm2 3.458 CV 1 ASSI { 590} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 136 and name HA1 )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.11000E+01 volume 0.25245E-02 ppm1 8.780 ppm2 3.931 CV 1 ASSI { 591} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HA )) 4.200 2.200 1.800 peak 591 spectrum 1 weight 0.11000E+01 volume 0.33747E-03 ppm1 8.772 ppm2 4.102 CV 1 ASSI { 592} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HB2 )) 2.300 0.700 0.700 peak 592 spectrum 1 weight 0.11000E+01 volume 0.20642E-02 ppm1 8.779 ppm2 2.611 CV 1 ASSI { 595} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 139 and name HN )) 3.000 1.100 1.100 peak 595 spectrum 1 weight 0.11000E+01 volume 0.10305E-02 ppm1 8.785 ppm2 8.958 CV 1 ASSI { 598} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 133 and name HN )) 4.900 3.000 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.67602E-03 ppm1 9.076 ppm2 9.188 CV 1 ASSI { 600} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HG )) 2.900 1.000 1.000 peak 600 spectrum 1 weight 0.11000E+01 volume 0.13403E-02 ppm1 9.071 ppm2 1.627 CV 1 ASSI { 601} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 64 and name HN )) 3.400 1.500 1.500 peak 601 spectrum 1 weight 0.11000E+01 volume 0.12085E-02 ppm1 8.440 ppm2 9.104 CV 1 ASSI { 602} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 65 and name HN )) 4.800 2.900 1.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.27165E-03 ppm1 8.439 ppm2 8.712 CV 1 ASSI { 604} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HA2 )) 3.800 1.800 1.800 peak 604 spectrum 1 weight 0.11000E+01 volume 0.16025E-02 ppm1 8.425 ppm2 3.913 CV 1 ASSI { 605} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HA1 )) 3.000 1.100 1.100 peak 605 spectrum 1 weight 0.11000E+01 volume 0.92751E-03 ppm1 8.434 ppm2 3.599 CV 1 ASSI { 606} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HA )) 3.900 1.900 1.900 peak 606 spectrum 1 weight 0.11000E+01 volume 0.41795E-03 ppm1 8.853 ppm2 4.192 CV 1 ASSI { 607} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 66 and name HA2 )) 5.900 4.400 0.100 peak 607 spectrum 1 weight 0.11000E+01 volume 0.61368E-04 ppm1 8.850 ppm2 3.863 CV 1 ASSI { 609} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HG1 )) 5.200 3.400 0.800 peak 609 spectrum 1 weight 0.11000E+01 volume 0.25495E-03 ppm1 8.857 ppm2 2.958 CV 1 ASSI { 610} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 68 and name HD% ) 5.200 3.300 0.800 peak 610 spectrum 1 weight 0.11000E+01 volume 0.49873E-03 ppm1 8.856 ppm2 7.047 CV 1 ASSI { 612} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 64 and name HN )) 3.500 1.600 1.600 peak 612 spectrum 1 weight 0.11000E+01 volume 0.13056E-02 ppm1 8.850 ppm2 9.093 CV 1 ASSI { 613} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 65 and name HN )) 4.900 3.000 1.100 peak 613 spectrum 1 weight 0.11000E+01 volume 0.19894E-03 ppm1 8.857 ppm2 8.677 CV 1 ASSI { 614} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 44 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.11000E+01 volume 0.88098E-03 ppm1 7.074 ppm2 9.270 CV 1 ASSI { 615} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 49 and name HN )) 3.900 1.900 1.900 peak 615 spectrum 1 weight 0.11000E+01 volume 0.88507E-03 ppm1 7.071 ppm2 8.356 CV 1 ASSI { 616} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HA )) 3.900 1.900 1.900 peak 616 spectrum 1 weight 0.11000E+01 volume 0.50467E-03 ppm1 7.071 ppm2 4.144 CV 1 ASSI { 617} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HB2 )) 4.000 4.000 2.000 peak 617 spectrum 1 weight 0.11000E+01 volume 0.59050E-03 ppm1 7.072 ppm2 3.988 CV 1 ASSI { 619} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 50 and name HB2 )) 5.300 3.500 0.700 peak 619 spectrum 1 weight 0.11000E+01 volume 0.34389E-03 ppm1 7.067 ppm2 2.830 CV 1 ASSI { 621} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 50 and name HB1 )) 5.400 3.700 0.600 peak 621 spectrum 1 weight 0.11000E+01 volume 0.36760E-03 ppm1 7.078 ppm2 2.626 CV 1 ASSI { 625} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 29 and name HD% ) 5.100 3.200 0.900 peak 625 spectrum 1 weight 0.11000E+01 volume 0.62156E-03 ppm1 9.413 ppm2 7.301 CV 1 ASSI { 626} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 63 and name HN )) 6.000 5.400 0.000 peak 626 spectrum 1 weight 0.11000E+01 volume 0.22253E-03 ppm1 9.425 ppm2 9.674 CV 1 ASSI { 627} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HG2 )) 2.800 2.800 3.200 peak 627 spectrum 1 weight 0.11000E+01 volume 0.32784E-03 ppm1 8.850 ppm2 2.420 CV 1 ASSI { 628} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HB1 )) 3.600 1.600 1.600 peak 628 spectrum 1 weight 0.11000E+01 volume 0.17742E-02 ppm1 8.855 ppm2 2.272 CV 1 ASSI { 629} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 46 and name HA )) 3.500 1.500 1.500 peak 629 spectrum 1 weight 0.11000E+01 volume 0.11027E-02 ppm1 8.348 ppm2 4.137 CV 1 ASSI { 630} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 45 and name HA )) 3.800 1.800 1.800 peak 630 spectrum 1 weight 0.11000E+01 volume 0.91470E-03 ppm1 8.348 ppm2 3.877 CV 1 ASSI { 631} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HA )) 3.900 1.900 1.900 peak 631 spectrum 1 weight 0.11000E+01 volume 0.45372E-03 ppm1 8.349 ppm2 3.606 CV 1 ASSI { 632} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HB1 )) 5.700 4.000 0.300 peak 632 spectrum 1 weight 0.11000E+01 volume 0.29129E-03 ppm1 8.347 ppm2 2.689 CV 1 ASSI { 633} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HA )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.11000E+01 volume 0.15594E-02 ppm1 7.950 ppm2 4.217 CV 1 ASSI { 634} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HA )) 3.400 1.500 1.500 peak 634 spectrum 1 weight 0.11000E+01 volume 0.99301E-03 ppm1 7.953 ppm2 4.046 CV 1 ASSI { 636} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 16 and name HE% ) 6.000 6.000 0.000 peak 636 spectrum 1 weight 0.11000E+01 volume 0.11029E-03 ppm1 11.044 ppm2 6.977 CV 1 ASSI { 639} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HB2 )) 5.600 4.000 0.400 peak 639 spectrum 1 weight 0.11000E+01 volume 0.15577E-03 ppm1 11.034 ppm2 3.924 CV 1 ASSI { 641} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 23 and name HB2 )) 5.900 4.400 0.100 peak 641 spectrum 1 weight 0.11000E+01 volume 0.31454E-03 ppm1 11.037 ppm2 3.077 CV 1 ASSI { 643} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 95 and name HA2 )) 3.800 1.800 1.800 peak 643 spectrum 1 weight 0.11000E+01 volume 0.79317E-03 ppm1 10.606 ppm2 3.818 CV 1 OR { 643} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 95 and name HA1 )) ASSI { 644} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 98 and name HB2 )) 5.800 4.200 0.200 peak 644 spectrum 1 weight 0.11000E+01 volume 0.29659E-03 ppm1 10.601 ppm2 2.583 CV 1 ASSI { 646} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 129 and name HN )) 3.700 1.800 1.800 peak 646 spectrum 1 weight 0.11000E+01 volume 0.57474E-03 ppm1 10.224 ppm2 7.727 CV 1 ASSI { 647} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 126 and name HA )) 6.000 5.900 0.000 peak 647 spectrum 1 weight 0.11000E+01 volume 0.49869E-04 ppm1 10.220 ppm2 4.412 CV 1 ASSI { 648} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 126 and name HB1 )) 4.800 2.900 1.200 peak 648 spectrum 1 weight 0.11000E+01 volume 0.24058E-03 ppm1 10.234 ppm2 2.466 CV 1 ASSI { 650} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 137 and name HB1 )) 3.000 1.100 1.100 peak 650 spectrum 1 weight 0.11000E+01 volume 0.18554E-02 ppm1 9.424 ppm2 2.102 CV 1 ASSI { 652} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HA )) 3.400 1.400 1.400 peak 652 spectrum 1 weight 0.11000E+01 volume 0.36466E-03 ppm1 9.416 ppm2 4.854 CV 1 ASSI { 654} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HG )) 5.100 3.300 0.900 peak 654 spectrum 1 weight 0.11000E+01 volume 0.68844E-03 ppm1 9.274 ppm2 1.649 CV 1 ASSI { 655} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 9.277 ppm2 1.526 CV 1 ASSI { 658} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 133 and name HG12)) 3.000 1.100 1.100 peak 658 spectrum 1 weight 0.11000E+01 volume 0.18682E-02 ppm1 9.192 ppm2 1.382 CV 1 ASSI { 659} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 99 and name HB )) 2.600 0.900 0.900 peak 659 spectrum 1 weight 0.11000E+01 volume 0.87334E-03 ppm1 9.192 ppm2 1.706 CV 1 ASSI { 660} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HB1 )) 3.500 1.500 1.500 peak 660 spectrum 1 weight 0.11000E+01 volume 0.20570E-02 ppm1 9.182 ppm2 1.805 CV 1 ASSI { 661} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HA1 )) 5.900 4.400 0.100 peak 661 spectrum 1 weight 0.11000E+01 volume 0.48337E-03 ppm1 8.815 ppm2 3.551 CV 1 ASSI { 662} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 58 and name HB2 )) 6.000 4.400 0.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.11210E-03 ppm1 8.814 ppm2 3.133 CV 1 ASSI { 665} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HB2 )) 4.200 2.200 1.800 peak 665 spectrum 1 weight 0.11000E+01 volume 0.15540E-02 ppm1 8.819 ppm2 1.964 CV 1 ASSI { 666} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HD1 )) 5.100 3.200 0.900 peak 666 spectrum 1 weight 0.11000E+01 volume 0.25882E-03 ppm1 8.821 ppm2 1.764 CV 1 ASSI { 667} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HG2 )) 4.500 2.500 1.500 peak 667 spectrum 1 weight 0.11000E+01 volume 0.48252E-03 ppm1 8.811 ppm2 1.352 CV 1 ASSI { 669} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 94 and name HN )) 4.500 2.500 1.500 peak 669 spectrum 1 weight 0.11000E+01 volume 0.80441E-03 ppm1 8.557 ppm2 8.020 CV 1 ASSI { 670} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 101 and name HN )) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.11000E+01 volume 0.15877E-02 ppm1 8.569 ppm2 9.071 CV 1 ASSI { 673} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 25 and name HA1 )) 6.000 6.000 0.000 peak 673 spectrum 1 weight 0.11000E+01 volume 0.12929E-03 ppm1 8.628 ppm2 3.708 CV 1 ASSI { 674} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HB2 )) 3.700 1.700 1.700 peak 674 spectrum 1 weight 0.11000E+01 volume 0.95020E-03 ppm1 8.628 ppm2 3.084 CV 1 ASSI { 675} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HB1 )) 2.800 1.000 1.000 peak 675 spectrum 1 weight 0.11000E+01 volume 0.56387E-03 ppm1 8.625 ppm2 2.716 CV 1 ASSI { 680} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 131 and name HA1 )) 4.100 2.100 1.900 peak 680 spectrum 1 weight 0.11000E+01 volume 0.11553E-02 ppm1 8.454 ppm2 3.453 CV 1 ASSI { 681} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HB2 )) 3.500 1.600 1.600 peak 681 spectrum 1 weight 0.11000E+01 volume 0.59202E-03 ppm1 8.453 ppm2 3.082 CV 1 ASSI { 682} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HB1 )) 4.000 2.000 2.000 peak 682 spectrum 1 weight 0.11000E+01 volume 0.71656E-03 ppm1 8.454 ppm2 2.697 CV 1 ASSI { 684} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 27 and name HA )) 6.000 6.000 0.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.71060E-04 ppm1 7.479 ppm2 4.945 CV 1 ASSI { 686} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 68 and name HZ )) 5.100 5.100 0.900 peak 686 spectrum 1 weight 0.11000E+01 volume 0.32812E-03 ppm1 7.440 ppm2 7.266 CV 1 ASSI { 690} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 90 and name HB1 )) 2.600 0.800 0.800 peak 690 spectrum 1 weight 0.11000E+01 volume 0.12608E-02 ppm1 7.038 ppm2 2.979 CV 1 ASSI { 694} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HA )) 2.900 1.100 1.100 peak 694 spectrum 1 weight 0.11000E+01 volume 0.15317E-02 ppm1 7.024 ppm2 3.932 CV 1 ASSI { 695} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 92 and name HN )) 2.500 0.800 0.800 peak 695 spectrum 1 weight 0.11000E+01 volume 0.30649E-02 ppm1 7.088 ppm2 7.908 CV 1 ASSI { 696} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 90 and name HN )) 2.600 0.800 0.800 peak 696 spectrum 1 weight 0.11000E+01 volume 0.20142E-02 ppm1 7.082 ppm2 7.510 CV 1 ASSI { 698} (( segid "A " and resid 91 and name HN )) ( segid "A " and resid 91 and name HD% ) 2.700 2.700 3.300 peak 698 spectrum 1 weight 0.11000E+01 volume 0.60036E-03 ppm1 7.088 ppm2 7.254 CV 1 ASSI { 700} (( segid "A " and resid 129 and name HD22)) (( segid "A " and resid 130 and name HA )) 4.500 2.500 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.17932E-02 ppm1 7.474 ppm2 4.664 CV 1 ASSI { 701} (( segid "A " and resid 23 and name HD22)) (( segid "A " and resid 26 and name HB )) 6.000 6.000 0.000 peak 701 spectrum 1 weight 0.11000E+01 volume 0.34883E-04 ppm1 7.477 ppm2 3.823 CV 1 ASSI { 702} (( segid "A " and resid 129 and name HD22)) (( segid "A " and resid 129 and name HB2 )) 4.300 2.400 1.700 peak 702 spectrum 1 weight 0.11000E+01 volume 0.11000E-02 ppm1 7.451 ppm2 3.079 CV 1 ASSI { 709} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 41 and name HN )) 4.900 3.000 1.100 peak 709 spectrum 1 weight 0.11000E+01 volume 0.43518E-03 ppm1 7.525 ppm2 7.969 CV 1 ASSI { 710} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 24 and name HN )) 3.300 1.400 1.400 peak 710 spectrum 1 weight 0.11000E+01 volume 0.12245E-02 ppm1 7.752 ppm2 8.615 CV 1 ASSI { 712} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 23 and name HD22)) 5.100 3.300 0.900 peak 712 spectrum 1 weight 0.11000E+01 volume 0.57702E-03 ppm1 7.751 ppm2 7.482 CV 1 ASSI { 715} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 16 and name HE% ) 6.000 5.100 0.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.74230E-04 ppm1 7.748 ppm2 6.967 CV 1 ASSI { 717} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 26 and name HB )) 3.800 1.800 1.800 peak 717 spectrum 1 weight 0.11000E+01 volume 0.63085E-03 ppm1 7.751 ppm2 3.845 CV 1 ASSI { 718} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 24 and name HB2 )) 5.700 4.100 0.300 peak 718 spectrum 1 weight 0.11000E+01 volume 0.19521E-03 ppm1 7.751 ppm2 3.960 CV 1 ASSI { 719} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 28 and name HG2%) 5.100 3.300 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.27446E-03 ppm1 7.749 ppm2 1.263 CV 1 ASSI { 720} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 20 and name HB1 )) 6.000 6.000 0.000 peak 720 spectrum 1 weight 0.11000E+01 volume 0.11932E-04 ppm1 7.748 ppm2 1.471 CV 1 ASSI { 722} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 98 and name HN )) 6.000 5.300 0.000 peak 722 spectrum 1 weight 0.11000E+01 volume 0.11633E-03 ppm1 7.925 ppm2 7.641 CV 1 ASSI { 726} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 93 and name HA )) 3.900 1.900 1.900 peak 726 spectrum 1 weight 0.11000E+01 volume 0.57667E-03 ppm1 7.929 ppm2 3.946 CV 1 ASSI { 727} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 94 and name HB2 )) 4.600 2.700 1.400 peak 727 spectrum 1 weight 0.11000E+01 volume 0.41581E-03 ppm1 7.929 ppm2 2.743 CV 1 ASSI { 728} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 93 and name HB2 )) 2.400 2.400 3.600 peak 728 spectrum 1 weight 0.11000E+01 volume 0.68185E-03 ppm1 7.925 ppm2 1.830 CV 1 ASSI { 731} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 106 and name HN )) 4.500 2.500 1.500 peak 731 spectrum 1 weight 0.11000E+01 volume 0.55611E-03 ppm1 8.152 ppm2 8.033 CV 1 ASSI { 732} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HA )) 3.500 1.600 1.600 peak 732 spectrum 1 weight 0.11000E+01 volume 0.94370E-03 ppm1 8.144 ppm2 5.309 CV 1 ASSI { 733} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 109 and name HA )) 5.100 3.300 0.900 peak 733 spectrum 1 weight 0.11000E+01 volume 0.19338E-03 ppm1 8.141 ppm2 4.245 CV 1 ASSI { 734} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 105 and name HA )) 4.100 2.100 1.900 peak 734 spectrum 1 weight 0.11000E+01 volume 0.36209E-03 ppm1 8.140 ppm2 3.918 CV 1 ASSI { 735} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HB2 )) 3.100 1.200 1.200 peak 735 spectrum 1 weight 0.11000E+01 volume 0.15198E-02 ppm1 8.142 ppm2 3.402 CV 1 ASSI { 736} (( segid "A " and resid 108 and name HN )) ( segid "A " and resid 107 and name HB% ) 3.300 1.300 1.300 peak 736 spectrum 1 weight 0.11000E+01 volume 0.31039E-02 ppm1 8.141 ppm2 1.416 CV 1 ASSI { 737} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 20 and name HN )) 4.600 2.600 1.400 peak 737 spectrum 1 weight 0.11000E+01 volume 0.83209E-03 ppm1 8.159 ppm2 7.864 CV 1 ASSI { 740} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HB2 )) 3.600 1.600 1.600 peak 740 spectrum 1 weight 0.11000E+01 volume 0.10632E-02 ppm1 8.164 ppm2 2.300 CV 1 ASSI { 742} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 20 and name HB1 )) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.11000E+01 volume 0.10055E-03 ppm1 8.163 ppm2 1.497 CV 1 ASSI { 743} (( segid "A " and resid 23 and name HN )) ( segid "A " and resid 21 and name HG2%) 2.700 2.700 3.300 peak 743 spectrum 1 weight 0.11000E+01 volume 0.39918E-03 ppm1 8.163 ppm2 1.308 CV 1 ASSI { 744} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 70 and name HN )) 3.200 1.300 1.300 peak 744 spectrum 1 weight 0.11000E+01 volume 0.72931E-03 ppm1 8.141 ppm2 7.387 CV 1 ASSI { 745} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HN )) 2.800 1.000 1.000 peak 745 spectrum 1 weight 0.11000E+01 volume 0.19181E-02 ppm1 8.142 ppm2 8.851 CV 1 ASSI { 746} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 51 and name HA )) 4.000 2.000 2.000 peak 746 spectrum 1 weight 0.11000E+01 volume 0.69744E-03 ppm1 8.070 ppm2 4.069 CV 1 ASSI { 750} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 24 and name HN )) 6.000 6.000 0.000 peak 750 spectrum 1 weight 0.11000E+01 volume 0.25984E-03 ppm1 8.060 ppm2 8.577 CV 1 ASSI { 751} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HN )) 5.100 3.300 0.900 peak 751 spectrum 1 weight 0.11000E+01 volume 0.15625E-03 ppm1 8.073 ppm2 7.537 CV 1 ASSI { 752} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 127 and name HN )) 6.000 6.000 0.000 peak 752 spectrum 1 weight 0.11000E+01 volume 0.57784E-04 ppm1 8.010 ppm2 8.639 CV 1 ASSI { 753} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 102 and name HN )) 2.500 2.500 3.500 peak 753 spectrum 1 weight 0.11000E+01 volume 0.60640E-03 ppm1 8.015 ppm2 8.532 CV 1 ASSI { 757} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 21 and name HN )) 2.700 2.700 3.300 peak 757 spectrum 1 weight 0.11000E+01 volume 0.39533E-02 ppm1 7.875 ppm2 8.042 CV 1 ASSI { 759} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 32 and name HN )) 4.300 4.300 1.700 peak 759 spectrum 1 weight 0.11000E+01 volume 0.37091E-03 ppm1 8.394 ppm2 8.559 CV 1 ASSI { 764} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 132 and name HN )) 4.400 4.400 1.600 peak 764 spectrum 1 weight 0.11000E+01 volume 0.25338E-03 ppm1 8.374 ppm2 7.971 CV 1 ASSI { 769} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 19 and name HA )) 5.500 3.700 0.500 peak 769 spectrum 1 weight 0.11000E+01 volume 0.14186E-03 ppm1 8.698 ppm2 3.787 CV 1 ASSI { 771} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 59 and name HN )) 4.600 2.600 1.400 peak 771 spectrum 1 weight 0.11000E+01 volume 0.49238E-03 ppm1 8.024 ppm2 7.857 CV 1 ASSI { 773} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HA )) 5.800 4.100 0.200 peak 773 spectrum 1 weight 0.11000E+01 volume 0.94642E-04 ppm1 8.059 ppm2 4.385 CV 1 ASSI { 777} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HB2 )) 4.800 2.800 1.200 peak 777 spectrum 1 weight 0.11000E+01 volume 0.35660E-03 ppm1 8.137 ppm2 3.392 CV 1 ASSI { 785} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 71 and name HN )) 3.900 3.900 2.100 peak 785 spectrum 1 weight 0.11000E+01 volume 0.28723E-03 ppm1 7.438 ppm2 7.725 CV 1 ASSI { 789} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 6.000 0.000 peak 789 spectrum 1 weight 0.11000E+01 volume 0.12878E-03 ppm1 7.488 ppm2 7.311 CV 1 ASSI { 791} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HN )) 3.400 3.400 2.600 peak 791 spectrum 1 weight 0.11000E+01 volume 0.54588E-03 ppm1 7.492 ppm2 7.751 CV 1 ASSI { 792} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 74 and name HN )) 4.000 2.000 2.000 peak 792 spectrum 1 weight 0.11000E+01 volume 0.87654E-03 ppm1 7.638 ppm2 7.699 CV 1 ASSI { 793} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 72 and name HG2%) 3.300 1.400 1.400 peak 793 spectrum 1 weight 0.11000E+01 volume 0.15358E-02 ppm1 7.632 ppm2 0.835 CV 1 ASSI { 804} (( segid "A " and resid 90 and name HN )) ( segid "A " and resid 91 and name HD% ) 5.300 5.300 0.700 peak 804 spectrum 1 weight 0.11000E+01 volume 0.32017E-03 ppm1 7.520 ppm2 7.211 CV 1 ASSI { 806} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 90 and name HN )) 3.400 1.500 1.500 peak 806 spectrum 1 weight 0.11000E+01 volume 0.55994E-03 ppm1 8.460 ppm2 7.504 CV 1 ASSI { 808} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 86 and name HN )) 5.100 5.100 0.900 peak 808 spectrum 1 weight 0.11000E+01 volume 0.18564E-03 ppm1 8.551 ppm2 8.234 CV 1 ASSI { 809} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 87 and name HN )) 4.600 2.600 1.400 peak 809 spectrum 1 weight 0.11000E+01 volume 0.11245E-03 ppm1 8.636 ppm2 8.064 CV 1 ASSI { 813} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HA )) 3.000 1.100 1.100 peak 813 spectrum 1 weight 0.11000E+01 volume 0.15083E-02 ppm1 7.959 ppm2 3.796 CV 1 ASSI { 817} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HB2 )) 3.300 1.300 1.300 peak 817 spectrum 1 weight 0.11000E+01 volume 0.26993E-02 ppm1 7.977 ppm2 1.552 CV 1 ASSI { 818} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HG2 )) 5.000 5.000 1.000 peak 818 spectrum 1 weight 0.11000E+01 volume 0.10913E-03 ppm1 7.996 ppm2 1.394 CV 1 ASSI { 827} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 103 and name HG1 )) 4.500 2.500 1.500 peak 827 spectrum 1 weight 0.11000E+01 volume 0.18820E-03 ppm1 8.638 ppm2 2.327 CV 1 ASSI { 828} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HB2 )) 3.500 3.500 2.500 peak 828 spectrum 1 weight 0.11000E+01 volume 0.35134E-03 ppm1 8.639 ppm2 2.892 CV 1 ASSI { 829} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 137 and name HN )) 5.400 3.700 0.600 peak 829 spectrum 1 weight 0.11000E+01 volume 0.14915E-03 ppm1 8.484 ppm2 8.645 CV 1 ASSI { 831} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 105 and name HN )) 3.800 1.800 1.800 peak 831 spectrum 1 weight 0.11000E+01 volume 0.22476E-03 ppm1 8.004 ppm2 8.426 CV 1 ASSI { 836} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HB2 )) 4.900 3.000 1.100 peak 836 spectrum 1 weight 0.11000E+01 volume 0.31541E-03 ppm1 7.839 ppm2 2.759 CV 1 ASSI { 837} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HB1 )) 5.800 4.300 0.200 peak 837 spectrum 1 weight 0.11000E+01 volume 0.17489E-03 ppm1 7.863 ppm2 2.674 CV 1 ASSI { 841} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HA )) 4.900 3.000 1.100 peak 841 spectrum 1 weight 0.11000E+01 volume 0.14977E-03 ppm1 7.788 ppm2 4.339 CV 1 ASSI { 843} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HA )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.11000E+01 volume 0.28220E-02 ppm1 7.722 ppm2 4.277 CV 1 ASSI { 846} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HG2 )) 4.000 2.000 2.000 peak 846 spectrum 1 weight 0.11000E+01 volume 0.80829E-03 ppm1 7.732 ppm2 2.535 CV 1 ASSI { 847} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 14 and name HG2 )) 5.400 3.700 0.600 peak 847 spectrum 1 weight 0.11000E+01 volume 0.13857E-03 ppm1 7.731 ppm2 2.363 CV 1 ASSI { 848} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 21 and name HG2%) 3.300 1.400 1.400 peak 848 spectrum 1 weight 0.11000E+01 volume 0.10028E-02 ppm1 7.770 ppm2 1.283 CV 1 ASSI { 852} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HG2 )) 4.800 2.900 1.200 peak 852 spectrum 1 weight 0.11000E+01 volume 0.59895E-03 ppm1 7.867 ppm2 1.661 CV 1 ASSI { 862} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HA )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.11000E+01 volume 0.47550E-02 ppm1 7.540 ppm2 4.041 CV 1 ASSI { 863} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HG1 )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.11000E+01 volume 0.22520E-02 ppm1 7.539 ppm2 2.321 CV 1 ASSI { 865} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 865 spectrum 1 weight 0.11000E+01 volume 0.13641E-03 ppm1 7.538 ppm2 1.721 CV 1 ASSI { 871} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 138 and name HN )) 4.500 4.500 1.500 peak 871 spectrum 1 weight 0.11000E+01 volume 0.32812E-03 ppm1 8.453 ppm2 8.729 CV 1 ASSI { 872} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 13 and name HB1 )) 3.000 1.100 1.100 peak 872 spectrum 1 weight 0.11000E+01 volume 0.18247E-02 ppm1 7.886 ppm2 2.043 CV 1 ASSI { 873} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 121 and name HB1 )) 4.000 2.000 2.000 peak 873 spectrum 1 weight 0.11000E+01 volume 0.21136E-02 ppm1 7.925 ppm2 2.062 CV 1 ASSI { 880} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HG11)) 2.100 0.600 0.600 peak 880 spectrum 1 weight 0.11000E+01 volume 0.21369E-02 ppm1 8.255 ppm2 1.055 CV 1 ASSI { 881} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 122 and name HD1%) 4.000 2.000 2.000 peak 881 spectrum 1 weight 0.11000E+01 volume 0.16076E-02 ppm1 8.257 ppm2 0.825 CV 1 OR { 881} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 122 and name HG2%) ASSI { 883} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 128 and name HN )) 6.000 6.000 0.000 peak 883 spectrum 1 weight 0.11000E+01 volume 0.24522E-03 ppm1 8.401 ppm2 8.221 CV 1 ASSI { 886} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 35 and name HN )) 5.100 3.200 0.900 peak 886 spectrum 1 weight 0.11000E+01 volume 0.14034E-03 ppm1 8.394 ppm2 8.711 CV 1 ASSI { 887} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HB )) 4.600 2.600 1.400 peak 887 spectrum 1 weight 0.11000E+01 volume 0.66911E-03 ppm1 7.741 ppm2 1.476 CV 1 ASSI { 888} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 59 and name HN )) 2.900 2.900 3.100 peak 888 spectrum 1 weight 0.11000E+01 volume 0.22726E-03 ppm1 10.776 ppm2 7.862 CV 1 ASSI { 892} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HB1 )) 2.600 0.800 0.800 peak 892 spectrum 1 weight 0.11000E+01 volume 0.39065E-02 ppm1 8.011 ppm2 1.820 CV 1 ASSI { 896} (( segid "A " and resid 102 and name HN )) ( segid "A " and resid 101 and name HD1%) 6.000 5.200 0.000 peak 896 spectrum 1 weight 0.11000E+01 volume 0.86345E-04 ppm1 8.573 ppm2 0.894 CV 1 OR { 896} (( segid "A " and resid 102 and name HN )) ( segid "A " and resid 101 and name HD2%) ASSI { 897} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HG12)) 3.600 1.600 1.600 peak 897 spectrum 1 weight 0.11000E+01 volume 0.13579E-02 ppm1 7.548 ppm2 1.154 CV 1 ASSI { 901} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HB1 )) 2.600 0.900 0.900 peak 901 spectrum 1 weight 0.11000E+01 volume 0.24534E-02 ppm1 7.502 ppm2 2.300 CV 1 OR { 901} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HG2 )) ASSI { 905} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 39 and name HG2%) 3.500 1.500 1.500 peak 905 spectrum 1 weight 0.11000E+01 volume 0.11529E-02 ppm1 7.956 ppm2 1.058 CV 1 ASSI { 909} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 95 and name HA2 )) 6.000 5.300 0.000 peak 909 spectrum 1 weight 0.11000E+01 volume 0.24898E-03 ppm1 8.003 ppm2 3.815 CV 1 OR { 909} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 95 and name HA1 )) ASSI { 910} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 94 and name HB1 )) 3.600 1.600 1.600 peak 910 spectrum 1 weight 0.11000E+01 volume 0.13838E-02 ppm1 8.005 ppm2 3.114 CV 1 ASSI { 911} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HA1 )) 4.500 2.500 1.500 peak 911 spectrum 1 weight 0.11000E+01 volume 0.39832E-03 ppm1 7.645 ppm2 3.477 CV 1 ASSI { 912} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 98 and name HA )) 3.100 1.200 1.200 peak 912 spectrum 1 weight 0.11000E+01 volume 0.86253E-03 ppm1 7.646 ppm2 5.182 CV 1 ASSI { 914} (( segid "A " and resid 98 and name HN )) ( segid "A " and resid 98 and name HE% ) 5.800 5.800 0.200 peak 914 spectrum 1 weight 0.11000E+01 volume 0.18469E-03 ppm1 7.648 ppm2 6.833 CV 1 ASSI { 915} (( segid "A " and resid 98 and name HN )) ( segid "A " and resid 98 and name HD% ) 4.600 2.600 1.400 peak 915 spectrum 1 weight 0.11000E+01 volume 0.13304E-03 ppm1 7.652 ppm2 6.938 CV 1 ASSI { 916} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HB1 )) 3.500 1.500 1.500 peak 916 spectrum 1 weight 0.11000E+01 volume 0.82610E-03 ppm1 8.512 ppm2 3.239 CV 1 OR { 916} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HA )) ASSI { 923} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 21 and name HN )) 4.900 3.000 1.100 peak 923 spectrum 1 weight 0.11000E+01 volume 0.50039E-03 ppm1 8.161 ppm2 8.019 CV 1 ASSI { 924} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 60 and name HN )) 4.300 2.300 1.700 peak 924 spectrum 1 weight 0.11000E+01 volume 0.67577E-03 ppm1 7.963 ppm2 8.801 CV 1 ASSI { 925} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 67 and name HN )) 6.000 6.000 0.000 peak 925 spectrum 1 weight 0.11000E+01 volume 0.85283E-04 ppm1 7.963 ppm2 8.477 CV 1 ASSI { 928} (( segid "A " and resid 179 and name HN )) (( segid "A " and resid 178 and name HN )) 4.200 2.200 1.800 peak 928 spectrum 1 weight 0.11000E+01 volume 0.14057E-02 ppm1 7.968 ppm2 8.216 CV 1 ASSI { 931} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 26 and name HG2%) 6.000 6.000 0.000 peak 931 spectrum 1 weight 0.11000E+01 volume 0.36110E-04 ppm1 9.103 ppm2 1.168 CV 1 ASSI { 932} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 63 and name HD1%) 6.000 6.000 0.000 peak 932 spectrum 1 weight 0.11000E+01 volume 0.74728E-04 ppm1 9.097 ppm2 0.940 CV 1 ASSI { 933} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 26 and name HG2%) 5.500 3.800 0.500 peak 933 spectrum 1 weight 0.11000E+01 volume 0.31463E-03 ppm1 9.742 ppm2 1.180 CV 1 ASSI { 934} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 62 and name HG2%) 5.600 3.900 0.400 peak 934 spectrum 1 weight 0.11000E+01 volume 0.57220E-04 ppm1 9.740 ppm2 1.085 CV 1 ASSI { 938} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 26 and name HG2%) 6.000 6.000 0.000 peak 938 spectrum 1 weight 0.11000E+01 volume 0.40624E-04 ppm1 9.673 ppm2 1.177 CV 1 ASSI { 939} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 57 and name HD1%) 4.100 2.100 1.900 peak 939 spectrum 1 weight 0.11000E+01 volume 0.10901E-02 ppm1 8.029 ppm2 0.952 CV 1 ASSI { 940} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 55 and name HB% ) 6.000 5.900 0.000 peak 940 spectrum 1 weight 0.11000E+01 volume 0.48242E-04 ppm1 8.027 ppm2 1.351 CV 1 ASSI { 944} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HB2 )) 6.000 6.000 0.000 peak 944 spectrum 1 weight 0.11000E+01 volume 0.50383E-04 ppm1 8.033 ppm2 3.019 CV 1 ASSI { 945} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 58 and name HA )) 6.000 6.000 0.000 peak 945 spectrum 1 weight 0.11000E+01 volume 0.50050E-04 ppm1 8.059 ppm2 4.659 CV 1 ASSI { 952} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 30 and name HB1 )) 6.000 6.000 0.000 peak 952 spectrum 1 weight 0.11000E+01 volume 0.32013E-04 ppm1 8.631 ppm2 2.467 CV 1 ASSI { 953} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 137 and name HB1 )) 6.000 5.300 0.000 peak 953 spectrum 1 weight 0.11000E+01 volume 0.48474E-04 ppm1 8.629 ppm2 2.036 CV 1 ASSI { 957} (( segid "A " and resid 67 and name HN )) ( segid "A " and resid 63 and name HG2%) 5.700 4.100 0.300 peak 957 spectrum 1 weight 0.11000E+01 volume 0.15767E-03 ppm1 8.429 ppm2 1.264 CV 1 ASSI { 961} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HG2 )) 4.200 2.200 1.800 peak 961 spectrum 1 weight 0.11000E+01 volume 0.14748E-02 ppm1 8.353 ppm2 1.408 CV 1 ASSI { 963} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HB1 )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.11000E+01 volume 0.20185E-02 ppm1 8.412 ppm2 1.474 CV 1 ASSI { 965} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 104 and name HD1%) 6.000 6.000 0.000 peak 965 spectrum 1 weight 0.11000E+01 volume 0.12702E-03 ppm1 8.491 ppm2 0.826 CV 1 ASSI { 967} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 51 and name HD1%) 5.500 3.800 0.500 peak 967 spectrum 1 weight 0.11000E+01 volume 0.18406E-03 ppm1 8.340 ppm2 0.807 CV 1 OR { 967} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 51 and name HD2%) ASSI { 980} (( segid "A " and resid 20 and name HN )) ( segid "A " and resid 19 and name HG2%) 3.500 1.500 1.500 peak 980 spectrum 1 weight 0.11000E+01 volume 0.18591E-02 ppm1 7.875 ppm2 0.801 CV 1 ASSI { 982} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 101 and name HD1%) 6.000 5.500 0.000 peak 982 spectrum 1 weight 0.11000E+01 volume 0.14061E-03 ppm1 9.075 ppm2 0.956 CV 1 ASSI { 983} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 101 and name HD2%) 5.000 3.100 1.000 peak 983 spectrum 1 weight 0.11000E+01 volume 0.10108E-03 ppm1 9.069 ppm2 0.881 CV 1 OR { 983} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 101 and name HD1%) ASSI { 984} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 122 and name HG2%) 5.200 3.400 0.800 peak 984 spectrum 1 weight 0.11000E+01 volume 0.24444E-03 ppm1 9.068 ppm2 0.782 CV 1 OR { 984} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 122 and name HD1%) ASSI { 985} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HG )) 5.400 3.600 0.600 peak 985 spectrum 1 weight 0.11000E+01 volume 0.32562E-03 ppm1 7.942 ppm2 1.782 CV 1 ASSI { 986} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 8 and name HB2 )) 3.400 3.400 2.600 peak 986 spectrum 1 weight 0.11000E+01 volume 0.14786E-02 ppm1 7.961 ppm2 2.216 CV 1 ASSI { 990} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HB2 )) 5.800 4.200 0.200 peak 990 spectrum 1 weight 0.11000E+01 volume 0.15913E-03 ppm1 8.133 ppm2 2.223 CV 1 ASSI { 991} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HB1 )) 3.100 3.100 2.900 peak 991 spectrum 1 weight 0.11000E+01 volume 0.14886E-02 ppm1 8.065 ppm2 2.140 CV 1 ASSI { 992} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 125 and name HB )) 2.800 1.000 1.000 peak 992 spectrum 1 weight 0.11000E+01 volume 0.14536E-02 ppm1 8.180 ppm2 1.813 CV 1 ASSI { 993} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HG11)) 3.800 1.800 1.800 peak 993 spectrum 1 weight 0.11000E+01 volume 0.16710E-02 ppm1 8.163 ppm2 1.698 CV 1 ASSI { 994} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HB )) 2.600 0.800 0.800 peak 994 spectrum 1 weight 0.11000E+01 volume 0.20555E-02 ppm1 8.163 ppm2 1.920 CV 1 ASSI { 997} (( segid "A " and resid 146 and name HN )) (( segid "A " and resid 144 and name HB2 )) 3.200 1.300 1.300 peak 997 spectrum 1 weight 0.11000E+01 volume 0.26192E-02 ppm1 7.607 ppm2 1.867 CV 1 ASSI { 999} (( segid "A " and resid 92 and name HN )) ( segid "A " and resid 99 and name HD1%) 4.700 2.800 1.300 peak 999 spectrum 1 weight 0.11000E+01 volume 0.81498E-04 ppm1 7.874 ppm2 0.178 CV 1 OR { 999} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 99 and name HG11)) ASSI { 1000} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 99 and name HG12)) 5.700 4.100 0.300 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.67658E-04 ppm1 7.874 ppm2 1.074 CV 1 ASSI { 1002} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HD1 )) 5.800 5.800 0.200 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.20834E-03 ppm1 7.702 ppm2 1.289 CV 1 OR { 1002} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HG1 )) ASSI { 1009} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HA )) 6.000 4.800 0.000 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.35264E-04 ppm1 7.892 ppm2 4.044 CV 1 ASSI { 1010} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HA )) 3.500 1.500 1.500 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.12296E-02 ppm1 7.657 ppm2 4.213 CV 1 ASSI { 1013} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 26 and name HG2%) 5.500 3.800 0.500 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.10722E-03 ppm1 8.719 ppm2 1.173 CV 1 ASSI { 1014} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB1 )) 5.300 3.500 0.700 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.21250E-03 ppm1 7.994 ppm2 3.280 CV 1 ASSI { 1015} (( segid "A " and resid 151 and name HN )) (( segid "A " and resid 149 and name HN )) 6.000 6.000 0.000 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.34932E-04 ppm1 7.985 ppm2 8.236 CV 1 ASSI { 1016} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.11232E-02 ppm1 7.400 ppm2 1.920 CV 1 ASSI { 1017} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 18 and name HB2 )) 4.200 2.200 1.800 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.28925E-03 ppm1 7.507 ppm2 2.257 CV 1 ASSI { 1019} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HG11)) 3.400 3.400 2.600 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.18162E-02 ppm1 7.444 ppm2 0.684 CV 1 OR { 1019} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 19 and name HD1%) ASSI { 1025} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HG2%) 3.900 1.900 1.900 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.11430E-02 ppm1 7.393 ppm2 0.773 CV 1 OR { 1025} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HG1%) ASSI { 1026} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 31 and name HB1 )) 5.600 3.900 0.400 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.14059E-03 ppm1 8.067 ppm2 2.146 CV 1 ASSI { 1027} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 69 and name HG2%) 4.500 2.500 1.500 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.11496E-02 ppm1 8.143 ppm2 0.739 CV 1 ASSI { 1031} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 133 and name HG11)) 3.200 1.300 1.300 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.27078E-03 ppm1 9.181 ppm2 1.018 CV 1 ASSI { 1034} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 68 and name HZ )) 6.000 6.000 0.000 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.23216E-04 ppm1 8.451 ppm2 7.159 CV 1 ASSI { 1036} (( segid "A " and resid 17 and name HN )) ( segid "A " and resid 65 and name HD% ) 6.000 6.000 0.000 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.65583E-04 ppm1 7.877 ppm2 6.406 CV 1 ASSI { 1037} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 149 and name HA2 )) 5.500 3.800 0.500 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.23824E-03 ppm1 7.861 ppm2 3.937 CV 1 ASSI { 1038} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 148 and name HA )) 6.000 5.300 0.000 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.26354E-04 ppm1 7.836 ppm2 4.565 CV 1 ASSI { 1039} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 147 and name HA2 )) 6.000 6.000 0.000 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.59393E-04 ppm1 7.832 ppm2 3.856 CV 1 ASSI { 1040} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 148 and name HB2 )) 3.800 1.800 1.800 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.72548E-03 ppm1 7.833 ppm2 2.686 CV 1 ASSI { 1045} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 155 and name HN )) 6.000 5.200 0.000 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.11341E-03 ppm1 7.961 ppm2 7.679 CV 1 ASSI { 1046} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 154 and name HA )) 6.000 4.600 0.000 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.31299E-04 ppm1 7.958 ppm2 4.459 CV 1 ASSI { 1047} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 136 and name HN )) 3.400 3.400 2.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.99239E-04 ppm1 7.962 ppm2 8.290 CV 1 ASSI { 1055} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 97 and name HN )) 2.100 0.500 0.500 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.91679E-02 ppm1 8.560 ppm2 -0.801 CV 1 ASSI { 1056} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 25 and name HN )) 3.800 1.800 1.800 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.18209E-02 ppm1 8.159 ppm2 -0.371 CV 1 ASSI { 1058} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HN )) 1.800 0.400 0.400 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.12080E-01 ppm1 8.810 ppm2 -0.630 CV 1 ASSI { 1060} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HN )) 2.000 0.500 0.500 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.10912E-01 ppm1 7.646 ppm2 -0.798 CV 1 ASSI { 1067} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HN )) 2.100 0.500 0.500 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.13222E-01 ppm1 7.601 ppm2 -0.629 CV 1 ASSI { 1071} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 20 and name HB2 )) 6.000 4.700 0.000 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.18620E-04 ppm1 7.756 ppm2 2.550 CV 1 ASSI { 1072} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 31 and name HB1 )) 6.000 6.000 0.000 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.17740E-04 ppm1 7.756 ppm2 2.109 CV 1 ASSI { 1074} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 27 and name HN )) 5.000 3.100 1.000 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.17613E-03 ppm1 7.754 ppm2 9.724 CV 1 ASSI { 1077} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 132 and name HN )) 4.500 4.500 1.500 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.62647E-03 ppm1 8.137 ppm2 7.951 CV 1 ASSI { 1081} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 104 and name HD1%) 6.000 5.300 0.000 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.81630E-04 ppm1 8.262 ppm2 0.595 CV 1 ASSI { 1082} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 118 and name HG2%) 6.000 4.900 0.000 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.82527E-04 ppm1 8.253 ppm2 0.964 CV 1 ASSI { 1083} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 123 and name HG2 )) 6.000 6.000 0.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.33390E-04 ppm1 8.256 ppm2 1.558 CV 1 ASSI { 1085} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 120 and name HB2 )) 6.000 6.000 0.000 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.38667E-04 ppm1 8.257 ppm2 2.797 CV 1 ASSI { 1086} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HG1 )) 6.000 6.000 0.000 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.29224E-04 ppm1 8.251 ppm2 2.653 CV 1 ASSI { 1089} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 4.700 0.000 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.11243E-03 ppm1 8.367 ppm2 7.284 CV 1 ASSI { 1090} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 68 and name HD% ) 5.500 3.800 0.500 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.75027E-04 ppm1 8.153 ppm2 7.004 CV 1 ASSI { 1092} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 68 and name HE% ) 6.000 6.000 0.000 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.65717E-04 ppm1 7.716 ppm2 6.968 CV 1 OR { 1092} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 68 and name HD% ) ASSI { 1094} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 20 and name HB2 )) 5.400 3.700 0.600 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.75176E-04 ppm1 8.629 ppm2 2.553 CV 1 ASSI { 1095} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 26 and name HG2%) 6.000 6.000 0.000 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.99868E-04 ppm1 8.629 ppm2 1.184 CV 1 ASSI { 1097} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 27 and name HG12)) 5.500 3.700 0.500 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.96501E-04 ppm1 7.749 ppm2 0.375 CV 1 ASSI { 1098} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 27 and name HG11)) 6.000 4.500 0.000 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.61701E-04 ppm1 7.741 ppm2 0.948 CV 1 ASSI { 1099} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 62 and name HG2%) 6.000 6.000 0.000 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.32908E-04 ppm1 7.746 ppm2 1.105 CV 1 ASSI { 1101} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 63 and name HG12)) 6.000 6.000 0.000 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.18836E-04 ppm1 9.740 ppm2 1.599 CV 1 ASSI { 1102} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HG12)) 3.500 1.500 1.500 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.93536E-03 ppm1 9.743 ppm2 0.354 CV 1 ASSI { 1103} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 27 and name HD1%) 4.400 2.400 1.600 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.83218E-03 ppm1 9.747 ppm2 0.118 CV 1 ASSI { 1106} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HB )) 6.000 5.700 0.000 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.30236E-04 ppm1 8.746 ppm2 1.759 CV 1 ASSI { 1108} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HG12)) 5.800 4.200 0.200 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.17846E-03 ppm1 8.747 ppm2 0.339 CV 1 ASSI { 1109} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.11074E-03 ppm1 8.752 ppm2 0.120 CV 1 ASSI { 1111} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 26 and name HB )) 6.000 5.200 0.000 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.44824E-04 ppm1 8.739 ppm2 3.799 CV 1 ASSI { 1112} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HA )) 6.000 6.000 0.000 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.62149E-04 ppm1 8.752 ppm2 4.082 CV 1 ASSI { 1116} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HB )) 6.000 6.000 0.000 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.20030E-04 ppm1 8.750 ppm2 4.664 CV 1 ASSI { 1117} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HN )) 3.700 1.700 1.700 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.68281E-03 ppm1 8.747 ppm2 7.518 CV 1 ASSI { 1120} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HN )) 4.600 2.600 1.400 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.40772E-03 ppm1 8.768 ppm2 9.091 CV 1 ASSI { 1123} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 16 and name HE% ) 4.700 2.700 1.300 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.16484E-03 ppm1 8.710 ppm2 6.978 CV 1 ASSI { 1128} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 48 and name HG2%) 6.000 6.000 0.000 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.20578E-04 ppm1 9.410 ppm2 0.776 CV 1 ASSI { 1132} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 29 and name HE% ) 6.000 6.000 0.000 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.94709E-04 ppm1 9.424 ppm2 7.222 CV 1 ASSI { 1133} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 31 and name HB2 )) 6.000 6.000 0.000 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.47528E-04 ppm1 8.397 ppm2 2.344 CV 1 ASSI { 1134} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 28 and name HG2%) 5.100 3.200 0.900 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.66612E-03 ppm1 8.388 ppm2 1.282 CV 1 ASSI { 1135} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HB )) 6.000 4.400 0.000 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.35148E-04 ppm1 8.379 ppm2 4.719 CV 1 ASSI { 1136} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 28 and name HG2%) 4.700 2.700 1.300 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.10762E-02 ppm1 7.530 ppm2 1.280 CV 1 ASSI { 1137} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HN )) 5.800 4.200 0.200 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.10120E-03 ppm1 7.532 ppm2 9.414 CV 1 ASSI { 1139} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HB1 )) 3.300 3.300 2.700 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.10734E-03 ppm1 7.516 ppm2 3.082 CV 1 ASSI { 1140} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 32 and name HD1%) 3.700 1.700 1.700 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.15787E-02 ppm1 8.374 ppm2 0.893 CV 1 OR { 1140} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 32 and name HD2%) ASSI { 1141} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HA )) 3.000 1.100 1.100 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.16481E-02 ppm1 8.398 ppm2 3.866 CV 1 ASSI { 1145} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HB2 )) 4.700 2.800 1.300 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.74200E-03 ppm1 8.701 ppm2 1.867 CV 1 OR { 1145} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HG )) ASSI { 1146} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 33 and name HG2 )) 6.000 5.900 0.000 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.98924E-04 ppm1 8.681 ppm2 1.236 CV 1 ASSI { 1147} (( segid "A " and resid 35 and name HN )) ( segid "A " and resid 19 and name HG2%) 2.500 0.800 0.800 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.27387E-02 ppm1 8.697 ppm2 0.779 CV 1 ASSI { 1157} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 41 and name HN )) 6.000 5.000 0.000 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.79457E-04 ppm1 7.487 ppm2 7.963 CV 1 ASSI { 1159} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HA1 )) 6.000 6.000 0.000 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.46765E-04 ppm1 7.535 ppm2 3.824 CV 1 ASSI { 1160} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB )) 3.500 1.600 1.600 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.14174E-02 ppm1 7.519 ppm2 2.495 CV 1 ASSI { 1161} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HB1 )) 3.100 1.200 1.200 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.16989E-02 ppm1 7.523 ppm2 2.028 CV 1 OR { 1161} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HB2 )) ASSI { 1162} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 36 and name HB2 )) 4.800 2.900 1.200 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.59665E-03 ppm1 7.517 ppm2 1.865 CV 1 OR { 1162} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 36 and name HG )) ASSI { 1163} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HB )) 6.000 6.000 0.000 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.30386E-04 ppm1 7.703 ppm2 2.496 CV 1 ASSI { 1166} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 39 and name HG1%) 6.000 5.100 0.000 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.10304E-03 ppm1 7.694 ppm2 0.791 CV 1 ASSI { 1167} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HB1 )) 6.000 6.000 0.000 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.46201E-04 ppm1 7.709 ppm2 3.577 CV 1 ASSI { 1168} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 35 and name HN )) 4.400 4.400 1.600 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.32461E-03 ppm1 7.928 ppm2 8.644 CV 1 ASSI { 1170} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 44 and name HN )) 5.900 4.300 0.100 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.14302E-03 ppm1 7.817 ppm2 9.270 CV 1 ASSI { 1172} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 37 and name HN )) 3.200 3.200 2.800 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.14586E-03 ppm1 7.810 ppm2 7.518 CV 1 ASSI { 1175} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HA )) 3.200 1.200 1.200 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.12962E-02 ppm1 7.847 ppm2 4.291 CV 1 ASSI { 1176} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 33 and name HA )) 6.000 5.300 0.000 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.45703E-04 ppm1 7.857 ppm2 3.804 CV 1 ASSI { 1177} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HB2 )) 6.000 6.000 0.000 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.40011E-04 ppm1 7.844 ppm2 2.236 CV 1 OR { 1177} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HG2 )) ASSI { 1178} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 48 and name HN )) 6.000 5.100 0.000 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.57385E-04 ppm1 9.273 ppm2 8.118 CV 1 ASSI { 1179} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 47 and name HA )) 6.000 6.000 0.000 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.84104E-04 ppm1 9.287 ppm2 4.214 CV 1 ASSI { 1181} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HN )) 3.300 1.400 1.400 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.72296E-03 ppm1 8.515 ppm2 8.623 CV 1 ASSI { 1183} (( segid "A " and resid 47 and name HN )) ( segid "A " and resid 48 and name HD1%) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.17373E-02 ppm1 7.071 ppm2 0.784 CV 1 ASSI { 1185} (( segid "A " and resid 49 and name HN )) ( segid "A " and resid 29 and name HE% ) 3.900 1.900 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.62787E-03 ppm1 8.349 ppm2 7.226 CV 1 OR { 1185} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 29 and name HZ )) ASSI { 1186} (( segid "A " and resid 49 and name HN )) ( segid "A " and resid 29 and name HE% ) 6.000 6.000 0.000 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.10521E-04 ppm1 8.350 ppm2 7.325 CV 1 OR { 1186} (( segid "A " and resid 49 and name HN )) ( segid "A " and resid 29 and name HD% ) ASSI { 1187} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 46 and name HN )) 5.600 3.900 0.400 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.99006E-04 ppm1 8.340 ppm2 8.655 CV 1 ASSI { 1188} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 52 and name HB2 )) 5.900 4.400 0.100 peak 1188 spectrum 1 weight 0.11000E+01 volume 0.78412E-04 ppm1 8.349 ppm2 2.512 CV 1 OR { 1188} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 52 and name HG2 )) ASSI { 1190} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 47 and name HA )) 6.000 6.000 0.000 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.10189E-04 ppm1 8.354 ppm2 4.245 CV 1 ASSI { 1193} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HB2 )) 6.000 6.000 0.000 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.41322E-04 ppm1 7.794 ppm2 2.493 CV 1 OR { 1193} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HG2 )) ASSI { 1194} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.41901E-02 ppm1 8.360 ppm2 1.961 CV 1 ASSI { 1204} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 86 and name HN )) 5.200 3.300 0.800 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.75424E-04 ppm1 8.071 ppm2 8.354 CV 1 ASSI { 1207} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 89 and name HB1 )) 6.000 6.000 0.000 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.12523E-03 ppm1 8.053 ppm2 4.091 CV 1 OR { 1207} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 89 and name HB2 )) OR { 1207} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 89 and name HA )) ASSI { 1208} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 67 and name HB2 )) 6.000 5.300 0.000 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.89846E-04 ppm1 8.029 ppm2 2.528 CV 1 ASSI { 1209} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 99 and name HG12)) 6.000 6.000 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.25490E-04 ppm1 8.026 ppm2 1.132 CV 1 ASSI { 1212} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 67 and name HB1 )) 5.600 4.000 0.400 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.49785E-04 ppm1 7.955 ppm2 2.223 CV 1 ASSI { 1213} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 59 and name HB2 )) 6.000 5.800 0.000 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.83406E-04 ppm1 7.965 ppm2 1.932 CV 1 ASSI { 1214} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 57 and name HD1%) 5.600 3.900 0.400 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.49197E-03 ppm1 7.965 ppm2 0.947 CV 1 ASSI { 1217} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 56 and name HB1 )) 5.800 4.300 0.200 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.33289E-04 ppm1 7.860 ppm2 2.391 CV 1 ASSI { 1218} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 62 and name HB )) 6.000 5.200 0.000 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.72371E-04 ppm1 8.815 ppm2 3.821 CV 1 ASSI { 1220} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 52 and name HG2 )) 6.000 6.000 0.000 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.10671E-04 ppm1 8.813 ppm2 2.549 CV 1 ASSI { 1224} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 52 and name HB1 )) 5.000 3.200 1.000 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.74612E-04 ppm1 10.784 ppm2 1.965 CV 1 ASSI { 1226} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 56 and name HB2 )) 6.000 5.600 0.000 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.63758E-04 ppm1 7.587 ppm2 3.001 CV 1 ASSI { 1230} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HG11)) 6.000 5.000 0.000 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.10209E-03 ppm1 9.106 ppm2 1.071 CV 1 ASSI { 1232} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 68 and name HB1 )) 6.000 5.400 0.000 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.67061E-04 ppm1 8.713 ppm2 3.264 CV 1 ASSI { 1234} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 67 and name HG1 )) 6.000 6.000 0.000 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.35795E-04 ppm1 8.284 ppm2 2.948 CV 1 ASSI { 1236} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 67 and name HA )) 6.000 6.000 0.000 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.19947E-04 ppm1 8.278 ppm2 4.209 CV 1 ASSI { 1237} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 67 and name HG2 )) 6.000 6.000 0.000 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.27298E-04 ppm1 8.276 ppm2 2.388 CV 1 ASSI { 1240} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 65 and name HD% ) 6.000 5.000 0.000 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.76288E-04 ppm1 8.279 ppm2 6.353 CV 1 ASSI { 1242} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 71 and name HB% ) 6.000 5.000 0.000 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.94177E-04 ppm1 8.852 ppm2 1.421 CV 1 ASSI { 1243} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 69 and name HG12)) 4.900 3.000 1.100 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.56319E-03 ppm1 8.852 ppm2 1.185 CV 1 ASSI { 1244} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 69 and name HG11)) 6.000 6.000 0.000 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.22337E-04 ppm1 8.859 ppm2 1.098 CV 1 ASSI { 1245} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 27 and name HG11)) 6.000 6.000 0.000 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.87390E-04 ppm1 8.850 ppm2 1.019 CV 1 ASSI { 1246} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 69 and name HD1%) 6.000 6.000 0.000 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.19931E-04 ppm1 8.850 ppm2 0.733 CV 1 OR { 1246} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 69 and name HG2%) ASSI { 1247} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 66 and name HA1 )) 6.000 6.000 0.000 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.28360E-04 ppm1 8.854 ppm2 3.538 CV 1 ASSI { 1248} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HA )) 5.100 3.200 0.900 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.12116E-03 ppm1 7.436 ppm2 3.605 CV 1 ASSI { 1249} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 57 and name HG11)) 6.000 6.000 0.000 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.65451E-04 ppm1 7.442 ppm2 1.621 CV 1 ASSI { 1255} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 69 and name HG2%) 6.000 5.500 0.000 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.61567E-04 ppm1 7.634 ppm2 0.721 CV 1 ASSI { 1256} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 68 and name HA )) 5.300 3.500 0.700 peak 1256 spectrum 1 weight 0.11000E+01 volume 0.10457E-03 ppm1 7.640 ppm2 3.989 CV 1 ASSI { 1263} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HA )) 5.400 3.600 0.600 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.66929E-04 ppm1 7.765 ppm2 4.700 CV 1 ASSI { 1268} (( segid "A " and resid 146 and name HN )) (( segid "A " and resid 143 and name HB2 )) 3.100 3.100 2.900 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.15166E-03 ppm1 7.602 ppm2 1.779 CV 1 ASSI { 1272} (( segid "A " and resid 153 and name HN )) (( segid "A " and resid 152 and name HN )) 4.600 4.600 1.400 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.20590E-03 ppm1 8.074 ppm2 8.409 CV 1 ASSI { 1273} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HN )) 5.600 4.000 0.400 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.14404E-03 ppm1 8.071 ppm2 8.237 CV 1 ASSI { 1274} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.40608E-04 ppm1 8.074 ppm2 7.916 CV 1 ASSI { 1275} (( segid "A " and resid 153 and name HN )) (( segid "A " and resid 151 and name HA )) 5.800 4.200 0.200 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.13678E-03 ppm1 8.067 ppm2 4.133 CV 1 ASSI { 1277} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HB2 )) 6.000 4.700 0.000 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.93231E-04 ppm1 8.062 ppm2 1.886 CV 1 OR { 1277} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HG )) ASSI { 1279} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 88 and name HB1 )) 6.000 6.000 0.000 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.19881E-04 ppm1 8.070 ppm2 3.275 CV 1 ASSI { 1280} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 76 and name HA )) 3.400 3.400 2.600 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.10345E-03 ppm1 8.069 ppm2 4.681 CV 1 ASSI { 1283} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 88 and name HB2 )) 6.000 6.000 0.000 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.38401E-04 ppm1 8.067 ppm2 2.853 CV 1 ASSI { 1285} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 88 and name HE% ) 5.700 5.700 0.300 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.80088E-04 ppm1 8.540 ppm2 7.105 CV 1 ASSI { 1287} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 138 and name HB2 )) 6.000 5.300 0.000 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.48341E-04 ppm1 8.556 ppm2 3.345 CV 1 ASSI { 1288} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 92 and name HB2 )) 4.000 2.000 2.000 peak 1288 spectrum 1 weight 0.11000E+01 volume 0.34169E-04 ppm1 8.539 ppm2 1.391 CV 1 ASSI { 1290} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HB2 )) 5.400 5.400 0.600 peak 1290 spectrum 1 weight 0.11000E+01 volume 0.10080E-03 ppm1 8.514 ppm2 2.894 CV 1 ASSI { 1293} (( segid "A " and resid 90 and name HN )) ( segid "A " and resid 90 and name HD% ) 6.000 6.000 0.000 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.54232E-04 ppm1 7.513 ppm2 6.474 CV 1 ASSI { 1294} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 87 and name HA )) 4.700 2.700 1.300 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.11600E-03 ppm1 7.514 ppm2 4.321 CV 1 ASSI { 1295} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 88 and name HA )) 6.000 5.800 0.000 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.45819E-04 ppm1 7.517 ppm2 3.204 CV 1 OR { 1295} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 88 and name HB1 )) ASSI { 1301} (( segid "A " and resid 91 and name HN )) ( segid "A " and resid 99 and name HD1%) 6.000 5.400 0.000 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.15115E-03 ppm1 7.017 ppm2 0.180 CV 1 ASSI { 1302} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 138 and name HB2 )) 6.000 6.000 0.000 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.29208E-04 ppm1 7.872 ppm2 3.332 CV 1 ASSI { 1303} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HA )) 4.600 2.700 1.400 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.19258E-03 ppm1 7.857 ppm2 3.787 CV 1 ASSI { 1305} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 114 and name HN )) 4.800 2.900 1.200 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.22166E-03 ppm1 7.872 ppm2 8.594 CV 1 ASSI { 1306} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 103 and name HB1 )) 5.100 3.200 0.900 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.63691E-04 ppm1 7.970 ppm2 2.535 CV 1 OR { 1306} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 103 and name HG2 )) ASSI { 1307} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 93 and name HG2 )) 6.000 5.000 0.000 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.10354E-03 ppm1 8.001 ppm2 1.403 CV 1 ASSI { 1313} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 94 and name HB1 )) 5.200 3.400 0.800 peak 1313 spectrum 1 weight 0.11000E+01 volume 0.16179E-03 ppm1 7.942 ppm2 3.117 CV 1 ASSI { 1314} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 97 and name HA1 )) 6.000 6.000 0.000 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.10500E-03 ppm1 8.561 ppm2 3.458 CV 1 ASSI { 1321} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 99 and name HN )) 6.000 6.000 0.000 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.33024E-04 ppm1 7.646 ppm2 10.138 CV 1 ASSI { 1325} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HG12)) 3.400 1.500 1.500 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.19470E-02 ppm1 10.156 ppm2 1.127 CV 1 ASSI { 1327} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 104 and name HD1%) 6.000 6.000 0.000 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.59411E-04 ppm1 10.154 ppm2 0.614 CV 1 OR { 1327} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 104 and name HG11)) ASSI { 1328} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 101 and name HG )) 6.000 6.000 0.000 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.83158E-04 ppm1 8.630 ppm2 1.610 CV 1 ASSI { 1329} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HG12)) 6.000 6.000 0.000 peak 1329 spectrum 1 weight 0.11000E+01 volume 0.32111E-04 ppm1 8.651 ppm2 1.191 CV 1 ASSI { 1330} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 99 and name HG2%) 3.100 1.200 1.200 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.31345E-02 ppm1 8.653 ppm2 0.794 CV 1 ASSI { 1332} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HG11)) 6.000 6.000 0.000 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.20396E-04 ppm1 8.668 ppm2 0.153 CV 1 OR { 1332} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 99 and name HD1%) ASSI { 1334} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 103 and name HN )) 3.800 1.800 1.800 peak 1334 spectrum 1 weight 0.11000E+01 volume 0.62150E-03 ppm1 8.657 ppm2 7.531 CV 1 ASSI { 1336} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 103 and name HN )) 6.000 5.500 0.000 peak 1336 spectrum 1 weight 0.11000E+01 volume 0.45123E-04 ppm1 9.068 ppm2 7.566 CV 1 ASSI { 1337} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 132 and name HB1 )) 6.000 5.800 0.000 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.43280E-04 ppm1 9.090 ppm2 1.851 CV 1 OR { 1337} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 132 and name HB2 )) ASSI { 1338} (( segid "A " and resid 102 and name HN )) ( segid "A " and resid 100 and name HG2%) 6.000 6.000 0.000 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.42583E-04 ppm1 8.569 ppm2 1.294 CV 1 ASSI { 1339} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 103 and name HB2 )) 6.000 5.900 0.000 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.74163E-04 ppm1 8.568 ppm2 2.527 CV 1 OR { 1339} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 103 and name HB1 )) ASSI { 1341} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 100 and name HB )) 6.000 4.800 0.000 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.28710E-04 ppm1 8.572 ppm2 4.669 CV 1 ASSI { 1345} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 113 and name HB1 )) 3.600 1.600 1.600 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.49509E-03 ppm1 7.957 ppm2 1.535 CV 1 ASSI { 1346} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HG1 )) 3.200 1.200 1.200 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.16070E-02 ppm1 8.421 ppm2 2.307 CV 1 ASSI { 1348} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 122 and name HA )) 3.500 3.500 2.500 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.75973E-04 ppm1 8.007 ppm2 3.559 CV 1 ASSI { 1349} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 126 and name HB2 )) 3.800 1.800 1.800 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.10229E-03 ppm1 8.008 ppm2 2.915 CV 1 ASSI { 1354} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 105 and name HB2 )) 6.000 6.000 0.000 peak 1354 spectrum 1 weight 0.11000E+01 volume 0.20030E-04 ppm1 8.149 ppm2 2.107 CV 1 ASSI { 1356} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 105 and name HN )) 6.000 6.000 0.000 peak 1356 spectrum 1 weight 0.11000E+01 volume 0.32908E-04 ppm1 8.148 ppm2 8.455 CV 1 ASSI { 1357} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HA )) 4.800 4.800 1.200 peak 1357 spectrum 1 weight 0.11000E+01 volume 0.13953E-03 ppm1 7.985 ppm2 4.409 CV 1 ASSI { 1358} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 111 and name HD% ) 3.400 1.400 1.400 peak 1358 spectrum 1 weight 0.11000E+01 volume 0.47160E-03 ppm1 7.991 ppm2 7.299 CV 1 ASSI { 1360} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 111 and name HE% ) 6.000 6.000 0.000 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.43064E-04 ppm1 7.991 ppm2 7.405 CV 1 ASSI { 1361} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HA1 )) 3.600 1.700 1.700 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.75056E-03 ppm1 8.032 ppm2 3.903 CV 1 OR { 1361} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HA2 )) ASSI { 1364} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 117 and name HB2 )) 6.000 6.000 0.000 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.63691E-04 ppm1 8.629 ppm2 3.037 CV 1 ASSI { 1369} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 111 and name HB1 )) 6.000 6.000 0.000 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.31946E-04 ppm1 8.184 ppm2 3.297 CV 1 ASSI { 1370} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 126 and name HA )) 5.200 3.400 0.800 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.51810E-04 ppm1 8.174 ppm2 4.411 CV 1 ASSI { 1371} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HA )) 5.400 3.600 0.600 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.30950E-04 ppm1 8.152 ppm2 3.852 CV 1 ASSI { 1373} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HG12)) 4.500 2.600 1.500 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.10617E-03 ppm1 8.159 ppm2 1.072 CV 1 ASSI { 1374} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 117 and name HA )) 6.000 5.700 0.000 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.32560E-04 ppm1 8.148 ppm2 4.649 CV 1 ASSI { 1381} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HE2 )) 6.000 5.300 0.000 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.50483E-04 ppm1 7.749 ppm2 2.996 CV 1 ASSI { 1382} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 76 and name HA )) 6.000 6.000 0.000 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.62580E-04 ppm1 7.729 ppm2 4.675 CV 1 ASSI { 1385} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 138 and name HN )) 5.200 5.200 0.800 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.14376E-03 ppm1 7.722 ppm2 8.839 CV 1 ASSI { 1386} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 137 and name HN )) 5.300 3.500 0.700 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.12438E-03 ppm1 7.713 ppm2 8.623 CV 1 ASSI { 1387} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 126 and name HN )) 4.300 4.300 1.700 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.60775E-03 ppm1 7.496 ppm2 8.154 CV 1 ASSI { 1390} (( segid "A " and resid 125 and name HN )) ( segid "A " and resid 122 and name HG2%) 6.000 6.000 0.000 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.43463E-04 ppm1 7.538 ppm2 0.841 CV 1 ASSI { 1391} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 133 and name HG11)) 6.000 6.000 0.000 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.15002E-04 ppm1 7.538 ppm2 1.008 CV 1 ASSI { 1392} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HB )) 4.700 2.700 1.300 peak 1392 spectrum 1 weight 0.11000E+01 volume 0.73403E-03 ppm1 7.505 ppm2 1.824 CV 1 ASSI { 1393} (( segid "A " and resid 124 and name HN )) ( segid "A " and resid 122 and name HG2%) 6.000 6.000 0.000 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.58945E-04 ppm1 7.509 ppm2 0.835 CV 1 ASSI { 1395} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 122 and name HN )) 4.700 2.800 1.300 peak 1395 spectrum 1 weight 0.11000E+01 volume 0.13417E-03 ppm1 7.515 ppm2 8.276 CV 1 ASSI { 1396} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HN )) 2.000 0.500 0.500 peak 1396 spectrum 1 weight 0.11000E+01 volume 0.71832E-02 ppm1 7.506 ppm2 7.735 CV 1 ASSI { 1398} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 122 and name HA )) 6.000 4.500 0.000 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.30120E-04 ppm1 7.552 ppm2 3.585 CV 1 ASSI { 1402} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 122 and name HN )) 5.400 3.600 0.600 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.11819E-03 ppm1 7.559 ppm2 8.267 CV 1 ASSI { 1403} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 123 and name HN )) 5.000 3.200 1.000 peak 1403 spectrum 1 weight 0.11000E+01 volume 0.25937E-03 ppm1 7.559 ppm2 7.717 CV 1 ASSI { 1404} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HA )) 4.400 2.400 1.600 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.42744E-03 ppm1 8.135 ppm2 4.216 CV 1 ASSI { 1405} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 9 and name HA )) 4.100 2.100 1.900 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.38959E-03 ppm1 8.133 ppm2 4.000 CV 1 ASSI { 1408} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 141 and name HB2 )) 6.000 5.300 0.000 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.59710E-04 ppm1 8.630 ppm2 2.180 CV 1 ASSI { 1411} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 63 and name HG2%) 3.500 3.500 2.500 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.22536E-02 ppm1 8.159 ppm2 1.328 CV 1 ASSI { 1414} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 127 and name HB2 )) 6.000 6.000 0.000 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.56789E-04 ppm1 7.728 ppm2 2.248 CV 1 ASSI { 1416} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 127 and name HN )) 5.200 3.400 0.800 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.46688E-03 ppm1 7.732 ppm2 8.632 CV 1 ASSI { 1417} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 132 and name HN )) 4.000 2.000 2.000 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.54757E-03 ppm1 7.720 ppm2 7.987 CV 1 ASSI { 1419} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 123 and name HA )) 6.000 6.000 0.000 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.27996E-04 ppm1 10.214 ppm2 4.133 CV 1 ASSI { 1420} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 122 and name HA )) 6.000 6.000 0.000 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.83224E-04 ppm1 10.236 ppm2 3.550 CV 1 ASSI { 1421} (( segid "A " and resid 131 and name HN )) ( segid "A " and resid 122 and name HG2%) 6.000 6.000 0.000 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.70379E-04 ppm1 10.224 ppm2 0.829 CV 1 ASSI { 1424} (( segid "A " and resid 133 and name HN )) ( segid "A " and resid 98 and name HD% ) 6.000 6.000 0.000 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.51146E-04 ppm1 9.181 ppm2 6.896 CV 1 ASSI { 1425} (( segid "A " and resid 133 and name HN )) ( segid "A " and resid 100 and name HG2%) 3.800 1.800 1.800 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.45620E-04 ppm1 9.188 ppm2 1.291 CV 1 ASSI { 1428} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 133 and name HG12)) 6.000 6.000 0.000 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.20610E-04 ppm1 9.455 ppm2 1.461 CV 1 ASSI { 1430} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 127 and name HE22)) 6.000 6.000 0.000 peak 1430 spectrum 1 weight 0.11000E+01 volume 0.58880E-04 ppm1 9.407 ppm2 6.744 CV 1 ASSI { 1435} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 136 and name HA1 )) 6.000 6.000 0.000 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.12232E-03 ppm1 8.534 ppm2 3.891 CV 1 ASSI { 1437} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 134 and name HB2 )) 6.000 5.300 0.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.83373E-04 ppm1 8.240 ppm2 3.197 CV 1 ASSI { 1439} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 137 and name HB2 )) 4.800 2.900 1.200 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.50906E-03 ppm1 8.236 ppm2 2.588 CV 1 ASSI { 1442} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 138 and name HB2 )) 6.000 6.000 0.000 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.19400E-04 ppm1 8.234 ppm2 3.363 CV 1 ASSI { 1444} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 134 and name HN )) 5.200 3.300 0.800 peak 1444 spectrum 1 weight 0.11000E+01 volume 0.92169E-04 ppm1 8.633 ppm2 9.401 CV 1 ASSI { 1447} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HA2 )) 5.200 3.400 0.800 peak 1447 spectrum 1 weight 0.11000E+01 volume 0.18831E-03 ppm1 8.625 ppm2 3.648 CV 1 ASSI { 1448} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 48 and name HG12)) 6.000 6.000 0.000 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.56356E-04 ppm1 8.631 ppm2 1.839 CV 1 ASSI { 1451} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 141 and name HB2 )) 6.000 6.000 0.000 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.43695E-04 ppm1 8.785 ppm2 2.184 CV 1 ASSI { 1452} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HG1 )) 6.000 5.600 0.000 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.61949E-04 ppm1 8.776 ppm2 2.935 CV 1 ASSI { 1453} (( segid "A " and resid 138 and name HN )) ( segid "A " and resid 138 and name HD% ) 6.000 6.000 0.000 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.53984E-04 ppm1 8.767 ppm2 7.046 CV 1 OR { 1453} (( segid "A " and resid 138 and name HN )) ( segid "A " and resid 138 and name HE% ) ASSI { 1454} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 133 and name HN )) 3.700 3.700 2.300 peak 1454 spectrum 1 weight 0.11000E+01 volume 0.56722E-04 ppm1 8.768 ppm2 9.202 CV 1 ASSI { 1457} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 138 and name HB1 )) 3.600 1.600 1.600 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.36992E-03 ppm1 8.967 ppm2 3.178 CV 1 ASSI { 1458} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 138 and name HB2 )) 5.000 3.200 1.000 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.21985E-03 ppm1 9.005 ppm2 3.337 CV 1 ASSI { 1459} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 139 and name HA )) 3.900 1.900 1.900 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.57835E-03 ppm1 8.987 ppm2 3.671 CV 1 ASSI { 1462} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 140 and name HN )) 3.200 1.300 1.300 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.83139E-03 ppm1 8.951 ppm2 7.669 CV 1 ASSI { 1467} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 48 and name HG11)) 4.100 4.100 1.900 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.31132E-04 ppm1 7.727 ppm2 0.697 CV 1 ASSI { 1468} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 141 and name HB2 )) 6.000 6.000 0.000 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.27747E-04 ppm1 7.692 ppm2 2.185 CV 1 ASSI { 1470} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 1470 spectrum 1 weight 0.11000E+01 volume 0.47479E-04 ppm1 7.507 ppm2 0.111 CV 1 ASSI { 1475} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 21 and name HN )) 3.000 3.000 3.000 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.21242E-03 ppm1 8.697 ppm2 8.044 CV 1 ASSI { 1478} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HD2 )) 6.000 5.000 0.000 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.12553E-03 ppm1 7.500 ppm2 1.740 CV 1 ASSI { 1481} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 37 and name HD2 )) 3.900 1.900 1.900 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.41869E-04 ppm1 7.862 ppm2 1.749 CV 1 ASSI { 1482} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 39 and name HG2%) 6.000 6.000 0.000 peak 1482 spectrum 1 weight 0.11000E+01 volume 0.26619E-04 ppm1 7.871 ppm2 1.055 CV 1 ASSI { 1483} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 39 and name HG1%) 6.000 6.000 0.000 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.70761E-04 ppm1 7.876 ppm2 0.958 CV 1 ASSI { 1486} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 37 and name HA )) 6.000 6.000 0.000 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.31016E-04 ppm1 7.821 ppm2 4.164 CV 1 ASSI { 1488} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HB2 )) 6.000 6.000 0.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.41753E-04 ppm1 7.808 ppm2 2.326 CV 1 ASSI { 1489} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 114 and name HN )) 6.000 6.000 0.000 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.10302E-03 ppm1 7.836 ppm2 8.576 CV 1 ASSI { 1492} (( segid "A " and resid 35 and name HN )) ( segid "A " and resid 19 and name HD1%) 6.000 5.100 0.000 peak 1492 spectrum 1 weight 0.11000E+01 volume 0.10520E-03 ppm1 8.725 ppm2 0.682 CV 1 OR { 1492} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 19 and name HG11)) ASSI { 1498} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HE2 )) 6.000 6.000 0.000 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.57883E-04 ppm1 8.385 ppm2 2.833 CV 1 ASSI { 1501} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 52 and name HB1 )) 4.300 2.300 1.700 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.24477E-04 ppm1 7.599 ppm2 1.950 CV 1 ASSI { 1503} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 59 and name HG2 )) 3.700 1.700 1.700 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.54232E-04 ppm1 7.612 ppm2 1.425 CV 1 OR { 1503} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 59 and name HG1 )) ASSI { 1504} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 63 and name HG12)) 6.000 5.400 0.000 peak 1504 spectrum 1 weight 0.11000E+01 volume 0.42367E-04 ppm1 7.595 ppm2 1.607 CV 1 ASSI { 1505} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 59 and name HA )) 6.000 6.000 0.000 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.57021E-04 ppm1 7.592 ppm2 3.914 CV 1 ASSI { 1506} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 58 and name HB1 )) 6.000 4.600 0.000 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.32410E-04 ppm1 8.808 ppm2 2.657 CV 1 ASSI { 1510} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 58 and name HA )) 3.700 1.700 1.700 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.53951E-04 ppm1 8.789 ppm2 4.625 CV 1 ASSI { 1513} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 133 and name HD1%) 6.000 6.000 0.000 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.21706E-04 ppm1 10.145 ppm2 0.721 CV 1 ASSI { 1514} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 36 and name HB1 )) 4.900 3.000 1.100 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.36820E-03 ppm1 7.958 ppm2 1.468 CV 1 ASSI { 1517} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 94 and name HA )) 6.000 6.000 0.000 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.37571E-04 ppm1 7.953 ppm2 4.666 CV 1 ASSI { 1520} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 57 and name HG2%) 2.500 2.500 3.500 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.53499E-03 ppm1 7.855 ppm2 1.038 CV 1 ASSI { 1522} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 69 and name HA )) 5.200 3.300 0.800 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.10938E-03 ppm1 7.656 ppm2 3.612 CV 1 ASSI { 1523} (( segid "A " and resid 71 and name HN )) ( segid "A " and resid 55 and name HB% ) 5.600 3.900 0.400 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.42104E-03 ppm1 7.646 ppm2 1.330 CV 1 ASSI { 1524} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 71 and name HA )) 4.800 2.800 1.200 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.14960E-03 ppm1 7.666 ppm2 4.393 CV 1 ASSI { 1525} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 68 and name HA )) 3.800 1.800 1.800 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.44769E-03 ppm1 7.649 ppm2 3.961 CV 1 ASSI { 1527} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 70 and name HB% ) 4.300 2.300 1.700 peak 1527 spectrum 1 weight 0.11000E+01 volume 0.24096E-04 ppm1 7.632 ppm2 1.523 CV 1 ASSI { 1528} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 69 and name HN )) 6.000 5.200 0.000 peak 1528 spectrum 1 weight 0.11000E+01 volume 0.34568E-04 ppm1 7.632 ppm2 8.108 CV 1 ASSI { 1530} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 71 and name HB% ) 3.800 1.800 1.800 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.78499E-03 ppm1 7.591 ppm2 1.420 CV 1 ASSI { 1531} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 69 and name HA )) 5.600 4.000 0.400 peak 1531 spectrum 1 weight 0.11000E+01 volume 0.38634E-04 ppm1 7.592 ppm2 3.594 CV 1 ASSI { 1532} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HA )) 3.200 1.300 1.300 peak 1532 spectrum 1 weight 0.11000E+01 volume 0.15025E-02 ppm1 7.589 ppm2 3.835 CV 1 ASSI { 1534} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 74 and name HB1 )) 6.000 6.000 0.000 peak 1534 spectrum 1 weight 0.11000E+01 volume 0.16844E-04 ppm1 7.597 ppm2 3.039 CV 1 ASSI { 1536} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HB )) 6.000 5.500 0.000 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.27448E-04 ppm1 7.389 ppm2 4.038 CV 1 ASSI { 1538} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HG2%) 3.500 1.500 1.500 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.14738E-02 ppm1 7.399 ppm2 0.720 CV 1 ASSI { 1539} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HG1%) 6.000 6.000 0.000 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.31348E-04 ppm1 7.399 ppm2 0.877 CV 1 ASSI { 1541} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 71 and name HA )) 6.000 5.900 0.000 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.27614E-04 ppm1 7.410 ppm2 4.402 CV 1 ASSI { 1542} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 70 and name HA )) 5.200 3.300 0.800 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.90842E-04 ppm1 7.415 ppm2 4.177 CV 1 ASSI { 1543} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 76 and name HB1 )) 6.000 6.000 0.000 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.91605E-05 ppm1 7.399 ppm2 2.748 CV 1 ASSI { 1546} (( segid "A " and resid 17 and name HN )) ( segid "A " and resid 65 and name HE% ) 3.900 3.900 2.100 peak 1546 spectrum 1 weight 0.11000E+01 volume 0.39031E-04 ppm1 7.836 ppm2 6.604 CV 1 ASSI { 1547} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 18 and name HB2 )) 6.000 5.100 0.000 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.87390E-04 ppm1 7.825 ppm2 2.256 CV 1 ASSI { 1548} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 18 and name HG2 )) 6.000 6.000 0.000 peak 1548 spectrum 1 weight 0.11000E+01 volume 0.74264E-04 ppm1 7.836 ppm2 2.550 CV 1 ASSI { 1549} (( segid "A " and resid 129 and name HD21)) (( segid "A " and resid 130 and name HA )) 4.700 2.700 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.85042E-03 ppm1 6.709 ppm2 4.663 CV 1 ASSI { 1554} (( segid "A " and resid 127 and name HE22)) ( segid "A " and resid 140 and name HB% ) 3.800 1.800 1.800 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.50950E-03 ppm1 6.724 ppm2 1.481 CV 1 ASSI { 1555} (( segid "A " and resid 127 and name HE21)) ( segid "A " and resid 140 and name HB% ) 4.400 2.500 1.600 peak 1555 spectrum 1 weight 0.11000E+01 volume 0.67120E-03 ppm1 7.505 ppm2 1.487 CV 1 ASSI { 1556} (( segid "A " and resid 129 and name HD22)) (( segid "A " and resid 130 and name HB2 )) 5.900 5.900 0.100 peak 1556 spectrum 1 weight 0.11000E+01 volume 0.80470E-04 ppm1 7.447 ppm2 2.988 CV 1 ASSI { 1558} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 19 and name HB )) 6.000 6.000 0.000 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.26204E-04 ppm1 8.705 ppm2 1.463 CV 1 ASSI { 1559} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 31 and name HA )) 6.000 5.700 0.000 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.41238E-04 ppm1 8.710 ppm2 4.078 CV 1 ASSI { 1560} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HA )) 6.000 6.000 0.000 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.37853E-04 ppm1 8.694 ppm2 4.223 CV 1 ASSI { 1565} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 122 and name HN )) 4.400 2.400 1.600 peak 1565 spectrum 1 weight 0.11000E+01 volume 0.54070E-03 ppm1 7.874 ppm2 8.276 CV 1 ASSI { 1567} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HG1 )) 2.800 1.000 1.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.34603E-02 ppm1 7.733 ppm2 1.744 CV 1 OR { 1567} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HD2 )) ASSI { 1568} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HG2 )) 4.100 2.100 1.900 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.43529E-03 ppm1 7.728 ppm2 1.568 CV 1 ASSI { 1569} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HG11)) 6.000 6.000 0.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.53469E-04 ppm1 7.731 ppm2 0.695 CV 1 OR { 1569} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 19 and name HD1%) ASSI { 1571} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 15 and name HD1%) 6.000 6.000 0.000 peak 1571 spectrum 1 weight 0.11000E+01 volume 0.61252E-04 ppm1 7.749 ppm2 1.040 CV 1 OR { 1571} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 15 and name HD2%) ASSI { 1572} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 153 and name HB1 )) 3.900 1.900 1.900 peak 1572 spectrum 1 weight 0.11000E+01 volume 0.92934E-03 ppm1 7.661 ppm2 1.733 CV 1 ASSI { 1573} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 153 and name HG2 )) 4.200 2.200 1.800 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.10728E-02 ppm1 7.669 ppm2 1.638 CV 1 ASSI { 1576} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HD2 )) 5.200 3.400 0.800 peak 1576 spectrum 1 weight 0.11000E+01 volume 0.59054E-03 ppm1 7.868 ppm2 1.678 CV 1 ASSI { 1580} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HA )) 6.000 4.500 0.000 peak 1580 spectrum 1 weight 0.11000E+01 volume 0.43362E-04 ppm1 7.927 ppm2 4.414 CV 1 ASSI { 1582} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 127 and name HA )) 4.300 2.300 1.700 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.24461E-04 ppm1 7.731 ppm2 4.335 CV 1 ASSI { 1586} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HD22)) 6.000 6.000 0.000 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.64273E-04 ppm1 7.736 ppm2 7.439 CV 1 ASSI { 1587} (( segid "A " and resid 132 and name HE21)) (( segid "A " and resid 132 and name HG2 )) 3.800 1.800 1.800 peak 1587 spectrum 1 weight 0.11000E+01 volume 0.85954E-03 ppm1 6.317 ppm2 2.020 CV 1 ASSI { 1588} (( segid "A " and resid 132 and name HE21)) (( segid "A " and resid 132 and name HG1 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.11000E+01 volume 0.14552E-02 ppm1 6.316 ppm2 1.892 CV 1 OR { 1588} (( segid "A " and resid 132 and name HE21)) (( segid "A " and resid 132 and name HB2 )) ASSI { 1589} (( segid "A " and resid 132 and name HE21)) (( segid "A " and resid 132 and name HB1 )) 4.700 2.800 1.300 peak 1589 spectrum 1 weight 0.11000E+01 volume 0.31094E-03 ppm1 6.317 ppm2 1.799 CV 1 ASSI { 1590} (( segid "A " and resid 132 and name HE21)) ( segid "A " and resid 100 and name HG2%) 3.500 3.500 2.500 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.85332E-04 ppm1 6.327 ppm2 1.306 CV 1 ASSI { 1591} (( segid "A " and resid 132 and name HE21)) ( segid "A " and resid 98 and name HD% ) 4.900 3.100 1.100 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.53525E-03 ppm1 6.324 ppm2 6.947 CV 1 ASSI { 1593} (( segid "A " and resid 132 and name HE21)) (( segid "A " and resid 98 and name HA )) 6.000 5.600 0.000 peak 1593 spectrum 1 weight 0.11000E+01 volume 0.39762E-04 ppm1 6.316 ppm2 5.156 CV 1 ASSI { 1594} (( segid "A " and resid 132 and name HE21)) ( segid "A " and resid 98 and name HE% ) 6.000 4.600 0.000 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.68378E-03 ppm1 6.333 ppm2 6.055 CV 1 ASSI { 1595} (( segid "A " and resid 132 and name HE22)) (( segid "A " and resid 98 and name HB2 )) 4.600 2.600 1.400 peak 1595 spectrum 1 weight 0.11000E+01 volume 0.31553E-03 ppm1 5.799 ppm2 2.566 CV 1 ASSI { 1598} (( segid "A " and resid 132 and name HE22)) (( segid "A " and resid 132 and name HG1 )) 3.600 1.600 1.600 peak 1598 spectrum 1 weight 0.11000E+01 volume 0.14986E-02 ppm1 5.799 ppm2 1.899 CV 1 OR { 1598} (( segid "A " and resid 132 and name HE22)) (( segid "A " and resid 132 and name HB2 )) ASSI { 1599} (( segid "A " and resid 132 and name HE22)) (( segid "A " and resid 132 and name HB1 )) 4.500 2.600 1.500 peak 1599 spectrum 1 weight 0.11000E+01 volume 0.72396E-03 ppm1 5.800 ppm2 1.808 CV 1 ASSI { 1600} (( segid "A " and resid 105 and name HE21)) (( segid "A " and resid 105 and name HG2 )) 3.100 1.200 1.200 peak 1600 spectrum 1 weight 0.11000E+01 volume 0.99671E-03 ppm1 6.773 ppm2 2.513 CV 1 ASSI { 1601} (( segid "A " and resid 105 and name HE21)) (( segid "A " and resid 105 and name HG1 )) 2.800 1.000 1.000 peak 1601 spectrum 1 weight 0.11000E+01 volume 0.17080E-02 ppm1 6.775 ppm2 2.306 CV 1 OR { 1601} (( segid "A " and resid 105 and name HE21)) (( segid "A " and resid 105 and name HB1 )) ASSI { 1602} (( segid "A " and resid 105 and name HE21)) ( segid "A " and resid 118 and name HG2%) 2.800 1.000 1.000 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.13822E-02 ppm1 6.770 ppm2 0.924 CV 1 ASSI { 1607} (( segid "A " and resid 105 and name HE22)) ( segid "A " and resid 118 and name HG2%) 3.600 1.700 1.700 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.18177E-02 ppm1 7.477 ppm2 0.960 CV 1 ASSI { 1609} (( segid "A " and resid 105 and name HE22)) (( segid "A " and resid 122 and name HG12)) 5.600 3.900 0.400 peak 1609 spectrum 1 weight 0.11000E+01 volume 0.75375E-04 ppm1 7.476 ppm2 1.626 CV 1 ASSI { 1610} (( segid "A " and resid 105 and name HE22)) (( segid "A " and resid 105 and name HG1 )) 3.700 1.700 1.700 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.16768E-02 ppm1 7.479 ppm2 2.300 CV 1 ASSI { 1611} (( segid "A " and resid 105 and name HE22)) (( segid "A " and resid 105 and name HG2 )) 3.700 1.700 1.700 peak 1611 spectrum 1 weight 0.11000E+01 volume 0.19415E-02 ppm1 7.482 ppm2 2.515 CV 1 ASSI { 1612} (( segid "A " and resid 105 and name HE21)) (( segid "A " and resid 118 and name HN )) 6.000 6.000 0.000 peak 1612 spectrum 1 weight 0.11000E+01 volume 0.72289E-04 ppm1 6.791 ppm2 8.114 CV 1 ASSI { 1614} (( segid "A " and resid 127 and name HE22)) (( segid "A " and resid 127 and name HG1 )) 6.000 4.900 0.000 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.96799E-04 ppm1 6.721 ppm2 2.473 CV 1 ASSI { 1616} (( segid "A " and resid 132 and name HE22)) ( segid "A " and resid 98 and name HE% ) 5.300 5.300 0.700 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.40642E-03 ppm1 5.799 ppm2 6.815 CV 1 ASSI { 1617} (( segid "A " and resid 132 and name HE22)) ( segid "A " and resid 98 and name HD% ) 4.000 2.000 2.000 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.16968E-03 ppm1 5.807 ppm2 6.927 CV 1 ASSI { 1621} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 105 and name HE21)) 3.500 3.500 2.500 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.74811E-04 ppm1 7.739 ppm2 6.821 CV 1 ASSI { 1627} (( segid "A " and resid 125 and name HN )) ( segid "A " and resid 121 and name HE% ) 5.500 3.800 0.500 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.13912E-03 ppm1 7.565 ppm2 1.951 CV 1 ASSI { 1628} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 119 and name HN )) 2.900 1.000 1.000 peak 1628 spectrum 1 weight 0.11000E+01 volume 0.20680E-02 ppm1 8.163 ppm2 8.408 CV 1 ASSI { 1629} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 123 and name HE2 )) 6.000 6.000 0.000 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.35398E-04 ppm1 8.174 ppm2 2.989 CV 1 ASSI { 1633} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 131 and name HN )) 6.000 6.000 0.000 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.46417E-04 ppm1 8.159 ppm2 10.222 CV 1 ASSI { 1635} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HE21)) 6.000 5.900 0.000 peak 1635 spectrum 1 weight 0.11000E+01 volume 0.31464E-04 ppm1 8.162 ppm2 7.503 CV 1 ASSI { 1646} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 129 and name HD21)) 6.000 4.600 0.000 peak 1646 spectrum 1 weight 0.11000E+01 volume 0.60456E-04 ppm1 8.013 ppm2 6.729 CV 1 ASSI { 1647} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 133 and name HG12)) 4.200 2.200 1.800 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.62245E-03 ppm1 8.012 ppm2 1.417 CV 1 ASSI { 1651} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 6.000 0.000 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.46682E-04 ppm1 8.628 ppm2 7.346 CV 1 ASSI { 1652} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 6.000 0.000 peak 1652 spectrum 1 weight 0.11000E+01 volume 0.44989E-04 ppm1 8.630 ppm2 7.272 CV 1 OR { 1652} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 29 and name HE% ) ASSI { 1654} (( segid "A " and resid 129 and name HD21)) (( segid "A " and resid 132 and name HB2 )) 6.000 6.000 0.000 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.41322E-04 ppm1 6.690 ppm2 1.841 CV 1 ASSI { 1659} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 14 and name HA )) 4.000 2.000 2.000 peak 1659 spectrum 1 weight 0.11000E+01 volume 0.48325E-03 ppm1 7.838 ppm2 4.125 CV 1 ASSI { 1661} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HG2 )) 2.900 1.100 1.100 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.71160E-03 ppm1 7.843 ppm2 1.577 CV 1 ASSI { 1662} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 14 and name HG2 )) 6.000 6.000 0.000 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.85580E-04 ppm1 7.823 ppm2 2.364 CV 1 ASSI { 1670} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HA )) 6.000 4.600 0.000 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.25490E-04 ppm1 8.065 ppm2 3.807 CV 1 ASSI { 1673} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 21 and name HA )) 3.000 1.100 1.100 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.34000E-02 ppm1 7.765 ppm2 3.984 CV 1 ASSI { 1675} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 133 and name HA )) 6.000 5.600 0.000 peak 1675 spectrum 1 weight 0.11000E+01 volume 0.50282E-04 ppm1 8.159 ppm2 5.278 CV 1 ASSI { 1676} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 20 and name HA )) 6.000 6.000 0.000 peak 1676 spectrum 1 weight 0.11000E+01 volume 0.40077E-04 ppm1 8.623 ppm2 4.539 CV 1 ASSI { 1677} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 26 and name HB )) 6.000 6.000 0.000 peak 1677 spectrum 1 weight 0.11000E+01 volume 0.18122E-04 ppm1 8.623 ppm2 3.862 CV 1 ASSI { 1678} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 59 and name HG2 )) 5.800 4.200 0.200 peak 1678 spectrum 1 weight 0.11000E+01 volume 0.37489E-04 ppm1 10.770 ppm2 1.361 CV 1 ASSI { 1679} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 26 and name HG2%) 6.000 5.900 0.000 peak 1679 spectrum 1 weight 0.11000E+01 volume 0.69500E-04 ppm1 11.032 ppm2 1.205 CV 1 ASSI { 1680} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 20 and name HB1 )) 6.000 5.900 0.000 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.37223E-04 ppm1 11.038 ppm2 1.451 CV 1 ASSI { 1681} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 26 and name HB )) 6.000 6.000 0.000 peak 1681 spectrum 1 weight 0.11000E+01 volume 0.21574E-04 ppm1 11.049 ppm2 3.807 CV 1 ASSI { 1685} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 129 and name HD21)) 6.000 6.000 0.000 peak 1685 spectrum 1 weight 0.11000E+01 volume 0.25656E-04 ppm1 10.216 ppm2 6.706 CV 1 ASSI { 1687} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 134 and name HN )) 6.000 6.000 0.000 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.35032E-04 ppm1 8.011 ppm2 9.364 CV 1 ASSI { 1692} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HD2 )) 6.000 4.500 0.000 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.35266E-03 ppm1 7.958 ppm2 1.644 CV 1 ASSI { 1694} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HA )) 4.800 2.900 1.200 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.32095E-04 ppm1 7.978 ppm2 4.744 CV 1 ASSI { 1695} (( segid "A " and resid 93 and name HN )) ( segid "A " and resid 90 and name HD% ) 6.000 6.000 0.000 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.40907E-04 ppm1 7.986 ppm2 6.465 CV 1 ASSI { 1699} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.28095E-04 ppm1 8.046 ppm2 2.398 CV 1 ASSI { 1702} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 15 and name HB1 )) 4.800 2.900 1.200 peak 1702 spectrum 1 weight 0.11000E+01 volume 0.42903E-03 ppm1 7.841 ppm2 1.843 CV 1 ASSI { 1707} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 97 and name HA1 )) 6.000 6.000 0.000 peak 1707 spectrum 1 weight 0.11000E+01 volume 0.40044E-04 ppm1 7.934 ppm2 3.448 CV 1 ASSI { 1708} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 15 and name HA )) 2.900 1.100 1.100 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.32142E-02 ppm1 7.727 ppm2 4.215 CV 1 ASSI { 1720} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 87 and name HN )) 6.000 5.400 0.000 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.35132E-04 ppm1 8.520 ppm2 8.067 CV 1 ASSI { 1722} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 89 and name HB2 )) 6.000 6.000 0.000 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.46864E-04 ppm1 8.637 ppm2 4.094 CV 1 OR { 1722} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 89 and name HB1 )) OR { 1722} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 89 and name HA )) ASSI { 1723} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 138 and name HB2 )) 6.000 5.200 0.000 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.97313E-04 ppm1 8.630 ppm2 3.342 CV 1 ASSI { 1724} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 92 and name HB1 )) 5.300 5.300 0.700 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.47430E-03 ppm1 8.640 ppm2 2.314 CV 1 ASSI { 1725} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 84 and name HB1 )) 2.700 2.700 3.300 peak 1725 spectrum 1 weight 0.11000E+01 volume 0.34288E-03 ppm1 8.637 ppm2 2.026 CV 1 ASSI { 1730} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 91 and name HD% ) 6.000 6.000 0.000 peak 1730 spectrum 1 weight 0.11000E+01 volume 0.27532E-04 ppm1 8.048 ppm2 7.226 CV 1 ASSI { 1733} (( segid "A " and resid 174 and name HN )) (( segid "A " and resid 176 and name HN )) 6.000 6.000 0.000 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.18385E-03 ppm1 8.042 ppm2 8.290 CV 1 ASSI { 1734} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 85 and name HG2%) 4.300 4.300 1.700 peak 1734 spectrum 1 weight 0.11000E+01 volume 0.11190E-02 ppm1 8.059 ppm2 1.018 CV 1 ASSI { 1738} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 87 and name HN )) 6.000 6.000 0.000 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.38518E-04 ppm1 7.043 ppm2 8.085 CV 1 ASSI { 1739} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 93 and name HE2 )) 5.800 4.300 0.200 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.75657E-04 ppm1 7.041 ppm2 2.888 CV 1 ASSI { 1744} (( segid "A " and resid 90 and name HN )) ( segid "A " and resid 91 and name HE% ) 6.000 6.000 0.000 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.50499E-04 ppm1 7.521 ppm2 6.596 CV 1 ASSI { 1747} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 51 and name HD1%) 4.300 4.300 1.700 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.12313E-02 ppm1 7.774 ppm2 0.819 CV 1 OR { 1747} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 51 and name HD2%) ASSI { 1750} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 59 and name HA )) 5.100 3.200 0.900 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.50784E-03 ppm1 8.363 ppm2 3.872 CV 1 ASSI { 1755} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 23 and name HB2 )) 5.900 4.400 0.100 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.45802E-04 ppm1 7.553 ppm2 3.075 CV 1 ASSI { 1759} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HB2 )) 6.000 6.000 0.000 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.61982E-04 ppm1 7.553 ppm2 3.366 CV 1 ASSI { 1763} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HB1 )) 4.600 2.600 1.400 peak 1763 spectrum 1 weight 0.11000E+01 volume 0.89422E-03 ppm1 7.537 ppm2 1.395 CV 1 ASSI { 1764} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 28 and name HB )) 6.000 6.000 0.000 peak 1764 spectrum 1 weight 0.11000E+01 volume 0.32941E-04 ppm1 7.531 ppm2 4.644 CV 1 ASSI { 1766} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HG )) 4.900 3.000 1.100 peak 1766 spectrum 1 weight 0.11000E+01 volume 0.27018E-03 ppm1 8.344 ppm2 1.609 CV 1 ASSI { 1772} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 94 and name HA )) 6.000 6.000 0.000 peak 1772 spectrum 1 weight 0.11000E+01 volume 0.20661E-04 ppm1 7.945 ppm2 4.572 CV 1 ASSI { 1773} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 90 and name HN )) 5.400 3.700 0.600 peak 1773 spectrum 1 weight 0.11000E+01 volume 0.89480E-04 ppm1 7.939 ppm2 7.473 CV 1 ASSI { 1777} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HB1 )) 2.900 1.000 1.000 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.41537E-02 ppm1 7.774 ppm2 2.756 CV 1 ASSI { 1780} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 90 and name HD% ) 3.700 3.700 2.300 peak 1780 spectrum 1 weight 0.11000E+01 volume 0.59958E-04 ppm1 7.788 ppm2 6.438 CV 1 ASSI { 1781} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 29 and name HE% ) 6.000 6.000 0.000 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.54432E-04 ppm1 8.344 ppm2 7.202 CV 1 OR { 1781} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HZ )) ASSI { 1787} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 96 and name HA )) 6.000 6.000 0.000 peak 1787 spectrum 1 weight 0.11000E+01 volume 0.24727E-04 ppm1 7.928 ppm2 4.258 CV 1 OR { 1787} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 96 and name HB1 )) ASSI { 1788} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 92 and name HB2 )) 6.000 6.000 0.000 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.58746E-04 ppm1 7.949 ppm2 1.338 CV 1 ASSI { 1789} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 140 and name HB% ) 6.000 6.000 0.000 peak 1789 spectrum 1 weight 0.11000E+01 volume 0.48624E-04 ppm1 8.953 ppm2 1.465 CV 1 ASSI { 1790} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 88 and name HN )) 6.000 6.000 0.000 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.90659E-04 ppm1 7.444 ppm2 8.699 CV 1 ASSI { 1791} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 148 and name HB1 )) 3.900 1.900 1.900 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.79326E-03 ppm1 7.819 ppm2 2.799 CV 1 ASSI { 1792} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 147 and name HA1 )) 5.600 4.000 0.400 peak 1792 spectrum 1 weight 0.11000E+01 volume 0.58182E-04 ppm1 7.815 ppm2 4.072 CV 1 ASSI { 1794} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 147 and name HN )) 5.400 3.700 0.600 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.76752E-04 ppm1 7.808 ppm2 8.207 CV 1 ASSI { 1795} (( segid "A " and resid 148 and name HN )) (( segid "A " and resid 151 and name HB )) 5.900 5.900 0.100 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.52043E-04 ppm1 7.818 ppm2 1.847 CV 1 ASSI { 1798} (( segid "A " and resid 148 and name HN )) ( segid "A " and resid 151 and name HD1%) 6.000 6.000 0.000 peak 1798 spectrum 1 weight 0.11000E+01 volume 0.74777E-04 ppm1 7.794 ppm2 0.792 CV 1 ASSI { 1800} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 137 and name HG2 )) 5.700 4.100 0.300 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.47877E-04 ppm1 7.967 ppm2 2.295 CV 1 ASSI { 1801} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 157 and name HB2 )) 6.000 5.200 0.000 peak 1801 spectrum 1 weight 0.11000E+01 volume 0.21757E-04 ppm1 7.965 ppm2 2.128 CV 1 ASSI { 1803} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 137 and name HG1 )) 6.000 4.900 0.000 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.24794E-04 ppm1 7.949 ppm2 2.909 CV 1 ASSI { 1804} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 157 and name HA )) 5.400 3.600 0.600 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.15690E-03 ppm1 7.954 ppm2 4.278 CV 1 ASSI { 1808} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 1808 spectrum 1 weight 0.11000E+01 volume 0.69085E-04 ppm1 8.723 ppm2 6.454 CV 1 ASSI { 1818} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 126 and name HA )) 6.000 6.000 0.000 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.16513E-04 ppm1 8.006 ppm2 4.427 CV 1 ASSI { 1820} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 90 and name HE% ) 4.500 4.500 1.500 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.16894E-04 ppm1 7.784 ppm2 6.089 CV 1 ASSI { 1821} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HN )) 6.000 4.600 0.000 peak 1821 spectrum 1 weight 0.11000E+01 volume 0.50367E-04 ppm1 7.758 ppm2 7.068 CV 1 ASSI { 1823} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 48 and name HG11)) 6.000 6.000 0.000 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.36875E-04 ppm1 7.802 ppm2 0.681 CV 1 ASSI { 1826} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HG12)) 6.000 6.000 0.000 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.27349E-04 ppm1 9.120 ppm2 1.684 CV 1 ASSI { 1830} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.38882E-04 ppm1 9.755 ppm2 6.478 CV 1 ASSI { 1832} (( segid "A " and resid 154 and name HN )) (( segid "A " and resid 137 and name HN )) 3.700 1.700 1.700 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.55245E-04 ppm1 7.966 ppm2 8.628 CV 1 ASSI { 1836} (( segid "A " and resid 154 and name HN )) ( segid "A " and resid 151 and name HG2%) 4.300 2.300 1.700 peak 1836 spectrum 1 weight 0.11000E+01 volume 0.24428E-04 ppm1 7.947 ppm2 0.909 CV 1 ASSI { 1837} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HN )) 6.000 5.300 0.000 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.39430E-04 ppm1 9.664 ppm2 7.595 CV 1 ASSI { 1838} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 64 and name HN )) 5.800 4.300 0.200 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.10559E-03 ppm1 9.693 ppm2 9.096 CV 1 ASSI { 1839} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 111 and name HB1 )) 6.000 6.000 0.000 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.60489E-04 ppm1 8.663 ppm2 3.280 CV 1 ASSI { 1842} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 113 and name HA )) 4.500 2.600 1.500 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.63260E-04 ppm1 8.652 ppm2 4.480 CV 1 ASSI { 1843} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 105 and name HE21)) 6.000 6.000 0.000 peak 1843 spectrum 1 weight 0.11000E+01 volume 0.62381E-04 ppm1 8.618 ppm2 6.809 CV 1 ASSI { 1845} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 27 and name HA )) 6.000 5.000 0.000 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.77615E-04 ppm1 8.591 ppm2 5.009 CV 1 ASSI { 1847} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 33 and name HE1 )) 6.000 6.000 0.000 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.27298E-04 ppm1 9.270 ppm2 2.612 CV 1 ASSI { 1849} (( segid "A " and resid 155 and name HN )) (( segid "A " and resid 154 and name HB2 )) 5.200 5.200 0.800 peak 1849 spectrum 1 weight 0.11000E+01 volume 0.30757E-03 ppm1 7.735 ppm2 1.952 CV 1 ASSI { 1854} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 98 and name HD% ) 6.000 6.000 0.000 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.31846E-04 ppm1 8.658 ppm2 6.907 CV 1 OR { 1854} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 98 and name HE% ) ASSI { 1857} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 122 and name HA )) 6.000 6.000 0.000 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.17325E-04 ppm1 7.509 ppm2 3.563 CV 1 ASSI { 1861} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 68 and name HZ )) 6.000 5.800 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.71126E-04 ppm1 7.883 ppm2 7.227 CV 1 ASSI { 1862} (( segid "A " and resid 17 and name HN )) ( segid "A " and resid 16 and name HD% ) 4.700 2.800 1.300 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.14847E-03 ppm1 7.874 ppm2 6.505 CV 1 ASSI { 1865} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 52 and name HB1 )) 5.400 3.600 0.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.95338E-04 ppm1 10.761 ppm2 2.013 CV 1 OR { 1865} (( segid "A " and resid 61 and name HN )) ( segid "A " and resid 52 and name HE% ) ASSI { 1873} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 62 and name HB )) 6.000 6.000 0.000 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.26901E-04 ppm1 10.778 ppm2 3.808 CV 1 ASSI { 1879} (( segid "A " and resid 155 and name HN )) (( segid "A " and resid 154 and name HD2 )) 6.000 6.000 0.000 peak 1879 spectrum 1 weight 0.11000E+01 volume 0.20063E-04 ppm1 7.733 ppm2 3.217 CV 1 ASSI { 1881} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 132 and name HE21)) 3.400 3.400 2.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.10252E-03 ppm1 8.541 ppm2 6.342 CV 1 ASSI { 1882} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 135 and name HD% ) 6.000 6.000 0.000 peak 1882 spectrum 1 weight 0.11000E+01 volume 0.34236E-04 ppm1 8.535 ppm2 6.442 CV 1 ASSI { 1890} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 133 and name HG11)) 3.500 1.600 1.600 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.74594E-04 ppm1 9.392 ppm2 1.021 CV 1 ASSI { 1891} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 138 and name HB2 )) 6.000 6.000 0.000 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.17674E-04 ppm1 9.414 ppm2 3.329 CV 1 ASSI { 1896} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 96 and name HN )) 6.000 5.400 0.000 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.78213E-04 ppm1 7.653 ppm2 8.561 CV 1 ASSI { 1899} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 135 and name HB2 )) 6.000 6.000 0.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.22967E-04 ppm1 7.610 ppm2 2.469 CV 1 ASSI { 1906} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 1906 spectrum 1 weight 0.11000E+01 volume 0.35547E-04 ppm1 8.504 ppm2 2.448 CV 1 ASSI { 1908} (( segid "A " and resid 89 and name HN )) ( segid "A " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 1908 spectrum 1 weight 0.11000E+01 volume 0.39231E-04 ppm1 8.490 ppm2 0.969 CV 1 ASSI { 3} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 30 and name HN )) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.11000E+01 volume 0.47827E-02 ppm1 4.093 ppm2 8.378 CV 1 ASSI { 4} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 31 and name HN )) 4.100 2.100 1.900 peak 4 spectrum 1 weight 0.11000E+01 volume 0.49695E-03 ppm1 4.090 ppm2 7.515 CV 1 ASSI { 5} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 29 and name HD% ) 4.200 2.200 1.800 peak 5 spectrum 1 weight 0.11000E+01 volume 0.46735E-03 ppm1 4.087 ppm2 7.296 CV 1 OR { 5} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 29 and name HE% ) ASSI { 10} (( segid "A " and resid 116 and name HG11)) (( segid "A " and resid 116 and name HN )) 4.000 2.000 2.000 peak 10 spectrum 1 weight 0.11000E+01 volume 0.51287E-03 ppm1 1.173 ppm2 7.858 CV 1 ASSI { 13} (( segid "A " and resid 119 and name HA )) (( segid "A " and resid 122 and name HN )) 3.600 1.700 1.700 peak 13 spectrum 1 weight 0.11000E+01 volume 0.10168E-02 ppm1 4.305 ppm2 8.268 CV 1 ASSI { 18} (( segid "A " and resid 36 and name HG )) (( segid "A " and resid 36 and name HN )) 3.500 1.500 1.500 peak 18 spectrum 1 weight 0.11000E+01 volume 0.25156E-02 ppm1 1.875 ppm2 8.397 CV 1 ASSI { 23} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 36 and name HN )) 3.000 1.100 1.100 peak 23 spectrum 1 weight 0.11000E+01 volume 0.19184E-02 ppm1 4.206 ppm2 8.399 CV 1 ASSI { 25} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 41 and name HN )) 5.400 3.600 0.600 peak 25 spectrum 1 weight 0.11000E+01 volume 0.11662E-03 ppm1 4.182 ppm2 7.950 CV 1 ASSI { 26} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HN )) 5.300 5.300 0.700 peak 26 spectrum 1 weight 0.11000E+01 volume 0.14218E-03 ppm1 4.160 ppm2 8.271 CV 1 ASSI { 27} (( segid "A " and resid 15 and name HG )) ( segid "A " and resid 68 and name HD% ) 5.500 3.800 0.500 peak 27 spectrum 1 weight 0.11000E+01 volume 0.41579E-03 ppm1 1.786 ppm2 7.037 CV 1 ASSI { 30} (( segid "A " and resid 51 and name HG )) (( segid "A " and resid 51 and name HN )) 5.000 3.100 1.000 peak 30 spectrum 1 weight 0.11000E+01 volume 0.21456E-03 ppm1 1.606 ppm2 7.785 CV 1 ASSI { 31} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 34 and name HN )) 2.300 0.700 0.700 peak 31 spectrum 1 weight 0.11000E+01 volume 0.72493E-02 ppm1 4.428 ppm2 7.864 CV 1 ASSI { 32} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 35 and name HN )) 3.600 1.700 1.700 peak 32 spectrum 1 weight 0.11000E+01 volume 0.85494E-03 ppm1 4.424 ppm2 8.699 CV 1 ASSI { 33} (( segid "A " and resid 120 and name HA )) (( segid "A " and resid 123 and name HN )) 3.300 1.400 1.400 peak 33 spectrum 1 weight 0.11000E+01 volume 0.10534E-02 ppm1 4.422 ppm2 7.726 CV 1 ASSI { 37} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 127 and name HN )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.11000E+01 volume 0.15940E-02 ppm1 4.325 ppm2 8.629 CV 1 ASSI { 38} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 53 and name HN )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.11000E+01 volume 0.51864E-02 ppm1 4.331 ppm2 8.341 CV 1 ASSI { 39} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 144 and name HN )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.11000E+01 volume 0.25229E-02 ppm1 4.232 ppm2 7.710 CV 1 ASSI { 40} (( segid "A " and resid 69 and name HG12)) (( segid "A " and resid 69 and name HN )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.11000E+01 volume 0.13490E-02 ppm1 1.177 ppm2 8.134 CV 1 ASSI { 42} (( segid "A " and resid 69 and name HG11)) (( segid "A " and resid 69 and name HN )) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.11000E+01 volume 0.23379E-02 ppm1 1.091 ppm2 8.143 CV 1 ASSI { 43} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 102 and name HN )) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.11000E+01 volume 0.17250E-02 ppm1 4.424 ppm2 8.573 CV 1 ASSI { 44} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 105 and name HN )) 4.000 2.000 2.000 peak 44 spectrum 1 weight 0.11000E+01 volume 0.40814E-03 ppm1 4.422 ppm2 8.431 CV 1 ASSI { 46} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HN )) 2.000 0.500 0.500 peak 46 spectrum 1 weight 0.11000E+01 volume 0.13596E-01 ppm1 3.911 ppm2 7.863 CV 1 ASSI { 52} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 41 and name HN )) 2.200 2.200 3.800 peak 52 spectrum 1 weight 0.11000E+01 volume 0.11908E-02 ppm1 4.370 ppm2 7.957 CV 1 ASSI { 53} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 43 and name HN )) 2.600 0.800 0.800 peak 53 spectrum 1 weight 0.11000E+01 volume 0.27422E-02 ppm1 4.386 ppm2 7.822 CV 1 ASSI { 57} (( segid "A " and resid 144 and name HA )) (( segid "A " and resid 144 and name HN )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.11000E+01 volume 0.10393E-02 ppm1 4.212 ppm2 7.701 CV 1 ASSI { 58} (( segid "A " and resid 123 and name HG1 )) (( segid "A " and resid 123 and name HN )) 4.200 2.200 1.800 peak 58 spectrum 1 weight 0.11000E+01 volume 0.97349E-03 ppm1 1.653 ppm2 7.743 CV 1 ASSI { 59} (( segid "A " and resid 123 and name HG2 )) (( segid "A " and resid 123 and name HN )) 3.500 1.600 1.600 peak 59 spectrum 1 weight 0.11000E+01 volume 0.75857E-03 ppm1 1.522 ppm2 7.733 CV 1 ASSI { 62} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 68 and name HZ )) 5.300 3.500 0.700 peak 62 spectrum 1 weight 0.11000E+01 volume 0.13804E-03 ppm1 1.044 ppm2 7.254 CV 1 ASSI { 64} ( segid "A " and resid 15 and name HD2%) ( segid "A " and resid 68 and name HD% ) 4.700 4.700 1.300 peak 64 spectrum 1 weight 0.11000E+01 volume 0.11474E-02 ppm1 1.035 ppm2 7.031 CV 1 ASSI { 65} ( segid "A " and resid 15 and name HD2%) ( segid "A " and resid 68 and name HE% ) 6.000 4.400 0.000 peak 65 spectrum 1 weight 0.11000E+01 volume 0.10208E-03 ppm1 1.040 ppm2 6.947 CV 1 ASSI { 67} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 17 and name HN )) 3.000 1.200 1.200 peak 67 spectrum 1 weight 0.11000E+01 volume 0.20367E-02 ppm1 1.744 ppm2 7.862 CV 1 ASSI { 70} (( segid "A " and resid 49 and name HG1 )) ( segid "A " and resid 29 and name HE% ) 4.600 2.600 1.400 peak 70 spectrum 1 weight 0.11000E+01 volume 0.41772E-03 ppm1 1.315 ppm2 7.255 CV 1 OR { 70} (( segid "A " and resid 49 and name HG1 )) ( segid "A " and resid 29 and name HD% ) ASSI { 71} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HN )) 5.100 3.200 0.900 peak 71 spectrum 1 weight 0.11000E+01 volume 0.49270E-03 ppm1 1.308 ppm2 8.347 CV 1 ASSI { 72} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 130 and name HN )) 3.200 1.200 1.200 peak 72 spectrum 1 weight 0.11000E+01 volume 0.30302E-02 ppm1 4.417 ppm2 8.447 CV 1 ASSI { 73} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 128 and name HN )) 4.500 2.600 1.500 peak 73 spectrum 1 weight 0.11000E+01 volume 0.14118E-02 ppm1 4.416 ppm2 8.162 CV 1 ASSI { 74} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HN )) 2.300 0.700 0.700 peak 74 spectrum 1 weight 0.11000E+01 volume 0.10410E-01 ppm1 4.418 ppm2 7.729 CV 1 ASSI { 77} (( segid "A " and resid 139 and name HA )) (( segid "A " and resid 140 and name HN )) 4.100 2.100 1.900 peak 77 spectrum 1 weight 0.11000E+01 volume 0.56351E-03 ppm1 3.684 ppm2 7.673 CV 1 ASSI { 79} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 140 and name HN )) 2.700 0.900 0.900 peak 79 spectrum 1 weight 0.11000E+01 volume 0.50132E-02 ppm1 4.017 ppm2 7.678 CV 1 ASSI { 80} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 141 and name HN )) 6.000 5.800 0.000 peak 80 spectrum 1 weight 0.11000E+01 volume 0.26515E-04 ppm1 4.014 ppm2 7.504 CV 1 ASSI { 81} (( segid "A " and resid 37 and name HG1 )) (( segid "A " and resid 37 and name HN )) 4.500 2.500 1.500 peak 81 spectrum 1 weight 0.11000E+01 volume 0.56880E-03 ppm1 1.574 ppm2 7.508 CV 1 ASSI { 82} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 24 and name HN )) 3.100 1.200 1.200 peak 82 spectrum 1 weight 0.11000E+01 volume 0.34212E-02 ppm1 4.350 ppm2 8.624 CV 1 ASSI { 83} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 23 and name HN )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.11000E+01 volume 0.13947E-01 ppm1 4.346 ppm2 8.151 CV 1 ASSI { 85} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 93 and name HN )) 4.900 3.000 1.100 peak 85 spectrum 1 weight 0.11000E+01 volume 0.53325E-03 ppm1 1.467 ppm2 7.966 CV 1 ASSI { 86} (( segid "A " and resid 93 and name HG2 )) (( segid "A " and resid 93 and name HN )) 5.400 3.600 0.600 peak 86 spectrum 1 weight 0.11000E+01 volume 0.66257E-03 ppm1 1.402 ppm2 7.970 CV 1 ASSI { 89} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 127 and name HN )) 2.100 0.600 0.600 peak 89 spectrum 1 weight 0.11000E+01 volume 0.69672E-02 ppm1 4.422 ppm2 8.632 CV 1 ASSI { 92} (( segid "A " and resid 107 and name HA )) (( segid "A " and resid 107 and name HN )) 3.200 1.200 1.200 peak 92 spectrum 1 weight 0.11000E+01 volume 0.21522E-02 ppm1 4.231 ppm2 7.921 CV 1 ASSI { 93} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 70 and name HN )) 3.500 1.600 1.600 peak 93 spectrum 1 weight 0.11000E+01 volume 0.94143E-03 ppm1 4.187 ppm2 7.408 CV 1 ASSI { 100} ( segid "A " and resid 26 and name HG2%) (( segid "A " and resid 64 and name HA )) 3.300 3.300 2.700 peak 100 spectrum 1 weight 0.11000E+01 volume 0.24091E-02 ppm1 1.178 ppm2 5.299 CV 1 ASSI { 103} ( segid "A " and resid 21 and name HG2%) (( segid "A " and resid 21 and name HN )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.11000E+01 volume 0.51578E-02 ppm1 1.279 ppm2 8.065 CV 1 ASSI { 106} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 28 and name HN )) 4.900 3.000 1.100 peak 106 spectrum 1 weight 0.11000E+01 volume 0.24936E-03 ppm1 1.091 ppm2 8.714 CV 1 ASSI { 108} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 86 and name HN )) 3.600 1.600 1.600 peak 108 spectrum 1 weight 0.11000E+01 volume 0.16871E-02 ppm1 0.996 ppm2 8.342 CV 1 ASSI { 111} ( segid "A " and resid 100 and name HG2%) ( segid "A " and resid 98 and name HD% ) 3.900 1.900 1.900 peak 111 spectrum 1 weight 0.11000E+01 volume 0.10323E-02 ppm1 1.288 ppm2 6.930 CV 1 ASSI { 112} (( segid "A " and resid 20 and name HA )) (( segid "A " and resid 21 and name HN )) 2.000 0.500 0.500 peak 112 spectrum 1 weight 0.11000E+01 volume 0.10385E-01 ppm1 4.475 ppm2 8.067 CV 1 ASSI { 113} (( segid "A " and resid 20 and name HA )) (( segid "A " and resid 20 and name HN )) 2.600 0.900 0.900 peak 113 spectrum 1 weight 0.11000E+01 volume 0.26417E-02 ppm1 4.472 ppm2 7.865 CV 1 ASSI { 115} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 27 and name HA )) 5.500 3.700 0.500 peak 115 spectrum 1 weight 0.11000E+01 volume 0.21879E-03 ppm1 1.279 ppm2 5.011 CV 1 ASSI { 119} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 28 and name HN )) 2.600 0.900 0.900 peak 119 spectrum 1 weight 0.11000E+01 volume 0.44085E-02 ppm1 1.273 ppm2 8.734 CV 1 ASSI { 124} ( segid "A " and resid 107 and name HB% ) ( segid "A " and resid 91 and name HE% ) 4.300 2.300 1.700 peak 124 spectrum 1 weight 0.11000E+01 volume 0.40725E-03 ppm1 1.440 ppm2 6.569 CV 1 ASSI { 127} ( segid "A " and resid 55 and name HB% ) (( segid "A " and resid 54 and name HN )) 5.200 3.300 0.800 peak 127 spectrum 1 weight 0.11000E+01 volume 0.44668E-03 ppm1 1.354 ppm2 7.774 CV 1 ASSI { 128} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 36 and name HN )) 3.000 3.000 3.000 peak 128 spectrum 1 weight 0.11000E+01 volume 0.20477E-03 ppm1 1.059 ppm2 8.407 CV 1 ASSI { 136} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 74 and name HN )) 3.600 3.600 2.400 peak 136 spectrum 1 weight 0.11000E+01 volume 0.24438E-02 ppm1 1.527 ppm2 7.760 CV 1 ASSI { 138} ( segid "A " and resid 71 and name HB% ) (( segid "A " and resid 74 and name HN )) 3.400 3.400 2.600 peak 138 spectrum 1 weight 0.11000E+01 volume 0.48454E-02 ppm1 1.441 ppm2 7.737 CV 1 ASSI { 142} ( segid "A " and resid 54 and name HB% ) (( segid "A " and resid 54 and name HN )) 2.600 0.900 0.900 peak 142 spectrum 1 weight 0.11000E+01 volume 0.51022E-02 ppm1 1.329 ppm2 7.809 CV 1 ASSI { 143} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 68 and name HN )) 2.600 0.900 0.900 peak 143 spectrum 1 weight 0.11000E+01 volume 0.30029E-02 ppm1 1.265 ppm2 8.847 CV 1 ASSI { 147} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 63 and name HA )) 2.600 0.800 0.800 peak 147 spectrum 1 weight 0.11000E+01 volume 0.37849E-02 ppm1 1.264 ppm2 5.213 CV 1 ASSI { 150} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 134 and name HN )) 3.200 1.300 1.300 peak 150 spectrum 1 weight 0.11000E+01 volume 0.10218E-02 ppm1 1.208 ppm2 9.409 CV 1 ASSI { 151} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 133 and name HN )) 4.400 2.400 1.600 peak 151 spectrum 1 weight 0.11000E+01 volume 0.49058E-03 ppm1 1.205 ppm2 9.193 CV 1 ASSI { 152} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 138 and name HN )) 2.400 2.400 3.600 peak 152 spectrum 1 weight 0.11000E+01 volume 0.24173E-02 ppm1 1.209 ppm2 8.784 CV 1 ASSI { 153} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 137 and name HN )) 5.500 3.800 0.500 peak 153 spectrum 1 weight 0.11000E+01 volume 0.20291E-03 ppm1 1.208 ppm2 8.633 CV 1 ASSI { 154} ( segid "A " and resid 133 and name HG2%) ( segid "A " and resid 138 and name HD% ) 2.100 0.600 0.600 peak 154 spectrum 1 weight 0.11000E+01 volume 0.39658E-02 ppm1 1.206 ppm2 6.950 CV 1 ASSI { 155} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 133 and name HA )) 2.200 2.200 3.800 peak 155 spectrum 1 weight 0.11000E+01 volume 0.42267E-02 ppm1 1.207 ppm2 5.258 CV 1 ASSI { 156} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 63 and name HN )) 3.000 1.100 1.100 peak 156 spectrum 1 weight 0.11000E+01 volume 0.25384E-02 ppm1 2.034 ppm2 9.673 CV 1 ASSI { 159} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 62 and name HN )) 4.100 2.100 1.900 peak 159 spectrum 1 weight 0.11000E+01 volume 0.37313E-03 ppm1 2.030 ppm2 7.597 CV 1 ASSI { 160} ( segid "A " and resid 52 and name HE% ) ( segid "A " and resid 29 and name HD% ) 4.300 2.300 1.700 peak 160 spectrum 1 weight 0.11000E+01 volume 0.52925E-03 ppm1 2.035 ppm2 7.285 CV 1 ASSI { 161} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 56 and name HN )) 6.000 6.000 0.000 peak 161 spectrum 1 weight 0.11000E+01 volume 0.13872E-03 ppm1 2.028 ppm2 8.042 CV 1 ASSI { 165} ( segid "A " and resid 87 and name HB% ) ( segid "A " and resid 91 and name HD% ) 2.600 2.600 3.400 peak 165 spectrum 1 weight 0.11000E+01 volume 0.52780E-02 ppm1 1.846 ppm2 7.267 CV 1 ASSI { 170} ( segid "A " and resid 140 and name HB% ) (( segid "A " and resid 141 and name HN )) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.11000E+01 volume 0.31351E-02 ppm1 1.475 ppm2 7.485 CV 1 ASSI { 176} ( segid "A " and resid 139 and name HB% ) (( segid "A " and resid 140 and name HN )) 3.200 1.300 1.300 peak 176 spectrum 1 weight 0.11000E+01 volume 0.17985E-02 ppm1 1.160 ppm2 7.642 CV 1 ASSI { 178} (( segid "A " and resid 35 and name HA1 )) (( segid "A " and resid 36 and name HN )) 3.000 1.100 1.100 peak 178 spectrum 1 weight 0.11000E+01 volume 0.97172E-03 ppm1 3.651 ppm2 8.398 CV 1 ASSI { 186} (( segid "A " and resid 95 and name HA2 )) (( segid "A " and resid 96 and name HN )) 3.400 1.500 1.500 peak 186 spectrum 1 weight 0.11000E+01 volume 0.84773E-03 ppm1 3.795 ppm2 8.554 CV 1 ASSI { 188} (( segid "A " and resid 66 and name HA1 )) (( segid "A " and resid 66 and name HN )) 2.200 0.600 0.600 peak 188 spectrum 1 weight 0.11000E+01 volume 0.80856E-02 ppm1 3.586 ppm2 8.258 CV 1 ASSI { 193} (( segid "A " and resid 40 and name HA2 )) (( segid "A " and resid 41 and name HN )) 5.700 4.100 0.300 peak 193 spectrum 1 weight 0.11000E+01 volume 0.15873E-03 ppm1 4.187 ppm2 7.916 CV 1 ASSI { 194} (( segid "A " and resid 40 and name HA2 )) (( segid "A " and resid 40 and name HN )) 3.100 1.200 1.200 peak 194 spectrum 1 weight 0.11000E+01 volume 0.16019E-02 ppm1 4.195 ppm2 7.697 CV 1 ASSI { 201} (( segid "A " and resid 131 and name HA1 )) (( segid "A " and resid 132 and name HN )) 3.400 1.400 1.400 peak 201 spectrum 1 weight 0.11000E+01 volume 0.21659E-02 ppm1 3.452 ppm2 8.012 CV 1 ASSI { 202} (( segid "A " and resid 25 and name HA2 )) (( segid "A " and resid 26 and name HN )) 5.100 3.300 0.900 peak 202 spectrum 1 weight 0.11000E+01 volume 0.11632E-03 ppm1 4.427 ppm2 7.749 CV 1 ASSI { 203} (( segid "A " and resid 25 and name HA2 )) ( segid "A " and resid 16 and name HE% ) 3.600 3.600 2.400 peak 203 spectrum 1 weight 0.11000E+01 volume 0.91262E-03 ppm1 4.419 ppm2 6.966 CV 1 ASSI { 204} (( segid "A " and resid 61 and name HA2 )) (( segid "A " and resid 62 and name HN )) 3.800 1.800 1.800 peak 204 spectrum 1 weight 0.11000E+01 volume 0.82761E-03 ppm1 4.306 ppm2 7.599 CV 1 ASSI { 207} (( segid "A " and resid 25 and name HA1 )) ( segid "A " and resid 16 and name HE% ) 3.400 3.400 2.600 peak 207 spectrum 1 weight 0.11000E+01 volume 0.16642E-02 ppm1 3.702 ppm2 6.968 CV 1 ASSI { 209} (( segid "A " and resid 97 and name HA2 )) (( segid "A " and resid 98 and name HN )) 5.100 3.200 0.900 peak 209 spectrum 1 weight 0.11000E+01 volume 0.21157E-03 ppm1 4.228 ppm2 7.629 CV 1 ASSI { 223} (( segid "A " and resid 98 and name HB2 )) ( segid "A " and resid 98 and name HD% ) 2.800 1.000 1.000 peak 223 spectrum 1 weight 0.11000E+01 volume 0.39632E-02 ppm1 2.588 ppm2 6.933 CV 1 ASSI { 224} (( segid "A " and resid 98 and name HB2 )) ( segid "A " and resid 98 and name HE% ) 3.300 3.300 2.700 peak 224 spectrum 1 weight 0.11000E+01 volume 0.10401E-01 ppm1 2.586 ppm2 6.827 CV 1 ASSI { 228} (( segid "A " and resid 51 and name HB2 )) (( segid "A " and resid 51 and name HN )) 2.800 1.000 1.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.21863E-02 ppm1 1.842 ppm2 7.800 CV 1 ASSI { 234} (( segid "A " and resid 64 and name HB2 )) (( segid "A " and resid 64 and name HN )) 3.700 1.700 1.700 peak 234 spectrum 1 weight 0.11000E+01 volume 0.52291E-03 ppm1 3.361 ppm2 9.110 CV 1 ASSI { 238} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 135 and name HN )) 4.500 2.500 1.500 peak 238 spectrum 1 weight 0.11000E+01 volume 0.25001E-03 ppm1 2.988 ppm2 8.532 CV 1 ASSI { 241} (( segid "A " and resid 64 and name HB1 )) (( segid "A " and resid 65 and name HN )) 3.200 1.300 1.300 peak 241 spectrum 1 weight 0.11000E+01 volume 0.25656E-02 ppm1 2.643 ppm2 8.733 CV 1 ASSI { 242} (( segid "A " and resid 64 and name HB1 )) (( segid "A " and resid 64 and name HA )) 2.400 0.700 0.700 peak 242 spectrum 1 weight 0.11000E+01 volume 0.66310E-02 ppm1 2.647 ppm2 5.299 CV 1 ASSI { 243} (( segid "A " and resid 32 and name HB2 )) (( segid "A " and resid 33 and name HN )) 2.900 1.000 1.000 peak 243 spectrum 1 weight 0.11000E+01 volume 0.34085E-02 ppm1 1.939 ppm2 8.389 CV 1 ASSI { 245} (( segid "A " and resid 101 and name HB2 )) (( segid "A " and resid 101 and name HN )) 2.800 1.000 1.000 peak 245 spectrum 1 weight 0.11000E+01 volume 0.52424E-02 ppm1 1.760 ppm2 9.074 CV 1 ASSI { 246} (( segid "A " and resid 32 and name HB1 )) (( segid "A " and resid 32 and name HN )) 2.500 0.800 0.800 peak 246 spectrum 1 weight 0.11000E+01 volume 0.36546E-02 ppm1 1.413 ppm2 8.618 CV 1 ASSI { 248} (( segid "A " and resid 91 and name HB2 )) ( segid "A " and resid 91 and name HD% ) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.11000E+01 volume 0.17597E-02 ppm1 2.637 ppm2 7.272 CV 1 ASSI { 250} (( segid "A " and resid 91 and name HB1 )) ( segid "A " and resid 91 and name HD% ) 3.900 1.900 1.900 peak 250 spectrum 1 weight 0.11000E+01 volume 0.15971E-03 ppm1 2.598 ppm2 7.250 CV 1 ASSI { 252} (( segid "A " and resid 91 and name HB1 )) (( segid "A " and resid 91 and name HN )) 5.500 3.700 0.500 peak 252 spectrum 1 weight 0.11000E+01 volume 0.15881E-03 ppm1 2.608 ppm2 7.101 CV 1 ASSI { 254} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 34 and name HN )) 2.700 0.900 0.900 peak 254 spectrum 1 weight 0.11000E+01 volume 0.39272E-02 ppm1 2.592 ppm2 7.851 CV 1 ASSI { 255} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 35 and name HN )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.11000E+01 volume 0.13507E-02 ppm1 2.581 ppm2 8.699 CV 1 ASSI { 264} (( segid "A " and resid 53 and name HB1 )) (( segid "A " and resid 53 and name HN )) 2.700 0.900 0.900 peak 264 spectrum 1 weight 0.11000E+01 volume 0.58955E-02 ppm1 2.748 ppm2 8.333 CV 1 ASSI { 266} (( segid "A " and resid 53 and name HB2 )) (( segid "A " and resid 54 and name HN )) 3.200 1.300 1.300 peak 266 spectrum 1 weight 0.11000E+01 volume 0.25622E-02 ppm1 2.634 ppm2 7.781 CV 1 ASSI { 271} (( segid "A " and resid 138 and name HB2 )) ( segid "A " and resid 138 and name HD% ) 3.400 1.500 1.500 peak 271 spectrum 1 weight 0.11000E+01 volume 0.10295E-02 ppm1 3.339 ppm2 6.960 CV 1 ASSI { 272} (( segid "A " and resid 138 and name HB1 )) ( segid "A " and resid 138 and name HD% ) 2.900 1.100 1.100 peak 272 spectrum 1 weight 0.11000E+01 volume 0.12993E-02 ppm1 3.174 ppm2 7.012 CV 1 ASSI { 275} (( segid "A " and resid 102 and name HB2 )) (( segid "A " and resid 102 and name HN )) 3.000 1.200 1.200 peak 275 spectrum 1 weight 0.11000E+01 volume 0.12908E-02 ppm1 2.674 ppm2 8.565 CV 1 ASSI { 278} (( segid "A " and resid 102 and name HB1 )) (( segid "A " and resid 102 and name HN )) 3.600 1.600 1.600 peak 278 spectrum 1 weight 0.11000E+01 volume 0.15022E-02 ppm1 2.621 ppm2 8.563 CV 1 ASSI { 284} (( segid "A " and resid 68 and name HB2 )) ( segid "A " and resid 68 and name HD% ) 2.500 0.800 0.800 peak 284 spectrum 1 weight 0.11000E+01 volume 0.38988E-02 ppm1 3.394 ppm2 7.015 CV 1 ASSI { 285} (( segid "A " and resid 68 and name HB2 )) (( segid "A " and resid 68 and name HN )) 2.300 0.700 0.700 peak 285 spectrum 1 weight 0.11000E+01 volume 0.41170E-02 ppm1 3.394 ppm2 8.845 CV 1 ASSI { 290} (( segid "A " and resid 68 and name HB1 )) ( segid "A " and resid 68 and name HD% ) 2.100 2.100 3.900 peak 290 spectrum 1 weight 0.11000E+01 volume 0.50584E-02 ppm1 3.278 ppm2 7.036 CV 1 ASSI { 295} (( segid "A " and resid 68 and name HB1 )) (( segid "A " and resid 69 and name HN )) 2.800 1.000 1.000 peak 295 spectrum 1 weight 0.11000E+01 volume 0.55174E-03 ppm1 3.278 ppm2 8.131 CV 1 ASSI { 296} (( segid "A " and resid 111 and name HB1 )) ( segid "A " and resid 111 and name HD% ) 3.500 1.500 1.500 peak 296 spectrum 1 weight 0.11000E+01 volume 0.65312E-03 ppm1 3.276 ppm2 7.293 CV 1 ASSI { 297} (( segid "A " and resid 111 and name HB2 )) ( segid "A " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 297 spectrum 1 weight 0.11000E+01 volume 0.30557E-03 ppm1 3.117 ppm2 7.289 CV 1 ASSI { 299} (( segid "A " and resid 36 and name HB2 )) (( segid "A " and resid 36 and name HN )) 2.700 0.900 0.900 peak 299 spectrum 1 weight 0.11000E+01 volume 0.32253E-02 ppm1 1.853 ppm2 8.397 CV 1 ASSI { 307} (( segid "A " and resid 88 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 3.300 1.400 1.400 peak 307 spectrum 1 weight 0.11000E+01 volume 0.95209E-03 ppm1 2.951 ppm2 6.729 CV 1 ASSI { 309} (( segid "A " and resid 22 and name HB1 )) (( segid "A " and resid 22 and name HN )) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.11000E+01 volume 0.16622E-02 ppm1 2.674 ppm2 7.766 CV 1 ASSI { 310} (( segid "A " and resid 128 and name HB2 )) (( segid "A " and resid 128 and name HN )) 4.000 2.000 2.000 peak 310 spectrum 1 weight 0.11000E+01 volume 0.95112E-03 ppm1 2.568 ppm2 8.160 CV 1 ASSI { 311} (( segid "A " and resid 133 and name HB )) (( segid "A " and resid 133 and name HN )) 2.400 0.700 0.700 peak 311 spectrum 1 weight 0.11000E+01 volume 0.27153E-02 ppm1 2.101 ppm2 9.181 CV 1 ASSI { 315} (( segid "A " and resid 63 and name HB )) (( segid "A " and resid 63 and name HN )) 2.300 0.700 0.700 peak 315 spectrum 1 weight 0.11000E+01 volume 0.35753E-02 ppm1 2.039 ppm2 9.666 CV 1 ASSI { 316} (( segid "A " and resid 21 and name HB )) (( segid "A " and resid 21 and name HN )) 3.200 1.300 1.300 peak 316 spectrum 1 weight 0.11000E+01 volume 0.11889E-02 ppm1 4.305 ppm2 8.067 CV 1 ASSI { 317} (( segid "A " and resid 88 and name HB1 )) ( segid "A " and resid 135 and name HD% ) 6.000 6.000 0.000 peak 317 spectrum 1 weight 0.11000E+01 volume 0.78917E-04 ppm1 3.222 ppm2 6.416 CV 1 ASSI { 318} (( segid "A " and resid 16 and name HB1 )) (( segid "A " and resid 16 and name HN )) 2.400 0.700 0.700 peak 318 spectrum 1 weight 0.11000E+01 volume 0.22128E-02 ppm1 3.218 ppm2 8.441 CV 1 ASSI { 319} (( segid "A " and resid 16 and name HB1 )) (( segid "A " and resid 17 and name HN )) 2.400 0.700 0.700 peak 319 spectrum 1 weight 0.11000E+01 volume 0.26741E-02 ppm1 3.217 ppm2 7.859 CV 1 ASSI { 320} (( segid "A " and resid 16 and name HB1 )) (( segid "A " and resid 13 and name HN )) 4.200 2.200 1.800 peak 320 spectrum 1 weight 0.11000E+01 volume 0.76713E-03 ppm1 3.210 ppm2 8.336 CV 1 ASSI { 322} (( segid "A " and resid 16 and name HB2 )) (( segid "A " and resid 13 and name HN )) 4.400 2.400 1.600 peak 322 spectrum 1 weight 0.11000E+01 volume 0.78879E-03 ppm1 2.774 ppm2 8.345 CV 1 ASSI { 327} (( segid "A " and resid 72 and name HB )) (( segid "A " and resid 72 and name HN )) 4.200 2.200 1.800 peak 327 spectrum 1 weight 0.11000E+01 volume 0.46471E-03 ppm1 4.066 ppm2 7.597 CV 1 ASSI { 329} (( segid "A " and resid 29 and name HB2 )) (( segid "A " and resid 30 and name HN )) 4.000 2.000 2.000 peak 329 spectrum 1 weight 0.11000E+01 volume 0.15934E-02 ppm1 3.373 ppm2 8.383 CV 1 ASSI { 331} (( segid "A " and resid 29 and name HB2 )) ( segid "A " and resid 29 and name HD% ) 3.100 1.200 1.200 peak 331 spectrum 1 weight 0.11000E+01 volume 0.17990E-02 ppm1 3.371 ppm2 7.293 CV 1 ASSI { 334} (( segid "A " and resid 29 and name HB1 )) (( segid "A " and resid 29 and name HZ )) 5.100 3.300 0.900 peak 334 spectrum 1 weight 0.11000E+01 volume 0.65935E-03 ppm1 3.068 ppm2 7.202 CV 1 ASSI { 336} (( segid "A " and resid 29 and name HB1 )) ( segid "A " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.11000E+01 volume 0.26265E-02 ppm1 3.061 ppm2 7.303 CV 1 ASSI { 338} (( segid "A " and resid 20 and name HB2 )) (( segid "A " and resid 20 and name HN )) 2.500 2.500 3.500 peak 338 spectrum 1 weight 0.11000E+01 volume 0.65047E-02 ppm1 2.534 ppm2 7.864 CV 1 ASSI { 340} (( segid "A " and resid 92 and name HB1 )) (( segid "A " and resid 92 and name HN )) 2.900 1.000 1.000 peak 340 spectrum 1 weight 0.11000E+01 volume 0.21916E-02 ppm1 2.339 ppm2 7.880 CV 1 ASSI { 341} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 20 and name HN )) 2.300 0.700 0.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.59994E-02 ppm1 1.490 ppm2 7.865 CV 1 ASSI { 342} (( segid "A " and resid 92 and name HB2 )) (( segid "A " and resid 92 and name HN )) 2.700 0.900 0.900 peak 342 spectrum 1 weight 0.11000E+01 volume 0.16353E-02 ppm1 1.404 ppm2 7.871 CV 1 ASSI { 343} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 103 and name HN )) 4.400 2.400 1.600 peak 343 spectrum 1 weight 0.11000E+01 volume 0.88851E-03 ppm1 2.553 ppm2 7.530 CV 1 ASSI { 346} (( segid "A " and resid 9 and name HB )) (( segid "A " and resid 9 and name HN )) 3.800 1.800 1.800 peak 346 spectrum 1 weight 0.11000E+01 volume 0.43286E-03 ppm1 1.963 ppm2 8.131 CV 1 ASSI { 348} (( segid "A " and resid 116 and name HB )) (( segid "A " and resid 116 and name HN )) 2.700 0.900 0.900 peak 348 spectrum 1 weight 0.11000E+01 volume 0.24184E-02 ppm1 1.883 ppm2 7.866 CV 1 ASSI { 352} (( segid "A " and resid 90 and name HB2 )) ( segid "A " and resid 90 and name HD% ) 3.500 1.500 1.500 peak 352 spectrum 1 weight 0.11000E+01 volume 0.10256E-02 ppm1 3.077 ppm2 6.498 CV 1 ASSI { 355} (( segid "A " and resid 90 and name HB1 )) ( segid "A " and resid 90 and name HD% ) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.11000E+01 volume 0.96766E-03 ppm1 2.981 ppm2 6.488 CV 1 ASSI { 359} (( segid "A " and resid 65 and name HB2 )) ( segid "A " and resid 65 and name HD% ) 3.000 1.100 1.100 peak 359 spectrum 1 weight 0.11000E+01 volume 0.28645E-02 ppm1 2.566 ppm2 6.391 CV 1 ASSI { 360} (( segid "A " and resid 135 and name HB2 )) (( segid "A " and resid 136 and name HN )) 4.200 2.200 1.800 peak 360 spectrum 1 weight 0.11000E+01 volume 0.10705E-02 ppm1 2.462 ppm2 8.232 CV 1 ASSI { 361} (( segid "A " and resid 135 and name HB2 )) ( segid "A " and resid 135 and name HD% ) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.11000E+01 volume 0.24914E-02 ppm1 2.455 ppm2 6.443 CV 1 ASSI { 363} (( segid "A " and resid 47 and name HG2 )) (( segid "A " and resid 44 and name HN )) 3.700 1.700 1.700 peak 363 spectrum 1 weight 0.11000E+01 volume 0.10619E-02 ppm1 2.317 ppm2 9.271 CV 1 ASSI { 364} (( segid "A " and resid 47 and name HG2 )) (( segid "A " and resid 47 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.11000E+01 volume 0.51041E-02 ppm1 2.316 ppm2 7.062 CV 1 ASSI { 366} (( segid "A " and resid 65 and name HB1 )) ( segid "A " and resid 65 and name HD% ) 3.000 1.100 1.100 peak 366 spectrum 1 weight 0.11000E+01 volume 0.11165E-02 ppm1 2.288 ppm2 6.342 CV 1 ASSI { 368} (( segid "A " and resid 129 and name HB2 )) (( segid "A " and resid 129 and name HN )) 4.600 2.700 1.400 peak 368 spectrum 1 weight 0.11000E+01 volume 0.52598E-03 ppm1 3.077 ppm2 7.732 CV 1 ASSI { 371} (( segid "A " and resid 104 and name HB )) (( segid "A " and resid 105 and name HN )) 2.100 0.500 0.500 peak 371 spectrum 1 weight 0.11000E+01 volume 0.21529E-02 ppm1 1.969 ppm2 8.422 CV 1 ASSI { 372} (( segid "A " and resid 104 and name HB )) (( segid "A " and resid 104 and name HN )) 2.100 0.500 0.500 peak 372 spectrum 1 weight 0.11000E+01 volume 0.45574E-02 ppm1 1.971 ppm2 7.965 CV 1 ASSI { 373} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 119 and name HN )) 3.400 1.500 1.500 peak 373 spectrum 1 weight 0.11000E+01 volume 0.56665E-03 ppm1 1.926 ppm2 8.434 CV 1 ASSI { 374} (( segid "A " and resid 23 and name HB2 )) (( segid "A " and resid 23 and name HN )) 2.900 1.100 1.100 peak 374 spectrum 1 weight 0.11000E+01 volume 0.13841E-02 ppm1 3.084 ppm2 8.156 CV 1 ASSI { 375} (( segid "A " and resid 23 and name HB1 )) (( segid "A " and resid 23 and name HN )) 3.000 1.100 1.100 peak 375 spectrum 1 weight 0.11000E+01 volume 0.15054E-02 ppm1 2.727 ppm2 8.157 CV 1 ASSI { 378} (( segid "A " and resid 137 and name HG1 )) (( segid "A " and resid 137 and name HN )) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.11000E+01 volume 0.34884E-02 ppm1 2.924 ppm2 8.638 CV 1 ASSI { 383} (( segid "A " and resid 48 and name HB )) (( segid "A " and resid 49 and name HN )) 2.000 0.500 0.500 peak 383 spectrum 1 weight 0.11000E+01 volume 0.50706E-02 ppm1 2.036 ppm2 8.347 CV 1 ASSI { 384} (( segid "A " and resid 48 and name HB )) (( segid "A " and resid 48 and name HN )) 2.000 0.500 0.500 peak 384 spectrum 1 weight 0.11000E+01 volume 0.53054E-02 ppm1 2.037 ppm2 8.158 CV 1 ASSI { 386} (( segid "A " and resid 122 and name HB )) (( segid "A " and resid 123 and name HN )) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.11000E+01 volume 0.17726E-02 ppm1 2.014 ppm2 7.738 CV 1 ASSI { 387} (( segid "A " and resid 67 and name HG1 )) (( segid "A " and resid 57 and name HN )) 5.500 3.800 0.500 peak 387 spectrum 1 weight 0.11000E+01 volume 0.29707E-03 ppm1 2.953 ppm2 8.021 CV 1 ASSI { 388} (( segid "A " and resid 85 and name HA )) ( segid "A " and resid 135 and name HD% ) 4.500 2.600 1.500 peak 388 spectrum 1 weight 0.11000E+01 volume 0.42754E-03 ppm1 3.874 ppm2 6.469 CV 1 ASSI { 390} (( segid "A " and resid 31 and name HG1 )) (( segid "A " and resid 31 and name HN )) 3.300 1.400 1.400 peak 390 spectrum 1 weight 0.11000E+01 volume 0.21365E-02 ppm1 2.492 ppm2 7.522 CV 1 ASSI { 391} (( segid "A " and resid 31 and name HG1 )) (( segid "A " and resid 28 and name HN )) 5.300 3.500 0.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.44021E-03 ppm1 2.485 ppm2 8.731 CV 1 ASSI { 393} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 31 and name HN )) 4.000 2.000 2.000 peak 393 spectrum 1 weight 0.11000E+01 volume 0.12400E-02 ppm1 2.409 ppm2 7.517 CV 1 ASSI { 394} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 69 and name HN )) 2.600 0.900 0.900 peak 394 spectrum 1 weight 0.11000E+01 volume 0.31480E-02 ppm1 1.824 ppm2 8.126 CV 1 ASSI { 395} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 70 and name HN )) 3.000 1.100 1.100 peak 395 spectrum 1 weight 0.11000E+01 volume 0.11943E-02 ppm1 1.823 ppm2 7.413 CV 1 ASSI { 400} (( segid "A " and resid 104 and name HA )) ( segid "A " and resid 91 and name HD% ) 3.200 3.200 2.800 peak 400 spectrum 1 weight 0.11000E+01 volume 0.97325E-03 ppm1 3.796 ppm2 7.277 CV 1 ASSI { 404} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 48 and name HN )) 2.700 0.900 0.900 peak 404 spectrum 1 weight 0.11000E+01 volume 0.20390E-02 ppm1 3.591 ppm2 8.149 CV 1 ASSI { 405} (( segid "A " and resid 60 and name HB1 )) (( segid "A " and resid 60 and name HN )) 3.200 1.300 1.300 peak 405 spectrum 1 weight 0.11000E+01 volume 0.15966E-02 ppm1 4.253 ppm2 8.807 CV 1 ASSI { 407} (( segid "A " and resid 96 and name HB1 )) (( segid "A " and resid 96 and name HN )) 3.700 1.700 1.700 peak 407 spectrum 1 weight 0.11000E+01 volume 0.72006E-03 ppm1 4.288 ppm2 8.554 CV 1 ASSI { 411} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 123 and name HN )) 5.300 3.500 0.700 peak 411 spectrum 1 weight 0.11000E+01 volume 0.78646E-04 ppm1 3.581 ppm2 7.731 CV 1 ASSI { 413} (( segid "A " and resid 24 and name HB1 )) (( segid "A " and resid 24 and name HN )) 3.300 1.400 1.400 peak 413 spectrum 1 weight 0.11000E+01 volume 0.17068E-02 ppm1 4.233 ppm2 8.623 CV 1 ASSI { 414} (( segid "A " and resid 21 and name HA )) (( segid "A " and resid 21 and name HN )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.11000E+01 volume 0.51497E-02 ppm1 3.989 ppm2 8.096 CV 1 ASSI { 421} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 73 and name HN )) 3.200 1.300 1.300 peak 421 spectrum 1 weight 0.11000E+01 volume 0.10363E-02 ppm1 3.849 ppm2 7.387 CV 1 ASSI { 422} (( segid "A " and resid 44 and name HB1 )) (( segid "A " and resid 44 and name HN )) 3.300 1.400 1.400 peak 422 spectrum 1 weight 0.11000E+01 volume 0.18988E-02 ppm1 2.376 ppm2 9.276 CV 1 ASSI { 423} (( segid "A " and resid 44 and name HB1 )) (( segid "A " and resid 47 and name HN )) 6.000 4.700 0.000 peak 423 spectrum 1 weight 0.11000E+01 volume 0.11422E-03 ppm1 2.376 ppm2 7.052 CV 1 ASSI { 425} (( segid "A " and resid 44 and name HB2 )) (( segid "A " and resid 44 and name HN )) 2.900 1.100 1.100 peak 425 spectrum 1 weight 0.11000E+01 volume 0.36429E-02 ppm1 2.089 ppm2 9.277 CV 1 ASSI { 426} (( segid "A " and resid 44 and name HB2 )) (( segid "A " and resid 47 and name HN )) 3.500 1.500 1.500 peak 426 spectrum 1 weight 0.11000E+01 volume 0.82080E-03 ppm1 2.091 ppm2 7.056 CV 1 ASSI { 428} (( segid "A " and resid 127 and name HG2 )) (( segid "A " and resid 127 and name HN )) 4.500 2.500 1.500 peak 428 spectrum 1 weight 0.11000E+01 volume 0.82916E-03 ppm1 2.576 ppm2 8.623 CV 1 ASSI { 430} (( segid "A " and resid 105 and name HG2 )) (( segid "A " and resid 105 and name HN )) 2.600 0.800 0.800 peak 430 spectrum 1 weight 0.11000E+01 volume 0.15736E-02 ppm1 2.510 ppm2 8.425 CV 1 ASSI { 431} (( segid "A " and resid 127 and name HG1 )) (( segid "A " and resid 127 and name HN )) 3.500 1.500 1.500 peak 431 spectrum 1 weight 0.11000E+01 volume 0.78911E-03 ppm1 2.494 ppm2 8.629 CV 1 ASSI { 432} (( segid "A " and resid 127 and name HG1 )) (( segid "A " and resid 127 and name HE21)) 3.400 1.500 1.500 peak 432 spectrum 1 weight 0.11000E+01 volume 0.90525E-03 ppm1 2.500 ppm2 7.486 CV 1 ASSI { 435} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HN )) 2.900 1.100 1.100 peak 435 spectrum 1 weight 0.11000E+01 volume 0.13756E-02 ppm1 3.611 ppm2 8.121 CV 1 ASSI { 436} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 89 and name HN )) 4.100 4.100 1.900 peak 436 spectrum 1 weight 0.11000E+01 volume 0.30073E-03 ppm1 4.107 ppm2 8.507 CV 1 ASSI { 438} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 90 and name HN )) 5.400 3.700 0.600 peak 438 spectrum 1 weight 0.11000E+01 volume 0.19275E-03 ppm1 4.057 ppm2 7.514 CV 1 ASSI { 439} (( segid "A " and resid 89 and name HB1 )) (( segid "A " and resid 89 and name HN )) 3.300 3.300 2.700 peak 439 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 4.022 ppm2 8.357 CV 1 ASSI { 440} (( segid "A " and resid 19 and name HA )) (( segid "A " and resid 20 and name HN )) 4.200 2.200 1.800 peak 440 spectrum 1 weight 0.11000E+01 volume 0.34281E-03 ppm1 3.757 ppm2 7.875 CV 1 ASSI { 441} (( segid "A " and resid 19 and name HA )) (( segid "A " and resid 19 and name HN )) 2.700 0.900 0.900 peak 441 spectrum 1 weight 0.11000E+01 volume 0.22208E-02 ppm1 3.756 ppm2 7.471 CV 1 ASSI { 442} (( segid "A " and resid 135 and name HA )) ( segid "A " and resid 138 and name HD% ) 4.100 4.100 1.900 peak 442 spectrum 1 weight 0.11000E+01 volume 0.84985E-03 ppm1 3.481 ppm2 7.011 CV 1 ASSI { 443} (( segid "A " and resid 18 and name HB2 )) (( segid "A " and resid 18 and name HN )) 2.400 0.700 0.700 peak 443 spectrum 1 weight 0.11000E+01 volume 0.23018E-02 ppm1 2.269 ppm2 7.729 CV 1 ASSI { 444} (( segid "A " and resid 121 and name HB2 )) (( segid "A " and resid 122 and name HN )) 4.400 2.500 1.600 peak 444 spectrum 1 weight 0.11000E+01 volume 0.44792E-03 ppm1 2.234 ppm2 8.250 CV 1 ASSI { 447} (( segid "A " and resid 121 and name HB1 )) (( segid "A " and resid 122 and name HN )) 3.500 1.500 1.500 peak 447 spectrum 1 weight 0.11000E+01 volume 0.36297E-03 ppm1 2.091 ppm2 8.249 CV 1 ASSI { 450} (( segid "A " and resid 132 and name HG1 )) (( segid "A " and resid 132 and name HE21)) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.11000E+01 volume 0.34542E-03 ppm1 1.890 ppm2 6.320 CV 1 ASSI { 451} (( segid "A " and resid 132 and name HG1 )) (( segid "A " and resid 132 and name HN )) 3.500 1.500 1.500 peak 451 spectrum 1 weight 0.11000E+01 volume 0.52119E-03 ppm1 1.899 ppm2 8.006 CV 1 ASSI { 453} (( segid "A " and resid 116 and name HA )) (( segid "A " and resid 116 and name HN )) 3.300 1.400 1.400 peak 453 spectrum 1 weight 0.11000E+01 volume 0.13257E-02 ppm1 4.050 ppm2 7.870 CV 1 ASSI { 454} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 68 and name HN )) 3.500 1.500 1.500 peak 454 spectrum 1 weight 0.11000E+01 volume 0.11314E-02 ppm1 3.630 ppm2 8.854 CV 1 ASSI { 458} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 65 and name HN )) 2.800 1.000 1.000 peak 458 spectrum 1 weight 0.11000E+01 volume 0.18621E-02 ppm1 3.628 ppm2 8.727 CV 1 ASSI { 459} (( segid "A " and resid 65 and name HA )) ( segid "A " and resid 65 and name HD% ) 2.500 2.500 3.500 peak 459 spectrum 1 weight 0.11000E+01 volume 0.31510E-02 ppm1 3.627 ppm2 6.349 CV 1 ASSI { 461} (( segid "A " and resid 135 and name HA )) (( segid "A " and resid 135 and name HN )) 3.300 1.400 1.400 peak 461 spectrum 1 weight 0.11000E+01 volume 0.74889E-03 ppm1 3.474 ppm2 8.532 CV 1 ASSI { 462} (( segid "A " and resid 135 and name HA )) ( segid "A " and resid 135 and name HD% ) 3.500 1.500 1.500 peak 462 spectrum 1 weight 0.11000E+01 volume 0.65247E-03 ppm1 3.473 ppm2 6.440 CV 1 ASSI { 466} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 16 and name HD% ) 2.700 0.900 0.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.21546E-02 ppm1 3.115 ppm2 6.495 CV 1 ASSI { 467} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HN )) 2.900 1.100 1.100 peak 467 spectrum 1 weight 0.11000E+01 volume 0.16674E-02 ppm1 3.101 ppm2 8.428 CV 1 ASSI { 469} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 68 and name HD% ) 4.200 2.200 1.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.38599E-03 ppm1 3.104 ppm2 7.040 CV 1 ASSI { 470} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 65 and name HE% ) 6.000 6.000 0.000 peak 470 spectrum 1 weight 0.11000E+01 volume 0.14888E-03 ppm1 3.106 ppm2 6.595 CV 1 ASSI { 474} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 17 and name HN )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.11000E+01 volume 0.11049E-01 ppm1 1.917 ppm2 7.853 CV 1 ASSI { 476} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 29 and name HN )) 2.700 0.900 0.900 peak 476 spectrum 1 weight 0.11000E+01 volume 0.21715E-02 ppm1 4.389 ppm2 9.414 CV 1 ASSI { 477} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 29 and name HD% ) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.11000E+01 volume 0.33703E-02 ppm1 4.389 ppm2 7.290 CV 1 OR { 477} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 29 and name HE% ) ASSI { 480} (( segid "A " and resid 88 and name HA )) ( segid "A " and resid 88 and name HD% ) 3.100 1.200 1.200 peak 480 spectrum 1 weight 0.11000E+01 volume 0.97523E-03 ppm1 3.234 ppm2 6.692 CV 1 ASSI { 481} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 30 and name HN )) 3.400 1.500 1.500 peak 481 spectrum 1 weight 0.11000E+01 volume 0.12256E-02 ppm1 4.393 ppm2 8.375 CV 1 ASSI { 482} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 29 and name HD% ) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.11000E+01 volume 0.19497E-02 ppm1 4.397 ppm2 7.341 CV 1 ASSI { 483} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 32 and name HN )) 4.300 2.300 1.700 peak 483 spectrum 1 weight 0.11000E+01 volume 0.34886E-03 ppm1 4.389 ppm2 8.613 CV 1 ASSI { 484} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 125 and name HN )) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.11000E+01 volume 0.12858E-02 ppm1 4.107 ppm2 7.538 CV 1 ASSI { 486} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 68 and name HZ )) 4.300 4.300 1.700 peak 486 spectrum 1 weight 0.11000E+01 volume 0.11836E-02 ppm1 3.960 ppm2 7.146 CV 1 ASSI { 487} (( segid "A " and resid 68 and name HA )) ( segid "A " and resid 68 and name HD% ) 2.200 0.600 0.600 peak 487 spectrum 1 weight 0.11000E+01 volume 0.59988E-02 ppm1 3.959 ppm2 7.037 CV 1 ASSI { 488} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 29 and name HZ )) 4.700 2.700 1.300 peak 488 spectrum 1 weight 0.11000E+01 volume 0.25368E-03 ppm1 3.879 ppm2 7.248 CV 1 OR { 488} (( segid "A " and resid 45 and name HA )) ( segid "A " and resid 29 and name HE% ) ASSI { 490} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 48 and name HN )) 3.200 1.300 1.300 peak 490 spectrum 1 weight 0.11000E+01 volume 0.10793E-02 ppm1 3.876 ppm2 8.166 CV 1 ASSI { 491} (( segid "A " and resid 121 and name HG1 )) (( segid "A " and resid 121 and name HN )) 4.900 3.000 1.100 peak 491 spectrum 1 weight 0.11000E+01 volume 0.58256E-03 ppm1 2.622 ppm2 7.914 CV 1 ASSI { 492} (( segid "A " and resid 121 and name HG2 )) (( segid "A " and resid 121 and name HN )) 5.500 5.500 0.500 peak 492 spectrum 1 weight 0.11000E+01 volume 0.24110E-03 ppm1 2.445 ppm2 7.916 CV 1 ASSI { 493} (( segid "A " and resid 141 and name HB2 )) (( segid "A " and resid 141 and name HN )) 4.100 2.100 1.900 peak 493 spectrum 1 weight 0.11000E+01 volume 0.13595E-02 ppm1 2.164 ppm2 7.494 CV 1 ASSI { 494} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HN )) 2.800 1.000 1.000 peak 494 spectrum 1 weight 0.11000E+01 volume 0.37879E-02 ppm1 1.552 ppm2 8.384 CV 1 ASSI { 495} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 34 and name HN )) 3.500 1.600 1.600 peak 495 spectrum 1 weight 0.11000E+01 volume 0.62677E-03 ppm1 1.554 ppm2 7.842 CV 1 ASSI { 496} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HN )) 2.600 0.800 0.800 peak 496 spectrum 1 weight 0.11000E+01 volume 0.40366E-02 ppm1 1.395 ppm2 8.391 CV 1 ASSI { 497} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 34 and name HN )) 4.500 2.500 1.500 peak 497 spectrum 1 weight 0.11000E+01 volume 0.43534E-03 ppm1 1.397 ppm2 7.839 CV 1 ASSI { 500} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 92 and name HN )) 4.300 2.400 1.700 peak 500 spectrum 1 weight 0.11000E+01 volume 0.31776E-03 ppm1 4.022 ppm2 7.873 CV 1 ASSI { 501} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 138 and name HN )) 2.600 0.900 0.900 peak 501 spectrum 1 weight 0.11000E+01 volume 0.23835E-02 ppm1 3.931 ppm2 8.776 CV 1 ASSI { 502} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 138 and name HE% ) 4.800 2.900 1.200 peak 502 spectrum 1 weight 0.11000E+01 volume 0.60678E-03 ppm1 3.926 ppm2 7.058 CV 1 ASSI { 503} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 138 and name HD% ) 3.000 1.100 1.100 peak 503 spectrum 1 weight 0.11000E+01 volume 0.78799E-03 ppm1 3.928 ppm2 6.942 CV 1 ASSI { 505} (( segid "A " and resid 85 and name HB )) (( segid "A " and resid 86 and name HN )) 3.600 1.600 1.600 peak 505 spectrum 1 weight 0.11000E+01 volume 0.12965E-02 ppm1 2.184 ppm2 8.352 CV 1 ASSI { 506} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HN )) 2.100 0.600 0.600 peak 506 spectrum 1 weight 0.11000E+01 volume 0.72480E-02 ppm1 2.031 ppm2 8.353 CV 1 ASSI { 511} (( segid "A " and resid 49 and name HB1 )) ( segid "A " and resid 29 and name HE% ) 4.600 2.600 1.400 peak 511 spectrum 1 weight 0.11000E+01 volume 0.75176E-03 ppm1 1.884 ppm2 7.256 CV 1 ASSI { 512} (( segid "A " and resid 49 and name HB1 )) (( segid "A " and resid 49 and name HN )) 2.100 0.500 0.500 peak 512 spectrum 1 weight 0.11000E+01 volume 0.64304E-02 ppm1 1.882 ppm2 8.352 CV 1 ASSI { 513} (( segid "A " and resid 132 and name HB2 )) (( segid "A " and resid 132 and name HN )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.11000E+01 volume 0.91007E-03 ppm1 1.871 ppm2 8.014 CV 1 ASSI { 514} (( segid "A " and resid 49 and name HB1 )) (( segid "A " and resid 50 and name HN )) 2.300 0.700 0.700 peak 514 spectrum 1 weight 0.11000E+01 volume 0.41909E-02 ppm1 1.874 ppm2 7.721 CV 1 ASSI { 520} (( segid "A " and resid 74 and name HB1 )) (( segid "A " and resid 74 and name HD2 )) 4.400 2.400 1.600 peak 520 spectrum 1 weight 0.11000E+01 volume 0.24215E-03 ppm1 2.988 ppm2 6.930 CV 1 ASSI { 521} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 90 and name HN )) 2.800 0.900 0.900 peak 521 spectrum 1 weight 0.11000E+01 volume 0.31658E-02 ppm1 3.998 ppm2 7.513 CV 1 ASSI { 522} (( segid "A " and resid 90 and name HA )) ( segid "A " and resid 90 and name HD% ) 2.800 1.000 1.000 peak 522 spectrum 1 weight 0.11000E+01 volume 0.25251E-02 ppm1 3.993 ppm2 6.492 CV 1 ASSI { 524} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 48 and name HN )) 2.900 1.100 1.100 peak 524 spectrum 1 weight 0.11000E+01 volume 0.11584E-02 ppm1 2.525 ppm2 8.182 CV 1 ASSI { 527} (( segid "A " and resid 47 and name HB1 )) (( segid "A " and resid 47 and name HN )) 3.700 1.700 1.700 peak 527 spectrum 1 weight 0.11000E+01 volume 0.13752E-02 ppm1 2.091 ppm2 7.062 CV 1 ASSI { 528} (( segid "A " and resid 47 and name HB1 )) (( segid "A " and resid 44 and name HN )) 5.200 3.400 0.800 peak 528 spectrum 1 weight 0.11000E+01 volume 0.15583E-03 ppm1 2.074 ppm2 9.265 CV 1 ASSI { 534} (( segid "A " and resid 67 and name HB1 )) (( segid "A " and resid 67 and name HN )) 3.700 1.700 1.700 peak 534 spectrum 1 weight 0.11000E+01 volume 0.16317E-02 ppm1 2.272 ppm2 8.419 CV 1 ASSI { 536} (( segid "A " and resid 143 and name HB1 )) (( segid "A " and resid 144 and name HN )) 3.200 1.300 1.300 peak 536 spectrum 1 weight 0.11000E+01 volume 0.89343E-03 ppm1 1.918 ppm2 7.698 CV 1 ASSI { 537} (( segid "A " and resid 143 and name HB2 )) (( segid "A " and resid 144 and name HN )) 4.400 2.500 1.600 peak 537 spectrum 1 weight 0.11000E+01 volume 0.59244E-03 ppm1 1.822 ppm2 7.707 CV 1 ASSI { 538} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HN )) 2.600 0.900 0.900 peak 538 spectrum 1 weight 0.11000E+01 volume 0.29880E-02 ppm1 4.292 ppm2 8.628 CV 1 ASSI { 540} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 14 and name HN )) 3.700 1.700 1.700 peak 540 spectrum 1 weight 0.11000E+01 volume 0.37020E-03 ppm1 4.132 ppm2 7.892 CV 1 ASSI { 541} (( segid "A " and resid 13 and name HA )) ( segid "A " and resid 65 and name HE% ) 2.100 2.100 3.900 peak 541 spectrum 1 weight 0.11000E+01 volume 0.31103E-02 ppm1 4.127 ppm2 6.547 CV 1 ASSI { 546} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HN )) 2.600 0.800 0.800 peak 546 spectrum 1 weight 0.11000E+01 volume 0.53328E-02 ppm1 2.057 ppm2 7.866 CV 1 ASSI { 547} (( segid "A " and resid 38 and name HB1 )) (( segid "A " and resid 38 and name HN )) 2.400 0.700 0.700 peak 547 spectrum 1 weight 0.11000E+01 volume 0.37792E-02 ppm1 1.996 ppm2 7.869 CV 1 ASSI { 549} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 60 and name HN )) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.11000E+01 volume 0.32554E-02 ppm1 4.303 ppm2 8.811 CV 1 ASSI { 552} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 49 and name HZ% ) 3.200 3.200 2.800 peak 552 spectrum 1 weight 0.11000E+01 volume 0.70816E-02 ppm1 3.970 ppm2 7.224 CV 1 ASSI { 553} (( segid "A " and resid 127 and name HB2 )) (( segid "A " and resid 127 and name HN )) 2.900 1.100 1.100 peak 553 spectrum 1 weight 0.11000E+01 volume 0.12015E-02 ppm1 2.296 ppm2 8.624 CV 1 ASSI { 559} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 104 and name HN )) 4.000 2.000 2.000 peak 559 spectrum 1 weight 0.11000E+01 volume 0.37570E-03 ppm1 3.876 ppm2 7.954 CV 1 ASSI { 561} (( segid "A " and resid 137 and name HB2 )) (( segid "A " and resid 134 and name HN )) 1.600 0.300 0.600 peak 561 spectrum 1 weight 0.11000E+01 volume 0.14957E-02 ppm1 2.616 ppm2 9.431 CV 1 ASSI { 562} (( segid "A " and resid 137 and name HB2 )) (( segid "A " and resid 137 and name HN )) 2.300 0.600 0.600 peak 562 spectrum 1 weight 0.11000E+01 volume 0.37457E-02 ppm1 2.616 ppm2 8.628 CV 1 ASSI { 564} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 28 and name HN )) 2.200 0.600 0.600 peak 564 spectrum 1 weight 0.11000E+01 volume 0.19471E-02 ppm1 2.364 ppm2 8.739 CV 1 ASSI { 565} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 32 and name HN )) 3.700 1.700 1.700 peak 565 spectrum 1 weight 0.11000E+01 volume 0.56709E-03 ppm1 2.355 ppm2 8.616 CV 1 ASSI { 566} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 31 and name HN )) 2.300 0.700 0.700 peak 566 spectrum 1 weight 0.11000E+01 volume 0.21540E-02 ppm1 2.346 ppm2 7.527 CV 1 ASSI { 567} (( segid "A " and resid 31 and name HB1 )) (( segid "A " and resid 32 and name HN )) 3.800 1.800 1.800 peak 567 spectrum 1 weight 0.11000E+01 volume 0.87435E-03 ppm1 2.145 ppm2 8.610 CV 1 ASSI { 569} (( segid "A " and resid 96 and name HA )) (( segid "A " and resid 96 and name HN )) 2.900 1.100 1.100 peak 569 spectrum 1 weight 0.11000E+01 volume 0.28820E-02 ppm1 4.258 ppm2 8.559 CV 1 ASSI { 572} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HN )) 2.600 0.800 0.800 peak 572 spectrum 1 weight 0.11000E+01 volume 0.31091E-02 ppm1 3.919 ppm2 8.427 CV 1 ASSI { 576} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 48 and name HN )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.43561E-02 ppm1 1.814 ppm2 8.177 CV 1 ASSI { 577} (( segid "A " and resid 33 and name HD2 )) ( segid "A " and resid 29 and name HE% ) 4.200 2.200 1.800 peak 577 spectrum 1 weight 0.11000E+01 volume 0.48115E-03 ppm1 1.547 ppm2 7.236 CV 1 OR { 577} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 29 and name HZ )) ASSI { 578} (( segid "A " and resid 33 and name HD1 )) ( segid "A " and resid 29 and name HE% ) 4.700 4.700 1.300 peak 578 spectrum 1 weight 0.11000E+01 volume 0.97537E-03 ppm1 1.479 ppm2 7.217 CV 1 OR { 578} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 29 and name HZ )) ASSI { 584} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HN )) 2.600 0.800 0.800 peak 584 spectrum 1 weight 0.11000E+01 volume 0.59682E-02 ppm1 4.151 ppm2 7.886 CV 1 ASSI { 587} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 18 and name HN )) 3.900 1.900 1.900 peak 587 spectrum 1 weight 0.11000E+01 volume 0.50464E-03 ppm1 3.966 ppm2 7.727 CV 1 ASSI { 590} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 104 and name HN )) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.11000E+01 volume 0.33268E-03 ppm1 2.586 ppm2 7.958 CV 1 ASSI { 591} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 103 and name HN )) 2.400 0.700 0.700 peak 591 spectrum 1 weight 0.11000E+01 volume 0.20888E-02 ppm1 2.582 ppm2 7.539 CV 1 ASSI { 592} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 100 and name HN )) 3.000 1.100 1.100 peak 592 spectrum 1 weight 0.11000E+01 volume 0.88671E-03 ppm1 2.571 ppm2 8.639 CV 1 ASSI { 593} (( segid "A " and resid 103 and name HB1 )) (( segid "A " and resid 103 and name HN )) 3.500 1.600 1.600 peak 593 spectrum 1 weight 0.11000E+01 volume 0.23527E-02 ppm1 2.515 ppm2 7.530 CV 1 ASSI { 594} (( segid "A " and resid 103 and name HB1 )) (( segid "A " and resid 100 and name HN )) 5.600 3.900 0.400 peak 594 spectrum 1 weight 0.11000E+01 volume 0.24881E-03 ppm1 2.515 ppm2 8.632 CV 1 ASSI { 597} (( segid "A " and resid 104 and name HG12)) (( segid "A " and resid 104 and name HN )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.11000E+01 volume 0.28838E-02 ppm1 1.711 ppm2 7.954 CV 1 ASSI { 606} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 48 and name HN )) 4.700 2.800 1.300 peak 606 spectrum 1 weight 0.11000E+01 volume 0.17668E-03 ppm1 4.281 ppm2 8.157 CV 1 ASSI { 608} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 47 and name HN )) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.11000E+01 volume 0.35588E-02 ppm1 4.281 ppm2 7.062 CV 1 ASSI { 609} (( segid "A " and resid 106 and name HA )) (( segid "A " and resid 106 and name HN )) 2.700 0.900 0.900 peak 609 spectrum 1 weight 0.11000E+01 volume 0.45635E-02 ppm1 4.092 ppm2 7.982 CV 1 ASSI { 610} (( segid "A " and resid 137 and name HA )) (( segid "A " and resid 140 and name HN )) 4.200 2.200 1.800 peak 610 spectrum 1 weight 0.11000E+01 volume 0.19284E-03 ppm1 4.093 ppm2 7.688 CV 1 ASSI { 614} (( segid "A " and resid 105 and name HB1 )) (( segid "A " and resid 106 and name HN )) 4.400 2.400 1.600 peak 614 spectrum 1 weight 0.11000E+01 volume 0.69114E-03 ppm1 2.223 ppm2 7.991 CV 1 ASSI { 615} (( segid "A " and resid 105 and name HB2 )) (( segid "A " and resid 105 and name HN )) 2.600 0.900 0.900 peak 615 spectrum 1 weight 0.11000E+01 volume 0.24292E-02 ppm1 2.121 ppm2 8.428 CV 1 ASSI { 616} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 59 and name HN )) 2.800 1.000 1.000 peak 616 spectrum 1 weight 0.11000E+01 volume 0.13704E-02 ppm1 1.962 ppm2 7.863 CV 1 ASSI { 617} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 67 and name HN )) 2.900 1.000 1.000 peak 617 spectrum 1 weight 0.11000E+01 volume 0.20911E-02 ppm1 4.194 ppm2 8.431 CV 1 ASSI { 621} (( segid "A " and resid 32 and name HA )) (( segid "A " and resid 32 and name HN )) 2.500 0.800 0.800 peak 621 spectrum 1 weight 0.11000E+01 volume 0.33057E-02 ppm1 3.862 ppm2 8.626 CV 1 ASSI { 629} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HN )) 3.100 1.200 1.200 peak 629 spectrum 1 weight 0.11000E+01 volume 0.17845E-02 ppm1 4.048 ppm2 7.497 CV 1 ASSI { 631} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 19 and name HN )) 4.500 2.500 1.500 peak 631 spectrum 1 weight 0.11000E+01 volume 0.24321E-03 ppm1 4.000 ppm2 7.485 CV 1 ASSI { 634} (( segid "A " and resid 38 and name HG1 )) (( segid "A " and resid 38 and name HN )) 4.700 2.800 1.300 peak 634 spectrum 1 weight 0.11000E+01 volume 0.92607E-03 ppm1 1.851 ppm2 7.865 CV 1 ASSI { 637} ( segid "A " and resid 32 and name HD2%) ( segid "A " and resid 29 and name HD% ) 5.400 5.400 0.600 peak 637 spectrum 1 weight 0.11000E+01 volume 0.64843E-03 ppm1 0.901 ppm2 7.260 CV 1 OR { 637} ( segid "A " and resid 32 and name HD2%) ( segid "A " and resid 29 and name HE% ) ASSI { 641} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 32 and name HN )) 5.000 3.100 1.000 peak 641 spectrum 1 weight 0.11000E+01 volume 0.45610E-03 ppm1 0.895 ppm2 8.596 CV 1 ASSI { 642} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 36 and name HN )) 4.700 2.700 1.300 peak 642 spectrum 1 weight 0.11000E+01 volume 0.21966E-03 ppm1 0.792 ppm2 8.387 CV 1 ASSI { 643} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 36 and name HA )) 4.600 2.700 1.400 peak 643 spectrum 1 weight 0.11000E+01 volume 0.22047E-03 ppm1 0.789 ppm2 4.190 CV 1 ASSI { 645} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 41 and name HB1 )) 4.500 2.500 1.500 peak 645 spectrum 1 weight 0.11000E+01 volume 0.52222E-03 ppm1 0.791 ppm2 3.586 CV 1 ASSI { 646} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 43 and name HA )) 4.000 2.000 2.000 peak 646 spectrum 1 weight 0.11000E+01 volume 0.28774E-03 ppm1 0.768 ppm2 4.288 CV 1 ASSI { 648} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 43 and name HN )) 4.600 2.600 1.400 peak 648 spectrum 1 weight 0.11000E+01 volume 0.76592E-03 ppm1 0.768 ppm2 7.825 CV 1 ASSI { 650} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HN )) 5.100 3.200 0.900 peak 650 spectrum 1 weight 0.11000E+01 volume 0.34556E-03 ppm1 0.805 ppm2 7.787 CV 1 ASSI { 652} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 48 and name HA )) 4.500 2.600 1.500 peak 652 spectrum 1 weight 0.11000E+01 volume 0.40321E-03 ppm1 0.807 ppm2 3.584 CV 1 ASSI { 653} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 52 and name HN )) 5.000 3.200 1.000 peak 653 spectrum 1 weight 0.11000E+01 volume 0.41436E-03 ppm1 0.811 ppm2 8.366 CV 1 ASSI { 656} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 101 and name HA )) 4.400 2.400 1.600 peak 656 spectrum 1 weight 0.11000E+01 volume 0.11902E-02 ppm1 0.901 ppm2 3.885 CV 1 ASSI { 658} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HA )) 2.900 1.100 1.100 peak 658 spectrum 1 weight 0.11000E+01 volume 0.46008E-02 ppm1 0.838 ppm2 4.042 CV 1 ASSI { 659} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 48 and name HA )) 4.800 2.900 1.200 peak 659 spectrum 1 weight 0.11000E+01 volume 0.41019E-03 ppm1 0.842 ppm2 3.589 CV 1 ASSI { 660} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HN )) 5.100 3.200 0.900 peak 660 spectrum 1 weight 0.11000E+01 volume 0.47585E-03 ppm1 0.837 ppm2 7.785 CV 1 ASSI { 662} ( segid "A " and resid 101 and name HD2%) (( segid "A " and resid 101 and name HN )) 5.000 3.100 1.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.63427E-04 ppm1 0.899 ppm2 9.104 CV 1 ASSI { 664} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 105 and name HA )) 5.600 4.000 0.400 peak 664 spectrum 1 weight 0.11000E+01 volume 0.11441E-03 ppm1 0.821 ppm2 3.909 CV 1 ASSI { 666} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 48 and name HN )) 5.800 5.800 0.200 peak 666 spectrum 1 weight 0.11000E+01 volume 0.18750E-03 ppm1 0.798 ppm2 8.133 CV 1 ASSI { 667} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 106 and name HA )) 2.600 2.600 3.400 peak 667 spectrum 1 weight 0.11000E+01 volume 0.50758E-03 ppm1 0.884 ppm2 4.097 CV 1 ASSI { 670} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 44 and name HN )) 4.500 2.500 1.500 peak 670 spectrum 1 weight 0.11000E+01 volume 0.18876E-02 ppm1 0.797 ppm2 9.273 CV 1 ASSI { 671} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HN )) 4.900 3.100 1.100 peak 671 spectrum 1 weight 0.11000E+01 volume 0.71309E-03 ppm1 0.796 ppm2 7.831 CV 1 ASSI { 673} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 41 and name HB1 )) 4.800 4.800 1.200 peak 673 spectrum 1 weight 0.11000E+01 volume 0.22932E-03 ppm1 0.797 ppm2 3.598 CV 1 ASSI { 674} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 74 and name HN )) 2.900 2.900 3.100 peak 674 spectrum 1 weight 0.11000E+01 volume 0.22410E-03 ppm1 0.765 ppm2 7.757 CV 1 ASSI { 675} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 75 and name HA )) 3.500 1.500 1.500 peak 675 spectrum 1 weight 0.11000E+01 volume 0.27079E-02 ppm1 0.765 ppm2 4.252 CV 1 ASSI { 679} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 32 and name HN )) 5.300 3.500 0.700 peak 679 spectrum 1 weight 0.11000E+01 volume 0.50857E-03 ppm1 0.899 ppm2 8.612 CV 1 ASSI { 680} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 32 and name HA )) 2.600 0.800 0.800 peak 680 spectrum 1 weight 0.11000E+01 volume 0.82572E-02 ppm1 0.900 ppm2 3.860 CV 1 ASSI { 681} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 33 and name HN )) 5.000 3.200 1.000 peak 681 spectrum 1 weight 0.11000E+01 volume 0.17746E-03 ppm1 0.895 ppm2 8.358 CV 1 ASSI { 682} ( segid "A " and resid 32 and name HD1%) ( segid "A " and resid 29 and name HE% ) 5.700 5.700 0.300 peak 682 spectrum 1 weight 0.11000E+01 volume 0.49503E-03 ppm1 0.900 ppm2 7.217 CV 1 OR { 682} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 29 and name HZ )) ASSI { 684} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 36 and name HA )) 2.800 1.000 1.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.70836E-02 ppm1 0.789 ppm2 4.192 CV 1 ASSI { 685} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 41 and name HB1 )) 5.200 3.400 0.800 peak 685 spectrum 1 weight 0.11000E+01 volume 0.17438E-03 ppm1 0.778 ppm2 3.571 CV 1 ASSI { 689} ( segid "A " and resid 73 and name HG1%) (( segid "A " and resid 73 and name HA )) 3.700 3.700 2.300 peak 689 spectrum 1 weight 0.11000E+01 volume 0.91259E-03 ppm1 0.869 ppm2 3.853 CV 1 ASSI { 690} ( segid "A " and resid 73 and name HG1%) (( segid "A " and resid 74 and name HN )) 3.900 1.900 1.900 peak 690 spectrum 1 weight 0.11000E+01 volume 0.93298E-03 ppm1 0.832 ppm2 7.756 CV 1 ASSI { 692} ( segid "A " and resid 73 and name HG1%) (( segid "A " and resid 77 and name HA )) 3.400 3.400 2.600 peak 692 spectrum 1 weight 0.11000E+01 volume 0.26764E-02 ppm1 0.834 ppm2 4.009 CV 1 ASSI { 698} ( segid "A " and resid 39 and name HG1%) (( segid "A " and resid 40 and name HA1 )) 4.300 4.300 1.700 peak 698 spectrum 1 weight 0.11000E+01 volume 0.14834E-02 ppm1 0.918 ppm2 3.836 CV 1 ASSI { 700} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 72 and name HA )) 3.600 1.600 1.600 peak 700 spectrum 1 weight 0.11000E+01 volume 0.11080E-02 ppm1 0.808 ppm2 3.807 CV 1 ASSI { 702} ( segid "A " and resid 39 and name HG1%) (( segid "A " and resid 38 and name HA )) 6.000 6.000 0.000 peak 702 spectrum 1 weight 0.11000E+01 volume 0.17142E-03 ppm1 0.919 ppm2 4.078 CV 1 ASSI { 704} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 73 and name HN )) 4.600 2.600 1.400 peak 704 spectrum 1 weight 0.11000E+01 volume 0.66161E-03 ppm1 0.771 ppm2 7.392 CV 1 ASSI { 706} ( segid "A " and resid 73 and name HG2%) (( segid "A " and resid 73 and name HA )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.11000E+01 volume 0.29370E-02 ppm1 0.719 ppm2 3.834 CV 1 ASSI { 710} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 19 and name HN )) 4.900 3.000 1.100 peak 710 spectrum 1 weight 0.11000E+01 volume 0.44087E-03 ppm1 0.795 ppm2 7.481 CV 1 ASSI { 712} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 19 and name HA )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.11000E+01 volume 0.50441E-02 ppm1 0.797 ppm2 3.754 CV 1 ASSI { 713} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 35 and name HA1 )) 2.500 0.800 0.800 peak 713 spectrum 1 weight 0.11000E+01 volume 0.18583E-02 ppm1 0.794 ppm2 3.643 CV 1 ASSI { 717} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 125 and name HN )) 4.000 2.000 2.000 peak 717 spectrum 1 weight 0.11000E+01 volume 0.14357E-02 ppm1 0.921 ppm2 7.543 CV 1 ASSI { 718} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 125 and name HA )) 2.300 0.700 0.700 peak 718 spectrum 1 weight 0.11000E+01 volume 0.48215E-02 ppm1 0.922 ppm2 4.101 CV 1 ASSI { 719} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 27 and name HA )) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.11000E+01 volume 0.10976E-02 ppm1 0.867 ppm2 4.998 CV 1 ASSI { 720} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 27 and name HN )) 4.900 3.000 1.100 peak 720 spectrum 1 weight 0.11000E+01 volume 0.34870E-03 ppm1 0.858 ppm2 9.744 CV 1 ASSI { 722} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 32 and name HN )) 3.000 3.000 3.000 peak 722 spectrum 1 weight 0.11000E+01 volume 0.19455E-02 ppm1 0.865 ppm2 8.621 CV 1 ASSI { 726} ( segid "A " and resid 99 and name HG2%) (( segid "A " and resid 104 and name HN )) 4.000 2.000 2.000 peak 726 spectrum 1 weight 0.11000E+01 volume 0.39897E-03 ppm1 0.803 ppm2 7.966 CV 1 ASSI { 728} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 48 and name HN )) 4.400 2.400 1.600 peak 728 spectrum 1 weight 0.11000E+01 volume 0.78171E-03 ppm1 0.775 ppm2 8.153 CV 1 ASSI { 729} ( segid "A " and resid 48 and name HG2%) ( segid "A " and resid 29 and name HE% ) 2.500 2.500 3.500 peak 729 spectrum 1 weight 0.11000E+01 volume 0.59222E-02 ppm1 0.781 ppm2 7.246 CV 1 OR { 729} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 29 and name HZ )) ASSI { 731} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 48 and name HA )) 2.400 0.700 0.700 peak 731 spectrum 1 weight 0.11000E+01 volume 0.62192E-02 ppm1 0.778 ppm2 3.599 CV 1 ASSI { 736} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 104 and name HA )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.11000E+01 volume 0.38757E-02 ppm1 0.826 ppm2 3.794 CV 1 ASSI { 739} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 70 and name HN )) 4.700 2.800 1.300 peak 739 spectrum 1 weight 0.11000E+01 volume 0.54505E-03 ppm1 0.741 ppm2 7.411 CV 1 ASSI { 740} ( segid "A " and resid 69 and name HG2%) ( segid "A " and resid 65 and name HE% ) 6.000 6.000 0.000 peak 740 spectrum 1 weight 0.11000E+01 volume 0.55670E-04 ppm1 0.738 ppm2 6.565 CV 1 ASSI { 741} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 72 and name HB )) 4.900 4.900 1.100 peak 741 spectrum 1 weight 0.11000E+01 volume 0.49000E-03 ppm1 0.716 ppm2 4.107 CV 1 ASSI { 742} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 69 and name HA )) 2.600 0.800 0.800 peak 742 spectrum 1 weight 0.11000E+01 volume 0.41985E-02 ppm1 0.733 ppm2 3.615 CV 1 ASSI { 743} ( segid "A " and resid 151 and name HG2%) (( segid "A " and resid 151 and name HA )) 3.800 3.800 2.200 peak 743 spectrum 1 weight 0.11000E+01 volume 0.14154E-02 ppm1 0.910 ppm2 4.180 CV 1 ASSI { 744} ( segid "A " and resid 116 and name HG2%) (( segid "A " and resid 116 and name HN )) 4.600 2.600 1.400 peak 744 spectrum 1 weight 0.11000E+01 volume 0.13906E-02 ppm1 0.808 ppm2 7.877 CV 1 ASSI { 747} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 123 and name HN )) 3.900 1.900 1.900 peak 747 spectrum 1 weight 0.11000E+01 volume 0.10233E-02 ppm1 0.831 ppm2 7.735 CV 1 ASSI { 748} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 131 and name HA2 )) 3.700 1.700 1.700 peak 748 spectrum 1 weight 0.11000E+01 volume 0.28693E-03 ppm1 0.832 ppm2 4.018 CV 1 ASSI { 749} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 122 and name HA )) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.11000E+01 volume 0.37740E-02 ppm1 0.831 ppm2 3.583 CV 1 ASSI { 750} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 122 and name HN )) 3.900 1.900 1.900 peak 750 spectrum 1 weight 0.11000E+01 volume 0.17170E-02 ppm1 0.828 ppm2 8.241 CV 1 ASSI { 751} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 123 and name HA )) 4.400 2.500 1.600 peak 751 spectrum 1 weight 0.11000E+01 volume 0.45025E-03 ppm1 0.830 ppm2 4.121 CV 1 ASSI { 752} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 131 and name HA1 )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.11000E+01 volume 0.55304E-03 ppm1 0.830 ppm2 3.452 CV 1 ASSI { 754} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 99 and name HN )) 5.400 3.600 0.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.26082E-03 ppm1 0.179 ppm2 10.150 CV 1 ASSI { 755} ( segid "A " and resid 27 and name HD1%) ( segid "A " and resid 68 and name HD% ) 2.500 2.500 3.500 peak 755 spectrum 1 weight 0.11000E+01 volume 0.20706E-02 ppm1 0.118 ppm2 7.066 CV 1 ASSI { 756} ( segid "A " and resid 27 and name HD1%) ( segid "A " and resid 16 and name HD% ) 2.700 0.900 0.900 peak 756 spectrum 1 weight 0.11000E+01 volume 0.12325E-02 ppm1 0.114 ppm2 6.521 CV 1 ASSI { 758} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HN )) 4.600 2.600 1.400 peak 758 spectrum 1 weight 0.11000E+01 volume 0.74213E-03 ppm1 0.755 ppm2 7.540 CV 1 ASSI { 759} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HA )) 4.300 2.300 1.700 peak 759 spectrum 1 weight 0.11000E+01 volume 0.14853E-02 ppm1 0.755 ppm2 4.107 CV 1 ASSI { 760} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 48 and name HN )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.11000E+01 volume 0.25879E-02 ppm1 0.751 ppm2 8.155 CV 1 ASSI { 761} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 33 and name HA )) 2.800 2.800 3.200 peak 761 spectrum 1 weight 0.11000E+01 volume 0.58211E-02 ppm1 0.751 ppm2 3.781 CV 1 ASSI { 762} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 48 and name HA )) 2.300 0.700 0.700 peak 762 spectrum 1 weight 0.11000E+01 volume 0.65253E-02 ppm1 0.754 ppm2 3.590 CV 1 ASSI { 764} ( segid "A " and resid 48 and name HD1%) ( segid "A " and resid 29 and name HE% ) 5.600 4.000 0.400 peak 764 spectrum 1 weight 0.11000E+01 volume 0.30831E-03 ppm1 0.757 ppm2 7.250 CV 1 OR { 764} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 29 and name HZ )) ASSI { 765} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 118 and name HA )) 2.400 2.400 3.600 peak 765 spectrum 1 weight 0.11000E+01 volume 0.36411E-02 ppm1 0.831 ppm2 3.880 CV 1 ASSI { 767} ( segid "A " and resid 116 and name HD1%) (( segid "A " and resid 116 and name HA )) 3.400 1.500 1.500 peak 767 spectrum 1 weight 0.11000E+01 volume 0.27908E-02 ppm1 0.849 ppm2 4.080 CV 1 ASSI { 768} ( segid "A " and resid 151 and name HD1%) (( segid "A " and resid 151 and name HA )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.11000E+01 volume 0.27217E-03 ppm1 0.848 ppm2 4.184 CV 1 ASSI { 770} ( segid "A " and resid 9 and name HD1%) (( segid "A " and resid 9 and name HA )) 4.400 2.400 1.600 peak 770 spectrum 1 weight 0.11000E+01 volume 0.94833E-03 ppm1 0.855 ppm2 3.997 CV 1 ASSI { 771} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 119 and name HA )) 3.700 1.700 1.700 peak 771 spectrum 1 weight 0.11000E+01 volume 0.39118E-03 ppm1 0.782 ppm2 4.323 CV 1 ASSI { 772} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HA )) 4.200 2.200 1.800 peak 772 spectrum 1 weight 0.11000E+01 volume 0.14696E-02 ppm1 0.780 ppm2 3.583 CV 1 ASSI { 773} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HN )) 4.400 2.400 1.600 peak 773 spectrum 1 weight 0.11000E+01 volume 0.94888E-03 ppm1 0.777 ppm2 8.258 CV 1 ASSI { 774} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 101 and name HA )) 3.400 1.400 1.400 peak 774 spectrum 1 weight 0.11000E+01 volume 0.26374E-02 ppm1 0.783 ppm2 3.891 CV 1 ASSI { 775} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 133 and name HA )) 3.800 1.800 1.800 peak 775 spectrum 1 weight 0.11000E+01 volume 0.14605E-02 ppm1 0.741 ppm2 5.254 CV 1 ASSI { 776} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 19 and name HN )) 4.100 2.100 1.900 peak 776 spectrum 1 weight 0.11000E+01 volume 0.83137E-03 ppm1 0.724 ppm2 7.498 CV 1 ASSI { 777} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 68 and name HZ )) 4.300 4.300 1.700 peak 777 spectrum 1 weight 0.11000E+01 volume 0.28298E-03 ppm1 0.722 ppm2 7.255 CV 1 ASSI { 778} ( segid "A " and resid 19 and name HD1%) ( segid "A " and resid 68 and name HD% ) 4.100 2.200 1.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.13624E-02 ppm1 0.730 ppm2 7.048 CV 1 ASSI { 779} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 35 and name HA2 )) 4.100 2.100 1.900 peak 779 spectrum 1 weight 0.11000E+01 volume 0.13508E-02 ppm1 0.725 ppm2 3.876 CV 1 ASSI { 780} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 19 and name HA )) 3.200 1.200 1.200 peak 780 spectrum 1 weight 0.11000E+01 volume 0.19090E-02 ppm1 0.725 ppm2 3.757 CV 1 ASSI { 781} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 35 and name HA1 )) 2.700 0.900 0.900 peak 781 spectrum 1 weight 0.11000E+01 volume 0.18866E-02 ppm1 0.725 ppm2 3.638 CV 1 ASSI { 784} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 20 and name HN )) 6.000 4.900 0.000 peak 784 spectrum 1 weight 0.11000E+01 volume 0.25605E-03 ppm1 0.724 ppm2 7.866 CV 1 ASSI { 786} ( segid "A " and resid 104 and name HD1%) (( segid "A " and resid 104 and name HN )) 4.500 2.500 1.500 peak 786 spectrum 1 weight 0.11000E+01 volume 0.57643E-03 ppm1 0.600 ppm2 7.956 CV 1 ASSI { 787} ( segid "A " and resid 104 and name HD1%) (( segid "A " and resid 101 and name HA )) 2.100 2.100 3.900 peak 787 spectrum 1 weight 0.11000E+01 volume 0.24612E-02 ppm1 0.596 ppm2 3.875 CV 1 ASSI { 788} ( segid "A " and resid 69 and name HD1%) ( segid "A " and resid 65 and name HE% ) 3.600 3.600 2.400 peak 788 spectrum 1 weight 0.11000E+01 volume 0.54717E-03 ppm1 0.656 ppm2 6.565 CV 1 ASSI { 789} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 69 and name HA )) 3.300 1.400 1.400 peak 789 spectrum 1 weight 0.11000E+01 volume 0.24231E-02 ppm1 0.649 ppm2 3.614 CV 1 ASSI { 796} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 48 and name HN )) 3.500 1.500 1.500 peak 796 spectrum 1 weight 0.11000E+01 volume 0.14634E-02 ppm1 0.740 ppm2 8.183 CV 1 ASSI { 797} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 48 and name HA )) 2.700 0.900 0.900 peak 797 spectrum 1 weight 0.11000E+01 volume 0.11218E-02 ppm1 0.752 ppm2 3.604 CV 1 ASSI { 799} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 19 and name HN )) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.11000E+01 volume 0.52936E-03 ppm1 0.730 ppm2 7.500 CV 1 ASSI { 800} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 35 and name HA2 )) 6.000 4.900 0.000 peak 800 spectrum 1 weight 0.11000E+01 volume 0.26055E-03 ppm1 0.730 ppm2 3.886 CV 1 ASSI { 802} (( segid "A " and resid 104 and name HG11)) (( segid "A " and resid 104 and name HN )) 2.900 1.100 1.100 peak 802 spectrum 1 weight 0.11000E+01 volume 0.42649E-03 ppm1 0.672 ppm2 7.952 CV 1 ASSI { 804} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 19 and name HA )) 3.600 1.600 1.600 peak 804 spectrum 1 weight 0.11000E+01 volume 0.11554E-02 ppm1 0.732 ppm2 3.758 CV 1 ASSI { 805} (( segid "A " and resid 12 and name HA )) (( segid "A " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 805 spectrum 1 weight 0.11000E+01 volume 0.21466E-02 ppm1 4.370 ppm2 2.105 CV 1 ASSI { 806} (( segid "A " and resid 12 and name HA )) (( segid "A " and resid 15 and name HB1 )) 2.300 0.700 0.700 peak 806 spectrum 1 weight 0.11000E+01 volume 0.21449E-02 ppm1 4.373 ppm2 1.871 CV 1 ASSI { 809} (( segid "A " and resid 115 and name HA )) (( segid "A " and resid 116 and name HB )) 5.700 4.100 0.300 peak 809 spectrum 1 weight 0.11000E+01 volume 0.32011E-03 ppm1 4.318 ppm2 1.834 CV 1 ASSI { 812} (( segid "A " and resid 15 and name HA )) (( segid "A " and resid 18 and name HB2 )) 2.300 0.700 0.700 peak 812 spectrum 1 weight 0.11000E+01 volume 0.19606E-02 ppm1 4.219 ppm2 2.261 CV 1 ASSI { 813} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 15 and name HD1%) 2.500 0.800 0.800 peak 813 spectrum 1 weight 0.11000E+01 volume 0.57900E-02 ppm1 4.224 ppm2 1.028 CV 1 OR { 813} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 15 and name HD2%) ASSI { 815} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HB1 )) 4.900 3.100 1.100 peak 815 spectrum 1 weight 0.11000E+01 volume 0.23270E-03 ppm1 4.160 ppm2 2.320 CV 1 OR { 815} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HG2 )) ASSI { 817} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.11000E+01 volume 0.83080E-02 ppm1 4.088 ppm2 2.651 CV 1 ASSI { 819} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 33 and name HG2 )) 3.300 1.300 1.300 peak 819 spectrum 1 weight 0.11000E+01 volume 0.14147E-02 ppm1 4.090 ppm2 1.230 CV 1 ASSI { 820} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 33 and name HE2 )) 4.500 2.500 1.500 peak 820 spectrum 1 weight 0.11000E+01 volume 0.14104E-02 ppm1 4.088 ppm2 2.840 CV 1 ASSI { 821} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 821 spectrum 1 weight 0.11000E+01 volume 0.43924E-02 ppm1 4.090 ppm2 2.501 CV 1 ASSI { 822} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 33 and name HD2 )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.11000E+01 volume 0.40532E-02 ppm1 4.091 ppm2 1.544 CV 1 OR { 822} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 33 and name HB2 )) ASSI { 830} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 50 and name HB2 )) 2.100 0.500 0.500 peak 830 spectrum 1 weight 0.11000E+01 volume 0.15725E-01 ppm1 4.380 ppm2 2.782 CV 1 ASSI { 831} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 50 and name HB1 )) 2.500 0.800 0.800 peak 831 spectrum 1 weight 0.11000E+01 volume 0.16002E-01 ppm1 4.380 ppm2 2.670 CV 1 ASSI { 832} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 49 and name HG2 )) 4.300 2.300 1.700 peak 832 spectrum 1 weight 0.11000E+01 volume 0.35171E-03 ppm1 4.378 ppm2 1.355 CV 1 OR { 832} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 49 and name HD1 )) OR { 832} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 49 and name HG1 )) ASSI { 834} (( segid "A " and resid 119 and name HA )) (( segid "A " and resid 122 and name HG12)) 4.000 2.000 2.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.11986E-02 ppm1 4.310 ppm2 1.674 CV 1 ASSI { 836} (( segid "A " and resid 119 and name HA )) ( segid "A " and resid 122 and name HD1%) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.11000E+01 volume 0.52803E-02 ppm1 4.304 ppm2 0.795 CV 1 OR { 836} (( segid "A " and resid 119 and name HA )) ( segid "A " and resid 122 and name HG2%) ASSI { 843} (( segid "A " and resid 154 and name HA )) (( segid "A " and resid 154 and name HB2 )) 2.500 0.800 0.800 peak 843 spectrum 1 weight 0.11000E+01 volume 0.43793E-02 ppm1 4.452 ppm2 1.853 CV 1 ASSI { 844} (( segid "A " and resid 154 and name HA )) ( segid "A " and resid 151 and name HG2%) 1.900 1.900 4.100 peak 844 spectrum 1 weight 0.11000E+01 volume 0.29498E-02 ppm1 4.452 ppm2 0.916 CV 1 ASSI { 847} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 127 and name HB2 )) 2.600 0.800 0.800 peak 847 spectrum 1 weight 0.11000E+01 volume 0.77877E-02 ppm1 4.327 ppm2 2.295 CV 1 ASSI { 848} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 127 and name HB1 )) 2.600 0.800 0.800 peak 848 spectrum 1 weight 0.11000E+01 volume 0.55647E-02 ppm1 4.326 ppm2 2.082 CV 1 ASSI { 850} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 39 and name HB )) 5.100 3.300 0.900 peak 850 spectrum 1 weight 0.11000E+01 volume 0.34758E-03 ppm1 4.202 ppm2 2.490 CV 1 ASSI { 851} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 36 and name HB1 )) 2.200 0.600 0.600 peak 851 spectrum 1 weight 0.11000E+01 volume 0.90814E-02 ppm1 4.207 ppm2 1.475 CV 1 ASSI { 852} (( segid "A " and resid 36 and name HA )) ( segid "A " and resid 39 and name HG2%) 2.500 0.800 0.800 peak 852 spectrum 1 weight 0.11000E+01 volume 0.62488E-02 ppm1 4.202 ppm2 1.053 CV 1 ASSI { 853} (( segid "A " and resid 36 and name HA )) ( segid "A " and resid 36 and name HD1%) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.11000E+01 volume 0.13689E-01 ppm1 4.204 ppm2 0.793 CV 1 OR { 853} (( segid "A " and resid 36 and name HA )) ( segid "A " and resid 36 and name HD2%) ASSI { 854} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HB2 )) 6.000 6.000 0.000 peak 854 spectrum 1 weight 0.11000E+01 volume 0.27686E-04 ppm1 4.153 ppm2 2.160 CV 1 ASSI { 857} (( segid "A " and resid 120 and name HA )) (( segid "A " and resid 120 and name HB2 )) 2.900 1.100 1.100 peak 857 spectrum 1 weight 0.11000E+01 volume 0.28236E-02 ppm1 4.427 ppm2 2.808 CV 1 ASSI { 860} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 37 and name HE2 )) 5.400 3.700 0.600 peak 860 spectrum 1 weight 0.11000E+01 volume 0.13309E-03 ppm1 4.417 ppm2 3.007 CV 1 ASSI { 862} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 53 and name HB1 )) 2.400 0.700 0.700 peak 862 spectrum 1 weight 0.11000E+01 volume 0.92712E-02 ppm1 4.333 ppm2 2.756 CV 1 ASSI { 863} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 53 and name HB2 )) 2.100 0.600 0.600 peak 863 spectrum 1 weight 0.11000E+01 volume 0.17608E-01 ppm1 4.333 ppm2 2.623 CV 1 ASSI { 864} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 127 and name HG1 )) 2.800 1.000 1.000 peak 864 spectrum 1 weight 0.11000E+01 volume 0.53711E-02 ppm1 4.328 ppm2 2.494 CV 1 ASSI { 865} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 143 and name HD2 )) 4.300 2.300 1.700 peak 865 spectrum 1 weight 0.11000E+01 volume 0.12600E-02 ppm1 4.239 ppm2 3.184 CV 1 ASSI { 866} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 143 and name HG2 )) 3.000 1.200 1.200 peak 866 spectrum 1 weight 0.11000E+01 volume 0.36813E-02 ppm1 4.231 ppm2 1.640 CV 1 ASSI { 867} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 61 and name HN )) 3.400 1.500 1.500 peak 867 spectrum 1 weight 0.11000E+01 volume 0.13635E-02 ppm1 3.913 ppm2 -0.628 CV 1 ASSI { 870} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 105 and name HB1 )) 3.500 3.500 2.500 peak 870 spectrum 1 weight 0.11000E+01 volume 0.50589E-02 ppm1 4.425 ppm2 2.237 CV 1 ASSI { 874} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 144 and name HG2 )) 4.400 2.500 1.600 peak 874 spectrum 1 weight 0.11000E+01 volume 0.50426E-03 ppm1 4.249 ppm2 1.431 CV 1 ASSI { 875} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HB2 )) 1.900 0.500 0.500 peak 875 spectrum 1 weight 0.11000E+01 volume 0.14103E-01 ppm1 3.910 ppm2 1.957 CV 1 ASSI { 876} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HD1 )) 3.000 1.100 1.100 peak 876 spectrum 1 weight 0.11000E+01 volume 0.36598E-02 ppm1 3.910 ppm2 1.759 CV 1 ASSI { 877} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HD2 )) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.11000E+01 volume 0.72046E-03 ppm1 3.912 ppm2 1.682 CV 1 ASSI { 879} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HG2 )) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.11000E+01 volume 0.50742E-02 ppm1 3.911 ppm2 1.358 CV 1 ASSI { 882} (( segid "A " and resid 102 and name HA )) ( segid "A " and resid 101 and name HD1%) 3.800 1.800 1.800 peak 882 spectrum 1 weight 0.11000E+01 volume 0.12121E-02 ppm1 4.422 ppm2 0.908 CV 1 ASSI { 885} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 52 and name HB1 )) 3.100 3.100 2.900 peak 885 spectrum 1 weight 0.11000E+01 volume 0.39085E-02 ppm1 4.349 ppm2 1.946 CV 1 ASSI { 888} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 888 spectrum 1 weight 0.11000E+01 volume 0.62063E-03 ppm1 4.297 ppm2 2.047 CV 1 ASSI { 894} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 42 and name HB2 )) 2.300 0.700 0.700 peak 894 spectrum 1 weight 0.11000E+01 volume 0.14274E-01 ppm1 4.384 ppm2 2.267 CV 1 OR { 894} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 42 and name HG2 )) ASSI { 895} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 42 and name HB1 )) 2.100 0.600 0.600 peak 895 spectrum 1 weight 0.11000E+01 volume 0.11529E-01 ppm1 4.378 ppm2 1.879 CV 1 ASSI { 898} (( segid "A " and resid 153 and name HA )) (( segid "A " and resid 153 and name HB1 )) 3.000 1.100 1.100 peak 898 spectrum 1 weight 0.11000E+01 volume 0.20834E-02 ppm1 4.373 ppm2 1.755 CV 1 ASSI { 901} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 43 and name HG )) 3.700 1.700 1.700 peak 901 spectrum 1 weight 0.11000E+01 volume 0.10149E-02 ppm1 4.301 ppm2 1.647 CV 1 ASSI { 902} (( segid "A " and resid 43 and name HA )) ( segid "A " and resid 43 and name HD1%) 2.500 2.500 3.500 peak 902 spectrum 1 weight 0.11000E+01 volume 0.72061E-02 ppm1 4.341 ppm2 0.793 CV 1 OR { 902} (( segid "A " and resid 43 and name HA )) ( segid "A " and resid 43 and name HD2%) ASSI { 903} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 903 spectrum 1 weight 0.11000E+01 volume 0.30223E-02 ppm1 4.306 ppm2 1.529 CV 1 ASSI { 904} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 43 and name HB1 )) 2.400 0.700 0.700 peak 904 spectrum 1 weight 0.11000E+01 volume 0.36493E-02 ppm1 4.303 ppm2 1.396 CV 1 ASSI { 905} (( segid "A " and resid 43 and name HA )) ( segid "A " and resid 43 and name HD1%) 3.300 1.300 1.300 peak 905 spectrum 1 weight 0.11000E+01 volume 0.13074E-01 ppm1 4.301 ppm2 0.796 CV 1 ASSI { 907} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 907 spectrum 1 weight 0.11000E+01 volume 0.65595E-02 ppm1 4.258 ppm2 1.549 CV 1 OR { 907} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HB1 )) ASSI { 911} (( segid "A " and resid 139 and name HA )) ( segid "A " and resid 84 and name HD1%) 4.300 4.300 1.700 peak 911 spectrum 1 weight 0.11000E+01 volume 0.41108E-03 ppm1 3.740 ppm2 0.966 CV 1 ASSI { 912} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HB2 )) 2.500 0.800 0.800 peak 912 spectrum 1 weight 0.11000E+01 volume 0.77232E-02 ppm1 4.418 ppm2 3.080 CV 1 ASSI { 913} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HB1 )) 2.500 0.800 0.800 peak 913 spectrum 1 weight 0.11000E+01 volume 0.66400E-02 ppm1 4.417 ppm2 2.701 CV 1 ASSI { 914} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 90 and name HB1 )) 2.800 1.000 1.000 peak 914 spectrum 1 weight 0.11000E+01 volume 0.30010E-02 ppm1 4.314 ppm2 2.985 CV 1 ASSI { 916} (( segid "A " and resid 139 and name HA )) ( segid "A " and resid 139 and name HB% ) 2.400 0.700 0.700 peak 916 spectrum 1 weight 0.11000E+01 volume 0.81012E-02 ppm1 3.689 ppm2 1.178 CV 1 ASSI { 917} (( segid "A " and resid 139 and name HA )) ( segid "A " and resid 142 and name HE% ) 2.800 1.000 1.000 peak 917 spectrum 1 weight 0.11000E+01 volume 0.46826E-02 ppm1 3.680 ppm2 1.861 CV 1 ASSI { 920} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 143 and name HD2 )) 5.000 3.200 1.000 peak 920 spectrum 1 weight 0.11000E+01 volume 0.33012E-03 ppm1 4.020 ppm2 3.172 CV 1 ASSI { 921} (( segid "A " and resid 78 and name HA )) (( segid "A " and resid 77 and name HB2 )) 4.300 2.300 1.700 peak 921 spectrum 1 weight 0.11000E+01 volume 0.78759E-03 ppm1 4.019 ppm2 1.912 CV 1 ASSI { 922} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 143 and name HB2 )) 3.300 1.400 1.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.15361E-02 ppm1 4.019 ppm2 1.824 CV 1 ASSI { 924} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 25 and name HN )) 4.800 2.900 1.200 peak 924 spectrum 1 weight 0.11000E+01 volume 0.15497E-02 ppm1 4.348 ppm2 -0.372 CV 1 ASSI { 925} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 113 and name HB2 )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.11000E+01 volume 0.41135E-02 ppm1 4.460 ppm2 1.698 CV 1 ASSI { 927} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 113 and name HB1 )) 2.700 0.900 0.900 peak 927 spectrum 1 weight 0.11000E+01 volume 0.30292E-02 ppm1 4.456 ppm2 1.525 CV 1 ASSI { 928} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 23 and name HB2 )) 2.300 0.700 0.700 peak 928 spectrum 1 weight 0.11000E+01 volume 0.90168E-02 ppm1 4.346 ppm2 3.077 CV 1 ASSI { 929} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 23 and name HB1 )) 2.600 0.800 0.800 peak 929 spectrum 1 weight 0.11000E+01 volume 0.68414E-02 ppm1 4.348 ppm2 2.730 CV 1 ASSI { 930} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 20 and name HB1 )) 6.000 4.600 0.000 peak 930 spectrum 1 weight 0.11000E+01 volume 0.37378E-03 ppm1 4.340 ppm2 1.488 CV 1 ASSI { 933} (( segid "A " and resid 78 and name HA )) (( segid "A " and resid 78 and name HB2 )) 2.900 1.000 1.000 peak 933 spectrum 1 weight 0.11000E+01 volume 0.38029E-02 ppm1 4.045 ppm2 1.667 CV 1 ASSI { 934} (( segid "A " and resid 78 and name HA )) ( segid "A " and resid 78 and name HD1%) 3.400 1.400 1.400 peak 934 spectrum 1 weight 0.11000E+01 volume 0.36873E-02 ppm1 4.042 ppm2 0.895 CV 1 ASSI { 935} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HB2 )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.11000E+01 volume 0.27152E-02 ppm1 4.423 ppm2 2.893 CV 1 ASSI { 936} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HB1 )) 2.700 0.900 0.900 peak 936 spectrum 1 weight 0.11000E+01 volume 0.38394E-02 ppm1 4.423 ppm2 2.495 CV 1 ASSI { 938} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 107 and name HB% ) 2.400 0.700 0.700 peak 938 spectrum 1 weight 0.11000E+01 volume 0.96223E-02 ppm1 4.239 ppm2 1.416 CV 1 ASSI { 941} (( segid "A " and resid 54 and name HA )) ( segid "A " and resid 54 and name HB% ) 2.200 0.600 0.600 peak 941 spectrum 1 weight 0.11000E+01 volume 0.19676E-01 ppm1 4.074 ppm2 1.359 CV 1 ASSI { 976} (( segid "A " and resid 35 and name HA2 )) ( segid "A " and resid 19 and name HG2%) 3.200 1.300 1.300 peak 976 spectrum 1 weight 0.11000E+01 volume 0.45253E-02 ppm1 3.892 ppm2 0.751 CV 1 OR { 976} (( segid "A " and resid 35 and name HA2 )) ( segid "A " and resid 19 and name HD1%) ASSI { 981} (( segid "A " and resid 35 and name HA1 )) ( segid "A " and resid 19 and name HG2%) 2.200 0.600 0.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.63999E-02 ppm1 3.644 ppm2 0.755 CV 1 OR { 981} (( segid "A " and resid 35 and name HA1 )) ( segid "A " and resid 19 and name HD1%) OR { 981} (( segid "A " and resid 35 and name HA1 )) (( segid "A " and resid 19 and name HG11)) ASSI { 982} (( segid "A " and resid 95 and name HA1 )) (( segid "A " and resid 97 and name HN )) 5.500 3.800 0.500 peak 982 spectrum 1 weight 0.11000E+01 volume 0.31477E-03 ppm1 3.851 ppm2 -0.797 CV 1 ASSI { 983} (( segid "A " and resid 136 and name HA1 )) ( segid "A " and resid 139 and name HB% ) 4.900 3.000 1.100 peak 983 spectrum 1 weight 0.11000E+01 volume 0.82693E-03 ppm1 3.939 ppm2 1.177 CV 1 ASSI { 984} (( segid "A " and resid 66 and name HA2 )) (( segid "A " and resid 69 and name HG11)) 4.100 2.100 1.900 peak 984 spectrum 1 weight 0.11000E+01 volume 0.22616E-03 ppm1 3.909 ppm2 1.100 CV 1 ASSI { 985} (( segid "A " and resid 66 and name HA2 )) (( segid "A " and resid 67 and name HB2 )) 5.000 3.200 1.000 peak 985 spectrum 1 weight 0.11000E+01 volume 0.37207E-03 ppm1 3.901 ppm2 2.562 CV 1 ASSI { 986} (( segid "A " and resid 136 and name HA2 )) ( segid "A " and resid 139 and name HB% ) 2.900 2.900 3.100 peak 986 spectrum 1 weight 0.11000E+01 volume 0.22162E-02 ppm1 3.623 ppm2 1.167 CV 1 ASSI { 988} (( segid "A " and resid 66 and name HA1 )) ( segid "A " and resid 69 and name HD1%) 4.400 2.400 1.600 peak 988 spectrum 1 weight 0.11000E+01 volume 0.21065E-02 ppm1 3.602 ppm2 0.671 CV 1 ASSI { 992} (( segid "A " and resid 25 and name HA2 )) (( segid "A " and resid 25 and name HN )) 2.300 0.600 0.600 peak 992 spectrum 1 weight 0.11000E+01 volume 0.49448E-02 ppm1 4.428 ppm2 -0.369 CV 1 ASSI { 993} (( segid "A " and resid 61 and name HA2 )) (( segid "A " and resid 61 and name HN )) 2.300 0.700 0.700 peak 993 spectrum 1 weight 0.11000E+01 volume 0.50232E-02 ppm1 4.306 ppm2 -0.628 CV 1 ASSI { 996} (( segid "A " and resid 25 and name HA2 )) ( segid "A " and resid 26 and name HG2%) 4.300 2.300 1.700 peak 996 spectrum 1 weight 0.11000E+01 volume 0.11545E-02 ppm1 4.425 ppm2 1.178 CV 1 ASSI { 997} (( segid "A " and resid 61 and name HA2 )) ( segid "A " and resid 52 and name HE% ) 3.700 1.700 1.700 peak 997 spectrum 1 weight 0.11000E+01 volume 0.40006E-03 ppm1 4.311 ppm2 2.043 CV 1 ASSI { 1001} (( segid "A " and resid 97 and name HA2 )) (( segid "A " and resid 97 and name HN )) 2.400 0.700 0.700 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.44551E-02 ppm1 4.220 ppm2 -0.800 CV 1 ASSI { 1006} (( segid "A " and resid 62 and name HB )) ( segid "A " and resid 62 and name HG2%) 2.100 0.600 0.600 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.11336E-01 ppm1 3.790 ppm2 1.079 CV 1 ASSI { 1009} (( segid "A " and resid 62 and name HB )) ( segid "A " and resid 26 and name HG2%) 4.800 4.800 1.200 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.17193E-02 ppm1 3.791 ppm2 1.193 CV 1 ASSI { 1017} (( segid "A " and resid 26 and name HB )) ( segid "A " and resid 26 and name HG2%) 2.100 0.500 0.500 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.13318E-01 ppm1 3.847 ppm2 1.176 CV 1 ASSI { 1080} (( segid "A " and resid 21 and name HB )) ( segid "A " and resid 21 and name HG2%) 2.200 0.600 0.600 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.12287E-01 ppm1 4.308 ppm2 1.286 CV 1 ASSI { 1106} (( segid "A " and resid 85 and name HA )) ( segid "A " and resid 85 and name HG2%) 2.600 0.800 0.800 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.74397E-02 ppm1 3.871 ppm2 0.982 CV 1 ASSI { 1112} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 88 and name HB1 )) 4.400 2.400 1.600 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.44078E-03 ppm1 3.861 ppm2 3.220 CV 1 OR { 1112} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 88 and name HA )) ASSI { 1117} (( segid "A " and resid 104 and name HA )) ( segid "A " and resid 107 and name HB% ) 3.300 1.300 1.300 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.13138E-02 ppm1 3.798 ppm2 1.411 CV 1 ASSI { 1118} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 104 and name HB )) 2.900 1.100 1.100 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.16146E-02 ppm1 3.800 ppm2 1.961 CV 1 ASSI { 1120} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 104 and name HG11)) 2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.27954E-02 ppm1 3.796 ppm2 0.660 CV 1 ASSI { 1124} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 48 and name HB )) 2.500 0.800 0.800 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.41762E-02 ppm1 3.599 ppm2 2.041 CV 1 ASSI { 1127} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 75 and name HB2 )) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.51268E-03 ppm1 3.806 ppm2 1.533 CV 1 ASSI { 1128} (( segid "A " and resid 72 and name HA )) ( segid "A " and resid 12 and name HD1%) 4.000 4.000 2.000 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.33271E-02 ppm1 3.798 ppm2 0.926 CV 1 ASSI { 1131} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 122 and name HB )) 2.600 0.800 0.800 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.44127E-02 ppm1 3.580 ppm2 2.013 CV 1 ASSI { 1133} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 122 and name HG11)) 3.000 1.100 1.100 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.27845E-02 ppm1 3.579 ppm2 1.051 CV 1 ASSI { 1134} (( segid "A " and resid 21 and name HA )) ( segid "A " and resid 21 and name HG2%) 3.000 1.100 1.100 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.10300E-01 ppm1 3.985 ppm2 1.276 CV 1 ASSI { 1137} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 118 and name HG12)) 3.500 1.600 1.600 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.97434E-03 ppm1 3.850 ppm2 1.075 CV 1 ASSI { 1138} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 36 and name HB2 )) 4.600 2.700 1.400 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.25815E-03 ppm1 3.739 ppm2 1.849 CV 1 OR { 1138} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 36 and name HG )) ASSI { 1140} (( segid "A " and resid 41 and name HB2 )) ( segid "A " and resid 36 and name HD1%) 3.600 1.600 1.600 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.21140E-02 ppm1 3.734 ppm2 0.777 CV 1 OR { 1140} (( segid "A " and resid 41 and name HB2 )) ( segid "A " and resid 36 and name HD2%) ASSI { 1143} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 121 and name HB2 )) 3.100 1.200 1.200 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.10365E-02 ppm1 3.853 ppm2 2.240 CV 1 ASSI { 1144} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 121 and name HB1 )) 2.800 0.900 0.900 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.91579E-03 ppm1 3.853 ppm2 2.088 CV 1 ASSI { 1146} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 118 and name HG11)) 3.600 1.600 1.600 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.11925E-02 ppm1 3.853 ppm2 1.698 CV 1 ASSI { 1147} (( segid "A " and resid 118 and name HA )) ( segid "A " and resid 118 and name HG2%) 2.500 0.800 0.800 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.49872E-02 ppm1 3.850 ppm2 0.955 CV 1 ASSI { 1149} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.17704E-02 ppm1 3.753 ppm2 1.471 CV 1 ASSI { 1151} (( segid "A " and resid 41 and name HB1 )) (( segid "A " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.40154E-02 ppm1 3.581 ppm2 1.478 CV 1 ASSI { 1154} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 57 and name HB )) 2.600 0.900 0.900 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.66853E-02 ppm1 3.905 ppm2 2.036 CV 1 ASSI { 1155} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 57 and name HG11)) 3.800 1.800 1.800 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.18818E-02 ppm1 3.905 ppm2 1.654 CV 1 ASSI { 1156} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 57 and name HG12)) 2.900 1.100 1.100 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.35527E-02 ppm1 3.905 ppm2 1.426 CV 1 ASSI { 1157} (( segid "A " and resid 57 and name HA )) ( segid "A " and resid 57 and name HG2%) 2.400 0.700 0.700 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.97055E-02 ppm1 3.904 ppm2 0.988 CV 1 OR { 1157} (( segid "A " and resid 57 and name HA )) ( segid "A " and resid 57 and name HD1%) ASSI { 1160} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HG11)) 4.000 2.000 2.000 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.44313E-03 ppm1 3.616 ppm2 1.138 CV 1 OR { 1160} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HG12)) ASSI { 1162} (( segid "A " and resid 69 and name HA )) ( segid "A " and resid 12 and name HD1%) 3.800 1.800 1.800 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.24049E-02 ppm1 3.614 ppm2 0.918 CV 1 ASSI { 1164} (( segid "A " and resid 69 and name HA )) ( segid "A " and resid 69 and name HG2%) 2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.66084E-02 ppm1 3.610 ppm2 0.709 CV 1 OR { 1164} (( segid "A " and resid 69 and name HA )) ( segid "A " and resid 69 and name HD1%) ASSI { 1168} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG11)) 3.800 1.800 1.800 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.72413E-03 ppm1 3.993 ppm2 1.184 CV 1 ASSI { 1173} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HB )) 3.500 1.600 1.600 peak 1173 spectrum 1 weight 0.11000E+01 volume 0.90427E-03 ppm1 3.995 ppm2 1.964 CV 1 ASSI { 1174} (( segid "A " and resid 9 and name HA )) ( segid "A " and resid 9 and name HG2%) 3.100 1.200 1.200 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.32657E-02 ppm1 3.995 ppm2 0.963 CV 1 ASSI { 1175} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG12)) 4.400 2.400 1.600 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.43844E-03 ppm1 3.993 ppm2 1.614 CV 1 ASSI { 1177} (( segid "A " and resid 19 and name HA )) (( segid "A " and resid 19 and name HB )) 2.700 0.900 0.900 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.22788E-02 ppm1 3.755 ppm2 1.479 CV 1 ASSI { 1178} (( segid "A " and resid 19 and name HA )) ( segid "A " and resid 19 and name HG2%) 2.300 0.600 0.600 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.90589E-02 ppm1 3.760 ppm2 0.763 CV 1 OR { 1178} (( segid "A " and resid 19 and name HA )) ( segid "A " and resid 19 and name HD1%) ASSI { 1179} (( segid "A " and resid 19 and name HA )) (( segid "A " and resid 19 and name HG12)) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.23740E-02 ppm1 3.751 ppm2 1.878 CV 1 ASSI { 1184} (( segid "A " and resid 19 and name HA )) ( segid "A " and resid 21 and name HG2%) 4.300 2.300 1.700 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.47791E-03 ppm1 3.756 ppm2 1.281 CV 1 ASSI { 1189} (( segid "A " and resid 116 and name HA )) (( segid "A " and resid 116 and name HB )) 2.900 1.000 1.000 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.38647E-02 ppm1 4.049 ppm2 1.880 CV 1 ASSI { 1190} (( segid "A " and resid 116 and name HA )) (( segid "A " and resid 116 and name HG12)) 4.400 2.400 1.600 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.21857E-03 ppm1 4.046 ppm2 1.399 CV 1 ASSI { 1192} (( segid "A " and resid 116 and name HA )) ( segid "A " and resid 116 and name HG2%) 2.700 0.900 0.900 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.50275E-02 ppm1 4.049 ppm2 0.822 CV 1 ASSI { 1194} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 68 and name HB1 )) 2.500 0.800 0.800 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.18773E-02 ppm1 3.632 ppm2 3.273 CV 1 ASSI { 1195} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.36842E-02 ppm1 3.628 ppm2 2.574 CV 1 ASSI { 1196} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 65 and name HB1 )) 2.800 0.900 0.900 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.58423E-02 ppm1 3.627 ppm2 2.295 CV 1 ASSI { 1197} (( segid "A " and resid 135 and name HA )) (( segid "A " and resid 138 and name HB2 )) 3.500 1.500 1.500 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.85140E-03 ppm1 3.484 ppm2 3.341 CV 1 ASSI { 1198} (( segid "A " and resid 135 and name HA )) (( segid "A " and resid 135 and name HB2 )) 2.700 0.900 0.900 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.17482E-02 ppm1 3.477 ppm2 2.450 CV 1 ASSI { 1200} (( segid "A " and resid 135 and name HA )) (( segid "A " and resid 135 and name HB1 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.24588E-02 ppm1 3.473 ppm2 2.099 CV 1 ASSI { 1208} (( segid "A " and resid 45 and name HA )) ( segid "A " and resid 48 and name HD1%) 4.200 2.200 1.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.31204E-03 ppm1 3.874 ppm2 0.748 CV 1 OR { 1208} (( segid "A " and resid 45 and name HA )) ( segid "A " and resid 48 and name HG2%) OR { 1208} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 48 and name HG11)) ASSI { 1210} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 52 and name HG1 )) 6.000 6.000 0.000 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.26105E-04 ppm1 4.401 ppm2 2.792 CV 1 ASSI { 1211} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 48 and name HG2%) 3.800 1.800 1.800 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.43537E-03 ppm1 4.393 ppm2 0.778 CV 1 OR { 1211} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 48 and name HG11)) ASSI { 1212} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 52 and name HE% ) 3.100 1.200 1.200 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.14877E-02 ppm1 4.392 ppm2 2.020 CV 1 ASSI { 1213} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 32 and name HB2 )) 2.100 0.600 0.600 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.37201E-02 ppm1 4.394 ppm2 1.942 CV 1 ASSI { 1214} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 32 and name HD1%) 3.800 1.800 1.800 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.25383E-02 ppm1 4.393 ppm2 0.897 CV 1 OR { 1214} (( segid "A " and resid 29 and name HA )) ( segid "A " and resid 32 and name HD2%) ASSI { 1215} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 32 and name HB1 )) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.22902E-02 ppm1 4.389 ppm2 1.406 CV 1 ASSI { 1218} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HB1 )) 4.300 2.300 1.700 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.19004E-03 ppm1 3.848 ppm2 2.184 CV 1 OR { 1218} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HB2 )) ASSI { 1224} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 29 and name HB1 )) 2.800 1.000 1.000 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.41420E-02 ppm1 4.389 ppm2 3.065 CV 1 ASSI { 1225} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 125 and name HB )) 2.800 1.000 1.000 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.31348E-02 ppm1 4.107 ppm2 1.815 CV 1 ASSI { 1226} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 125 and name HG12)) 2.900 1.000 1.000 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.16370E-02 ppm1 4.106 ppm2 1.162 CV 1 ASSI { 1229} (( segid "A " and resid 68 and name HA )) ( segid "A " and resid 71 and name HB% ) 2.500 0.800 0.800 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.38014E-02 ppm1 3.961 ppm2 1.428 CV 1 ASSI { 1230} (( segid "A " and resid 68 and name HA )) ( segid "A " and resid 63 and name HG2%) 2.100 0.500 0.500 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.53469E-02 ppm1 3.960 ppm2 1.264 CV 1 ASSI { 1232} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 68 and name HB1 )) 2.500 0.800 0.800 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.63558E-02 ppm1 3.958 ppm2 3.277 CV 1 ASSI { 1233} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HG1 )) 2.600 0.900 0.900 peak 1233 spectrum 1 weight 0.11000E+01 volume 0.43226E-02 ppm1 3.880 ppm2 2.409 CV 1 OR { 1233} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HG2 )) ASSI { 1234} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HB1 )) 2.100 0.600 0.600 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.91999E-02 ppm1 3.881 ppm2 2.228 CV 1 ASSI { 1235} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 48 and name HG12)) 3.200 1.300 1.300 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.94061E-03 ppm1 3.878 ppm2 1.813 CV 1 ASSI { 1237} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 48 and name HB )) 2.100 0.600 0.600 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.52125E-02 ppm1 3.876 ppm2 2.036 CV 1 ASSI { 1242} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 39 and name HB )) 2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.74764E-02 ppm1 4.426 ppm2 2.497 CV 1 ASSI { 1243} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 38 and name HB2 )) 3.000 3.000 3.000 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.20322E-03 ppm1 4.429 ppm2 2.028 CV 1 ASSI { 1244} (( segid "A " and resid 39 and name HA )) ( segid "A " and resid 39 and name HG2%) 3.500 1.600 1.600 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.22955E-02 ppm1 4.429 ppm2 1.060 CV 1 ASSI { 1246} (( segid "A " and resid 151 and name HA )) (( segid "A " and resid 151 and name HG12)) 3.700 1.800 1.800 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.75086E-03 ppm1 4.180 ppm2 1.185 CV 1 ASSI { 1247} (( segid "A " and resid 151 and name HA )) ( segid "A " and resid 151 and name HG2%) 3.500 1.500 1.500 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.33186E-02 ppm1 4.181 ppm2 0.906 CV 1 OR { 1247} (( segid "A " and resid 151 and name HA )) ( segid "A " and resid 151 and name HD1%) ASSI { 1249} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 92 and name HB2 )) 4.600 2.600 1.400 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.55473E-03 ppm1 4.030 ppm2 1.401 CV 1 ASSI { 1250} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 92 and name HB1 )) 3.200 1.300 1.300 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.15614E-02 ppm1 4.023 ppm2 2.344 CV 1 ASSI { 1251} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 133 and name HG2%) 2.400 0.700 0.700 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.41174E-02 ppm1 3.930 ppm2 1.200 CV 1 ASSI { 1252} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 125 and name HG2%) 4.500 2.500 1.500 peak 1252 spectrum 1 weight 0.11000E+01 volume 0.30813E-03 ppm1 3.933 ppm2 0.926 CV 1 ASSI { 1253} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 138 and name HB2 )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.20082E-02 ppm1 3.928 ppm2 3.349 CV 1 ASSI { 1254} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 138 and name HB1 )) 2.800 1.000 1.000 peak 1254 spectrum 1 weight 0.11000E+01 volume 0.37688E-02 ppm1 3.927 ppm2 3.178 CV 1 ASSI { 1261} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 49 and name HD1 )) 4.800 2.900 1.200 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.64356E-03 ppm1 4.135 ppm2 1.321 CV 1 OR { 1261} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 49 and name HG1 )) ASSI { 1262} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 141 and name HB2 )) 4.200 2.200 1.800 peak 1262 spectrum 1 weight 0.11000E+01 volume 0.12763E-02 ppm1 3.937 ppm2 2.167 CV 1 ASSI { 1270} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 90 and name HB2 )) 2.200 0.600 0.600 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.10998E-01 ppm1 3.993 ppm2 3.037 CV 1 OR { 1270} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 90 and name HB1 )) ASSI { 1277} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 16 and name HB1 )) 2.400 0.700 0.700 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.25878E-02 ppm1 4.129 ppm2 3.220 CV 1 ASSI { 1278} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.19902E-02 ppm1 4.129 ppm2 2.764 CV 1 ASSI { 1279} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 13 and name HD2 )) 4.400 2.400 1.600 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.10118E-02 ppm1 4.130 ppm2 1.578 CV 1 ASSI { 1282} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 91 and name HB1 )) 2.500 0.800 0.800 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.45575E-02 ppm1 3.937 ppm2 2.624 CV 1 OR { 1282} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 91 and name HB2 )) ASSI { 1283} (( segid "A " and resid 91 and name HA )) ( segid "A " and resid 107 and name HB% ) 3.100 1.200 1.200 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.20182E-02 ppm1 3.937 ppm2 1.405 CV 1 ASSI { 1284} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 33 and name HG2 )) 2.900 1.000 1.000 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.52842E-02 ppm1 3.784 ppm2 1.229 CV 1 ASSI { 1287} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.67473E-02 ppm1 3.781 ppm2 1.548 CV 1 OR { 1287} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 33 and name HD2 )) ASSI { 1289} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 25 and name HN )) 3.600 1.600 1.600 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.88698E-03 ppm1 4.292 ppm2 -0.368 CV 1 ASSI { 1293} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 13 and name HG2 )) 3.000 1.100 1.100 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.29623E-02 ppm1 4.128 ppm2 1.388 CV 1 ASSI { 1294} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 52 and name HB2 )) 2.300 0.600 0.600 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.39699E-02 ppm1 3.968 ppm2 2.474 CV 1 ASSI { 1296} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HB1 )) 2.600 0.900 0.900 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.61149E-02 ppm1 3.970 ppm2 1.875 CV 1 ASSI { 1297} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HD2 )) 4.500 2.600 1.500 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.11704E-02 ppm1 3.966 ppm2 1.565 CV 1 ASSI { 1298} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HG1 )) 2.800 0.900 0.900 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.37991E-02 ppm1 3.964 ppm2 1.319 CV 1 OR { 1298} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HD1 )) ASSI { 1299} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 48 and name HG2%) 3.100 1.200 1.200 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.13089E-02 ppm1 3.969 ppm2 0.769 CV 1 ASSI { 1303} (( segid "A " and resid 157 and name HA )) (( segid "A " and resid 157 and name HB1 )) 2.400 0.700 0.700 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.86645E-02 ppm1 4.287 ppm2 2.035 CV 1 OR { 1303} (( segid "A " and resid 157 and name HA )) (( segid "A " and resid 157 and name HB2 )) ASSI { 1304} (( segid "A " and resid 157 and name HA )) (( segid "A " and resid 157 and name HD2 )) 4.700 2.700 1.300 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.59412E-03 ppm1 4.287 ppm2 1.747 CV 1 ASSI { 1305} (( segid "A " and resid 157 and name HA )) (( segid "A " and resid 157 and name HG2 )) 3.000 1.100 1.100 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.27873E-02 ppm1 4.287 ppm2 1.544 CV 1 ASSI { 1306} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 104 and name HB )) 2.100 0.600 0.600 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.15633E-02 ppm1 3.876 ppm2 1.969 CV 1 ASSI { 1312} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 105 and name HG1 )) 4.400 2.400 1.600 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.37373E-03 ppm1 3.865 ppm2 2.293 CV 1 ASSI { 1315} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HD2 )) 5.200 3.400 0.800 peak 1315 spectrum 1 weight 0.11000E+01 volume 0.60612E-03 ppm1 4.122 ppm2 3.255 CV 1 ASSI { 1318} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HB1 )) 2.100 0.600 0.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.12520E-01 ppm1 4.038 ppm2 2.554 CV 1 OR { 1318} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HG2 )) OR { 1318} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HB2 )) ASSI { 1320} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HG2 )) 3.000 1.100 1.100 peak 1320 spectrum 1 weight 0.11000E+01 volume 0.21394E-02 ppm1 3.919 ppm2 2.511 CV 1 ASSI { 1321} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HG1 )) 2.900 1.100 1.100 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.68262E-02 ppm1 3.919 ppm2 2.278 CV 1 ASSI { 1322} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HB2 )) 2.900 1.000 1.000 peak 1322 spectrum 1 weight 0.11000E+01 volume 0.47092E-02 ppm1 3.919 ppm2 2.119 CV 1 ASSI { 1328} (( segid "A " and resid 96 and name HA )) (( segid "A " and resid 97 and name HN )) 3.700 1.700 1.700 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.10236E-02 ppm1 4.260 ppm2 -0.792 CV 1 ASSI { 1332} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 37 and name HD2 )) 2.000 2.000 4.000 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.21114E-02 ppm1 4.153 ppm2 1.744 CV 1 ASSI { 1334} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 37 and name HG2 )) 3.000 3.000 3.000 peak 1334 spectrum 1 weight 0.11000E+01 volume 0.38818E-02 ppm1 4.149 ppm2 1.480 CV 1 ASSI { 1335} (( segid "A " and resid 123 and name HA )) (( segid "A " and resid 126 and name HB1 )) 3.000 1.100 1.100 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.69313E-03 ppm1 4.124 ppm2 2.497 CV 1 ASSI { 1337} (( segid "A " and resid 123 and name HA )) (( segid "A " and resid 126 and name HB2 )) 3.700 1.800 1.800 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.20203E-02 ppm1 4.116 ppm2 2.901 CV 1 ASSI { 1339} (( segid "A " and resid 123 and name HA )) (( segid "A " and resid 123 and name HG1 )) 2.600 0.800 0.800 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.10062E-01 ppm1 4.119 ppm2 1.653 CV 1 OR { 1339} (( segid "A " and resid 123 and name HA )) (( segid "A " and resid 123 and name HD2 )) ASSI { 1341} (( segid "A " and resid 14 and name HA )) (( segid "A " and resid 17 and name HG1 )) 3.300 1.400 1.400 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.21442E-02 ppm1 4.076 ppm2 1.730 CV 1 OR { 1341} (( segid "A " and resid 14 and name HA )) (( segid "A " and resid 17 and name HD2 )) ASSI { 1347} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HB2 )) 2.200 0.600 0.600 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.93156E-02 ppm1 3.974 ppm2 2.512 CV 1 OR { 1347} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HG2 )) ASSI { 1350} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 17 and name HB2 )) 2.100 0.500 0.500 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.16453E-01 ppm1 3.963 ppm2 1.921 CV 1 ASSI { 1351} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 17 and name HG1 )) 3.300 1.300 1.300 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.53862E-02 ppm1 3.961 ppm2 1.735 CV 1 OR { 1351} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 17 and name HD2 )) ASSI { 1354} (( segid "A " and resid 111 and name HA )) (( segid "A " and resid 111 and name HB2 )) 3.000 1.200 1.200 peak 1354 spectrum 1 weight 0.11000E+01 volume 0.36601E-02 ppm1 4.469 ppm2 3.131 CV 1 ASSI { 1361} (( segid "A " and resid 31 and name HA )) ( segid "A " and resid 19 and name HG2%) 4.400 2.500 1.600 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.38544E-03 ppm1 4.080 ppm2 0.783 CV 1 ASSI { 1362} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HG1 )) 3.500 1.500 1.500 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.11286E-02 ppm1 3.992 ppm2 2.790 CV 1 ASSI { 1366} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 50 and name HB2 )) 2.600 0.800 0.800 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.59064E-02 ppm1 4.283 ppm2 2.800 CV 1 ASSI { 1367} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 47 and name HB2 )) 2.800 0.900 0.900 peak 1367 spectrum 1 weight 0.11000E+01 volume 0.38748E-02 ppm1 4.283 ppm2 2.522 CV 1 ASSI { 1370} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 47 and name HG2 )) 2.300 0.700 0.700 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.10601E-01 ppm1 4.280 ppm2 2.318 CV 1 ASSI { 1371} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 47 and name HB1 )) 2.200 0.600 0.600 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.80506E-02 ppm1 4.280 ppm2 2.084 CV 1 ASSI { 1372} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 57 and name HB )) 2.400 2.400 3.600 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.15837E-01 ppm1 4.185 ppm2 2.034 CV 1 ASSI { 1374} (( segid "A " and resid 137 and name HA )) (( segid "A " and resid 137 and name HG1 )) 2.800 1.000 1.000 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.38763E-02 ppm1 4.092 ppm2 2.925 CV 1 ASSI { 1376} (( segid "A " and resid 137 and name HA )) ( segid "A " and resid 140 and name HB% ) 2.800 1.000 1.000 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.35650E-02 ppm1 4.085 ppm2 1.478 CV 1 ASSI { 1377} (( segid "A " and resid 93 and name HA )) (( segid "A " and resid 93 and name HB2 )) 2.100 0.500 0.500 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.15043E-01 ppm1 3.942 ppm2 1.821 CV 1 ASSI { 1378} (( segid "A " and resid 93 and name HA )) (( segid "A " and resid 93 and name HD2 )) 4.200 2.200 1.800 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.24315E-02 ppm1 3.943 ppm2 1.646 CV 1 ASSI { 1379} (( segid "A " and resid 93 and name HA )) (( segid "A " and resid 93 and name HG2 )) 3.000 1.100 1.100 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.38335E-02 ppm1 3.942 ppm2 1.412 CV 1 ASSI { 1385} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 67 and name HG1 )) 2.800 1.000 1.000 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.49014E-02 ppm1 4.189 ppm2 2.962 CV 1 ASSI { 1386} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 67 and name HB2 )) 2.800 0.900 0.900 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.34643E-02 ppm1 4.191 ppm2 2.542 CV 1 ASSI { 1387} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 67 and name HG2 )) 2.200 0.600 0.600 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.90659E-02 ppm1 4.188 ppm2 2.407 CV 1 ASSI { 1391} (( segid "A " and resid 67 and name HA )) ( segid "A " and resid 70 and name HB% ) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.40624E-02 ppm1 4.191 ppm2 1.518 CV 1 ASSI { 1394} (( segid "A " and resid 51 and name HA )) ( segid "A " and resid 51 and name HD2%) 2.600 0.900 0.900 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.88247E-02 ppm1 4.042 ppm2 0.823 CV 1 OR { 1394} (( segid "A " and resid 51 and name HA )) ( segid "A " and resid 51 and name HD1%) ASSI { 1397} (( segid "A " and resid 32 and name HA )) (( segid "A " and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 1397 spectrum 1 weight 0.11000E+01 volume 0.43374E-02 ppm1 3.858 ppm2 1.928 CV 1 ASSI { 1410} (( segid "A " and resid 15 and name HA )) (( segid "A " and resid 15 and name HB2 )) 2.100 0.500 0.500 peak 1410 spectrum 1 weight 0.11000E+01 volume 0.56753E-02 ppm1 4.219 ppm2 2.086 CV 1 ASSI { 1412} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HG1 )) 2.800 1.000 1.000 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.63332E-02 ppm1 4.154 ppm2 2.308 CV 1 OR { 1412} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HB1 )) OR { 1412} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HG2 )) ASSI { 1413} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 124 and name HB2 )) 2.000 0.500 0.500 peak 1413 spectrum 1 weight 0.11000E+01 volume 0.15609E-01 ppm1 4.149 ppm2 2.126 CV 1 ASSI { 1417} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HB1 )) 2.700 0.900 0.900 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.41597E-02 ppm1 4.050 ppm2 2.014 CV 1 ASSI { 1418} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 1418 spectrum 1 weight 0.11000E+01 volume 0.42287E-02 ppm1 4.049 ppm2 1.856 CV 1 ASSI { 1419} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HG1 )) 3.600 1.600 1.600 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.22696E-02 ppm1 4.042 ppm2 2.419 CV 1 ASSI { 1420} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HG2 )) 4.700 2.800 1.300 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.92351E-03 ppm1 4.045 ppm2 2.372 CV 1 ASSI { 1421} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HB2 )) 2.800 1.000 1.000 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.22359E-02 ppm1 4.046 ppm2 2.162 CV 1 ASSI { 1423} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 18 and name HG1 )) 4.100 2.100 1.900 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.69812E-03 ppm1 3.999 ppm2 2.722 CV 1 ASSI { 1424} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 18 and name HG2 )) 3.600 1.600 1.600 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.93279E-03 ppm1 3.999 ppm2 2.532 CV 1 ASSI { 1425} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 18 and name HB1 )) 2.900 1.100 1.100 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.24400E-02 ppm1 3.997 ppm2 2.153 CV 1 ASSI { 1428} (( segid "A " and resid 18 and name HA )) ( segid "A " and resid 18 and name HE% ) 3.700 1.700 1.700 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.10877E-02 ppm1 3.933 ppm2 2.048 CV 1 ASSI { 1435} (( segid "A " and resid 57 and name HG12)) ( segid "A " and resid 57 and name HD1%) 2.500 0.800 0.800 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.60528E-02 ppm1 1.433 ppm2 1.001 CV 1 OR { 1435} (( segid "A " and resid 57 and name HG12)) ( segid "A " and resid 57 and name HG2%) ASSI { 1436} (( segid "A " and resid 116 and name HG12)) (( segid "A " and resid 116 and name HG11)) 1.600 0.300 0.600 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.15999E-01 ppm1 1.403 ppm2 1.180 CV 1 ASSI { 1437} (( segid "A " and resid 116 and name HG12)) ( segid "A " and resid 116 and name HD1%) 2.500 0.800 0.800 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.76774E-02 ppm1 1.400 ppm2 0.834 CV 1 OR { 1437} (( segid "A " and resid 116 and name HG12)) ( segid "A " and resid 116 and name HG2%) ASSI { 1438} (( segid "A " and resid 116 and name HG11)) ( segid "A " and resid 116 and name HD1%) 2.200 0.600 0.600 peak 1438 spectrum 1 weight 0.11000E+01 volume 0.18646E-01 ppm1 1.178 ppm2 0.830 CV 1 OR { 1438} (( segid "A " and resid 116 and name HG11)) ( segid "A " and resid 116 and name HG2%) ASSI { 1440} (( segid "A " and resid 36 and name HG )) ( segid "A " and resid 36 and name HD2%) 2.200 0.600 0.600 peak 1440 spectrum 1 weight 0.11000E+01 volume 0.10317E-01 ppm1 1.875 ppm2 0.792 CV 1 OR { 1440} (( segid "A " and resid 36 and name HG )) ( segid "A " and resid 36 and name HD1%) ASSI { 1441} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 125 and name HG12)) 1.600 0.300 0.600 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.10478E-01 ppm1 1.666 ppm2 1.159 CV 1 ASSI { 1445} (( segid "A " and resid 63 and name HG12)) ( segid "A " and resid 63 and name HG2%) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.15961E-02 ppm1 1.601 ppm2 1.261 CV 1 ASSI { 1450} (( segid "A " and resid 63 and name HG11)) ( segid "A " and resid 63 and name HD1%) 1.900 0.500 0.500 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.13071E-01 ppm1 1.066 ppm2 0.927 CV 1 ASSI { 1453} (( segid "A " and resid 15 and name HG )) ( segid "A " and resid 19 and name HD1%) 3.600 1.700 1.700 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.17584E-02 ppm1 1.785 ppm2 0.725 CV 1 OR { 1453} (( segid "A " and resid 15 and name HG )) (( segid "A " and resid 19 and name HG11)) ASSI { 1454} (( segid "A " and resid 15 and name HG )) ( segid "A " and resid 15 and name HD1%) 2.100 0.600 0.600 peak 1454 spectrum 1 weight 0.11000E+01 volume 0.95739E-02 ppm1 1.782 ppm2 1.030 CV 1 ASSI { 1456} (( segid "A " and resid 99 and name HG12)) ( segid "A " and resid 99 and name HG2%) 2.500 0.800 0.800 peak 1456 spectrum 1 weight 0.11000E+01 volume 0.17288E-02 ppm1 1.116 ppm2 0.800 CV 1 ASSI { 1461} (( segid "A " and resid 69 and name HG12)) ( segid "A " and resid 69 and name HD1%) 2.600 0.900 0.900 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.29771E-02 ppm1 1.179 ppm2 0.671 CV 1 ASSI { 1462} (( segid "A " and resid 99 and name HG12)) (( segid "A " and resid 99 and name HG11)) 1.500 0.300 0.700 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.14885E-01 ppm1 1.122 ppm2 0.173 CV 1 OR { 1462} (( segid "A " and resid 99 and name HG12)) ( segid "A " and resid 99 and name HD1%) ASSI { 1464} (( segid "A " and resid 151 and name HG11)) ( segid "A " and resid 151 and name HD1%) 4.100 2.100 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.30361E-03 ppm1 1.478 ppm2 0.844 CV 1 ASSI { 1465} (( segid "A " and resid 32 and name HG )) ( segid "A " and resid 48 and name HG2%) 1.900 1.900 4.100 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.17707E-01 ppm1 1.540 ppm2 0.782 CV 1 OR { 1465} (( segid "A " and resid 32 and name HG )) ( segid "A " and resid 48 and name HD1%) ASSI { 1466} (( segid "A " and resid 133 and name HG12)) (( segid "A " and resid 133 and name HG11)) 1.200 0.200 1.000 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.17543E-01 ppm1 1.393 ppm2 1.019 CV 1 ASSI { 1468} (( segid "A " and resid 133 and name HG11)) ( segid "A " and resid 104 and name HD1%) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.45700E-03 ppm1 1.012 ppm2 0.593 CV 1 ASSI { 1475} (( segid "A " and resid 32 and name HG )) ( segid "A " and resid 48 and name HG2%) 2.200 0.600 0.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.68893E-02 ppm1 1.499 ppm2 0.779 CV 1 OR { 1475} (( segid "A " and resid 32 and name HG )) (( segid "A " and resid 48 and name HG11)) OR { 1475} (( segid "A " and resid 32 and name HG )) ( segid "A " and resid 48 and name HD1%) ASSI { 1476} (( segid "A " and resid 133 and name HG12)) ( segid "A " and resid 125 and name HG2%) 2.300 2.300 3.700 peak 1476 spectrum 1 weight 0.11000E+01 volume 0.11695E-02 ppm1 1.414 ppm2 0.909 CV 1 ASSI { 1581} ( segid "A " and resid 55 and name HB% ) ( segid "A " and resid 63 and name HD1%) 2.800 2.800 3.200 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.65244E-02 ppm1 1.354 ppm2 0.924 CV 1 ASSI { 1582} ( segid "A " and resid 55 and name HB% ) ( segid "A " and resid 51 and name HD1%) 3.200 1.300 1.300 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.24548E-02 ppm1 1.350 ppm2 0.799 CV 1 OR { 1582} ( segid "A " and resid 55 and name HB% ) ( segid "A " and resid 51 and name HD2%) ASSI { 1602} ( segid "A " and resid 70 and name HB% ) ( segid "A " and resid 57 and name HD1%) 3.700 1.700 1.700 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.73023E-03 ppm1 1.522 ppm2 0.970 CV 1 ASSI { 1604} ( segid "A " and resid 54 and name HB% ) ( segid "A " and resid 51 and name HD1%) 4.300 4.300 1.700 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.11982E-02 ppm1 1.380 ppm2 0.860 CV 1 ASSI { 1605} ( segid "A " and resid 63 and name HG2%) ( segid "A " and resid 63 and name HD1%) 2.000 2.000 4.000 peak 1605 spectrum 1 weight 0.11000E+01 volume 0.93497E-02 ppm1 1.264 ppm2 0.929 CV 1 ASSI { 1607} ( segid "A " and resid 133 and name HG2%) ( segid "A " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.41887E-02 ppm1 1.207 ppm2 0.912 CV 1 ASSI { 1609} ( segid "A " and resid 133 and name HG2%) ( segid "A " and resid 99 and name HD1%) 2.800 2.800 3.200 peak 1609 spectrum 1 weight 0.11000E+01 volume 0.28254E-02 ppm1 1.208 ppm2 0.177 CV 1 OR { 1609} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 99 and name HG11)) ASSI { 1616} ( segid "A " and resid 52 and name HE% ) ( segid "A " and resid 48 and name HG2%) 3.300 1.400 1.400 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.39506E-02 ppm1 2.036 ppm2 0.785 CV 1 ASSI { 1617} ( segid "A " and resid 87 and name HB% ) ( segid "A " and resid 99 and name HG2%) 6.000 6.000 0.000 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.23112E-03 ppm1 1.844 ppm2 0.800 CV 1 ASSI { 1618} ( segid "A " and resid 87 and name HB% ) ( segid "A " and resid 84 and name HD1%) 3.200 3.200 2.800 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.26486E-02 ppm1 1.840 ppm2 0.932 CV 1 ASSI { 1621} ( segid "A " and resid 54 and name HB% ) ( segid "A " and resid 51 and name HD2%) 4.100 4.100 1.900 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.14767E-02 ppm1 1.296 ppm2 0.792 CV 1 OR { 1621} ( segid "A " and resid 54 and name HB% ) ( segid "A " and resid 51 and name HD1%) ASSI { 1636} ( segid "A " and resid 18 and name HE% ) ( segid "A " and resid 15 and name HD1%) 3.700 1.700 1.700 peak 1636 spectrum 1 weight 0.11000E+01 volume 0.19273E-02 ppm1 2.034 ppm2 1.044 CV 1 ASSI { 1639} ( segid "A " and resid 18 and name HE% ) ( segid "A " and resid 19 and name HD1%) 4.100 4.100 1.900 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.16479E-02 ppm1 2.031 ppm2 0.740 CV 1 OR { 1639} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 19 and name HG11)) ASSI { 1643} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 104 and name HG11)) 2.200 2.200 3.800 peak 1643 spectrum 1 weight 0.11000E+01 volume 0.13954E-02 ppm1 1.652 ppm2 0.676 CV 1 ASSI { 1647} ( segid "A " and resid 142 and name HE% ) ( segid "A " and resid 84 and name HD1%) 2.800 2.800 3.200 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.69506E-02 ppm1 1.846 ppm2 0.937 CV 1 ASSI { 1650} ( segid "A " and resid 141 and name HE% ) ( segid "A " and resid 125 and name HG2%) 2.800 1.000 1.000 peak 1650 spectrum 1 weight 0.11000E+01 volume 0.21906E-02 ppm1 1.653 ppm2 0.931 CV 1 ASSI { 1660} (( segid "A " and resid 78 and name HB2 )) ( segid "A " and resid 78 and name HD1%) 2.600 2.600 3.400 peak 1660 spectrum 1 weight 0.11000E+01 volume 0.63172E-02 ppm1 1.660 ppm2 0.891 CV 1 ASSI { 1711} (( segid "A " and resid 134 and name HB1 )) ( segid "A " and resid 133 and name HG2%) 5.200 5.200 0.800 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.53303E-03 ppm1 3.010 ppm2 1.230 CV 1 ASSI { 1712} (( segid "A " and resid 123 and name HE2 )) (( segid "A " and resid 122 and name HG11)) 2.800 2.800 3.200 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.28804E-03 ppm1 3.040 ppm2 1.029 CV 1 ASSI { 1714} (( segid "A " and resid 49 and name HE2 )) (( segid "A " and resid 49 and name HD1 )) 2.700 0.900 0.900 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.68010E-02 ppm1 2.797 ppm2 1.340 CV 1 OR { 1714} (( segid "A " and resid 49 and name HE2 )) (( segid "A " and resid 49 and name HG1 )) ASSI { 1719} (( segid "A " and resid 75 and name HB2 )) ( segid "A " and resid 75 and name HD2%) 3.200 1.300 1.300 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.24248E-02 ppm1 1.599 ppm2 0.749 CV 1 OR { 1719} (( segid "A " and resid 75 and name HB1 )) ( segid "A " and resid 75 and name HD2%) ASSI { 1720} (( segid "A " and resid 75 and name HB2 )) ( segid "A " and resid 75 and name HD2%) 2.700 0.900 0.900 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.75352E-02 ppm1 1.536 ppm2 0.748 CV 1 ASSI { 1723} (( segid "A " and resid 64 and name HB2 )) ( segid "A " and resid 26 and name HG2%) 2.200 2.200 3.800 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.13445E-02 ppm1 3.359 ppm2 1.182 CV 1 ASSI { 1724} (( segid "A " and resid 98 and name HB2 )) ( segid "A " and resid 100 and name HG2%) 3.200 1.300 1.300 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.15204E-02 ppm1 2.587 ppm2 1.290 CV 1 ASSI { 1727} (( segid "A " and resid 15 and name HB1 )) ( segid "A " and resid 15 and name HD1%) 2.900 1.100 1.100 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.52894E-02 ppm1 1.865 ppm2 1.032 CV 1 ASSI { 1728} (( segid "A " and resid 51 and name HB2 )) ( segid "A " and resid 51 and name HD2%) 3.300 1.400 1.400 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.15397E-02 ppm1 1.839 ppm2 0.813 CV 1 OR { 1728} (( segid "A " and resid 51 and name HB2 )) ( segid "A " and resid 51 and name HD1%) ASSI { 1729} (( segid "A " and resid 51 and name HB1 )) ( segid "A " and resid 51 and name HD2%) 2.500 2.500 3.500 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.81334E-02 ppm1 1.753 ppm2 0.788 CV 1 ASSI { 1731} (( segid "A " and resid 33 and name HE1 )) (( segid "A " and resid 33 and name HG2 )) 2.100 2.100 3.900 peak 1731 spectrum 1 weight 0.11000E+01 volume 0.52330E-02 ppm1 2.644 ppm2 1.187 CV 1 ASSI { 1733} (( segid "A " and resid 32 and name HB2 )) ( segid "A " and resid 48 and name HG2%) 3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.41096E-02 ppm1 1.927 ppm2 0.790 CV 1 OR { 1733} (( segid "A " and resid 32 and name HB2 )) ( segid "A " and resid 48 and name HD1%) ASSI { 1736} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 33 and name HG2 )) 3.000 1.100 1.100 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.21625E-02 ppm1 2.835 ppm2 1.216 CV 1 ASSI { 1738} (( segid "A " and resid 91 and name HB2 )) ( segid "A " and resid 99 and name HD1%) 2.500 0.800 0.800 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.48887E-02 ppm1 2.633 ppm2 0.166 CV 1 ASSI { 1740} (( segid "A " and resid 91 and name HB1 )) ( segid "A " and resid 99 and name HD1%) 2.200 0.600 0.600 peak 1740 spectrum 1 weight 0.11000E+01 volume 0.32935E-02 ppm1 2.589 ppm2 0.179 CV 1 ASSI { 1742} (( segid "A " and resid 119 and name HB2 )) ( segid "A " and resid 118 and name HG2%) 3.500 3.500 2.500 peak 1742 spectrum 1 weight 0.11000E+01 volume 0.27287E-02 ppm1 2.687 ppm2 0.954 CV 1 ASSI { 1744} (( segid "A " and resid 126 and name HB2 )) ( segid "A " and resid 122 and name HG2%) 3.800 1.800 1.800 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.29703E-02 ppm1 2.902 ppm2 0.812 CV 1 ASSI { 1746} (( segid "A " and resid 126 and name HB1 )) ( segid "A " and resid 122 and name HG2%) 3.700 1.700 1.700 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.31564E-02 ppm1 2.493 ppm2 0.800 CV 1 ASSI { 1748} (( segid "A " and resid 138 and name HB2 )) ( segid "A " and resid 133 and name HG2%) 2.200 0.600 0.600 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.20592E-02 ppm1 3.332 ppm2 1.206 CV 1 ASSI { 1750} (( segid "A " and resid 27 and name HB )) ( segid "A " and resid 63 and name HG2%) 4.100 2.100 1.900 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.50661E-03 ppm1 1.771 ppm2 1.261 CV 1 ASSI { 1751} (( segid "A " and resid 27 and name HB )) (( segid "A " and resid 27 and name HG12)) 3.000 1.100 1.100 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.10990E-02 ppm1 1.770 ppm2 0.356 CV 1 ASSI { 1752} (( segid "A " and resid 27 and name HB )) (( segid "A " and resid 27 and name HG11)) 2.000 0.500 0.500 peak 1752 spectrum 1 weight 0.11000E+01 volume 0.28704E-02 ppm1 1.764 ppm2 0.955 CV 1 ASSI { 1753} (( segid "A " and resid 27 and name HB )) ( segid "A " and resid 27 and name HG2%) 1.800 1.800 4.200 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.82022E-02 ppm1 1.764 ppm2 0.870 CV 1 ASSI { 1756} (( segid "A " and resid 68 and name HB2 )) ( segid "A " and resid 63 and name HG2%) 2.400 2.400 3.600 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.21762E-02 ppm1 3.397 ppm2 1.265 CV 1 ASSI { 1759} (( segid "A " and resid 36 and name HB1 )) ( segid "A " and resid 36 and name HD2%) 2.500 0.800 0.800 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.10438E-01 ppm1 1.467 ppm2 0.789 CV 1 OR { 1759} (( segid "A " and resid 36 and name HB1 )) ( segid "A " and resid 36 and name HD1%) ASSI { 1761} (( segid "A " and resid 133 and name HB )) ( segid "A " and resid 133 and name HG2%) 2.000 0.500 0.500 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.42441E-02 ppm1 2.106 ppm2 1.211 CV 1 ASSI { 1762} (( segid "A " and resid 133 and name HB )) ( segid "A " and resid 99 and name HD1%) 3.800 1.800 1.800 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.16764E-03 ppm1 2.110 ppm2 0.176 CV 1 OR { 1762} (( segid "A " and resid 133 and name HB )) (( segid "A " and resid 99 and name HG11)) ASSI { 1766} (( segid "A " and resid 125 and name HB )) ( segid "A " and resid 125 and name HG2%) 2.100 2.100 3.900 peak 1766 spectrum 1 weight 0.11000E+01 volume 0.52507E-02 ppm1 1.811 ppm2 0.920 CV 1 ASSI { 1767} (( segid "A " and resid 99 and name HB )) (( segid "A " and resid 99 and name HG12)) 5.000 3.200 1.000 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.53601E-04 ppm1 1.706 ppm2 1.118 CV 1 ASSI { 1769} (( segid "A " and resid 99 and name HB )) (( segid "A " and resid 99 and name HG11)) 2.400 0.700 0.700 peak 1769 spectrum 1 weight 0.11000E+01 volume 0.24395E-02 ppm1 1.705 ppm2 0.179 CV 1 OR { 1769} (( segid "A " and resid 99 and name HB )) ( segid "A " and resid 99 and name HD1%) ASSI { 1774} (( segid "A " and resid 63 and name HB )) ( segid "A " and resid 27 and name HD1%) 3.600 1.600 1.600 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.34833E-03 ppm1 2.040 ppm2 0.114 CV 1 ASSI { 1777} (( segid "A " and resid 56 and name HB2 )) ( segid "A " and resid 63 and name HD1%) 3.700 1.700 1.700 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.28093E-03 ppm1 3.029 ppm2 0.926 CV 1 ASSI { 1778} (( segid "A " and resid 20 and name HB2 )) (( segid "A " and resid 27 and name HG12)) 4.000 2.000 2.000 peak 1778 spectrum 1 weight 0.11000E+01 volume 0.44709E-03 ppm1 2.525 ppm2 0.367 CV 1 ASSI { 1780} (( segid "A " and resid 92 and name HB1 )) ( segid "A " and resid 99 and name HD1%) 5.000 3.200 1.000 peak 1780 spectrum 1 weight 0.11000E+01 volume 0.41819E-03 ppm1 2.344 ppm2 0.176 CV 1 OR { 1780} (( segid "A " and resid 92 and name HB1 )) (( segid "A " and resid 99 and name HG11)) ASSI { 1781} (( segid "A " and resid 20 and name HB1 )) ( segid "A " and resid 27 and name HD1%) 4.100 2.100 1.900 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.11494E-02 ppm1 1.490 ppm2 0.108 CV 1 ASSI { 1782} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 27 and name HG11)) 3.400 1.400 1.400 peak 1782 spectrum 1 weight 0.11000E+01 volume 0.14297E-02 ppm1 1.484 ppm2 0.964 CV 1 ASSI { 1783} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 27 and name HG12)) 2.900 1.100 1.100 peak 1783 spectrum 1 weight 0.11000E+01 volume 0.10060E-02 ppm1 1.487 ppm2 0.352 CV 1 ASSI { 1784} (( segid "A " and resid 92 and name HB2 )) ( segid "A " and resid 99 and name HD1%) 2.900 1.000 1.000 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.14959E-02 ppm1 1.401 ppm2 0.167 CV 1 OR { 1784} (( segid "A " and resid 92 and name HB2 )) (( segid "A " and resid 99 and name HG11)) ASSI { 1785} (( segid "A " and resid 151 and name HB )) ( segid "A " and resid 151 and name HG2%) 2.500 0.800 0.800 peak 1785 spectrum 1 weight 0.11000E+01 volume 0.48073E-02 ppm1 1.901 ppm2 0.902 CV 1 ASSI { 1786} (( segid "A " and resid 57 and name HB )) ( segid "A " and resid 57 and name HG2%) 2.200 0.600 0.600 peak 1786 spectrum 1 weight 0.11000E+01 volume 0.12923E-01 ppm1 2.038 ppm2 0.999 CV 1 OR { 1786} (( segid "A " and resid 57 and name HB )) ( segid "A " and resid 57 and name HD1%) ASSI { 1787} (( segid "A " and resid 9 and name HB )) (( segid "A " and resid 9 and name HG11)) 4.000 2.000 2.000 peak 1787 spectrum 1 weight 0.11000E+01 volume 0.39088E-03 ppm1 1.972 ppm2 1.187 CV 1 ASSI { 1788} (( segid "A " and resid 9 and name HB )) ( segid "A " and resid 9 and name HG2%) 2.500 0.800 0.800 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.54366E-02 ppm1 1.966 ppm2 0.979 CV 1 ASSI { 1792} (( segid "A " and resid 19 and name HB )) ( segid "A " and resid 27 and name HD1%) 2.300 0.700 0.700 peak 1792 spectrum 1 weight 0.11000E+01 volume 0.26786E-02 ppm1 1.476 ppm2 0.115 CV 1 ASSI { 1796} (( segid "A " and resid 118 and name HB )) ( segid "A " and resid 118 and name HG2%) 2.000 2.000 4.000 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.11141E-01 ppm1 1.918 ppm2 0.954 CV 1 ASSI { 1797} (( segid "A " and resid 118 and name HB )) ( segid "A " and resid 118 and name HD1%) 2.700 2.700 3.300 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.89036E-02 ppm1 1.918 ppm2 0.833 CV 1 ASSI { 1798} (( segid "A " and resid 67 and name HG1 )) ( segid "A " and resid 63 and name HG2%) 5.500 3.800 0.500 peak 1798 spectrum 1 weight 0.11000E+01 volume 0.31371E-03 ppm1 2.964 ppm2 1.258 CV 1 ASSI { 1804} (( segid "A " and resid 31 and name HG1 )) ( segid "A " and resid 27 and name HG2%) 6.000 6.000 0.000 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.16137E-03 ppm1 2.495 ppm2 0.822 CV 1 ASSI { 1805} (( segid "A " and resid 31 and name HG1 )) ( segid "A " and resid 21 and name HG2%) 4.600 2.600 1.400 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.44917E-03 ppm1 2.488 ppm2 1.286 CV 1 ASSI { 1806} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 69 and name HG12)) 2.400 0.700 0.700 peak 1806 spectrum 1 weight 0.11000E+01 volume 0.50126E-02 ppm1 1.821 ppm2 1.144 CV 1 OR { 1806} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 69 and name HG11)) ASSI { 1807} (( segid "A " and resid 69 and name HB )) ( segid "A " and resid 69 and name HG2%) 2.200 0.600 0.600 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.87300E-02 ppm1 1.823 ppm2 0.726 CV 1 ASSI { 1808} (( segid "A " and resid 31 and name HG2 )) ( segid "A " and resid 27 and name HG2%) 4.500 4.500 1.500 peak 1808 spectrum 1 weight 0.11000E+01 volume 0.10040E-02 ppm1 2.402 ppm2 0.859 CV 1 ASSI { 1810} (( segid "A " and resid 8 and name HG2 )) ( segid "A " and resid 9 and name HD1%) 4.700 2.800 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.41198E-03 ppm1 2.319 ppm2 0.868 CV 1 ASSI { 1820} (( segid "A " and resid 88 and name HA )) ( segid "A " and resid 99 and name HD1%) 4.200 2.200 1.800 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.56619E-03 ppm1 3.244 ppm2 0.183 CV 1 OR { 1820} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 99 and name HG11)) ASSI { 1821} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 19 and name HG11)) 3.000 1.100 1.100 peak 1821 spectrum 1 weight 0.11000E+01 volume 0.20113E-02 ppm1 3.110 ppm2 0.722 CV 1 OR { 1821} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 19 and name HD1%) ASSI { 1822} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 27 and name HD1%) 2.900 1.100 1.100 peak 1822 spectrum 1 weight 0.11000E+01 volume 0.19930E-02 ppm1 3.109 ppm2 0.106 CV 1 ASSI { 1824} (( segid "A " and resid 141 and name HB1 )) ( segid "A " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 1824 spectrum 1 weight 0.11000E+01 volume 0.16283E-02 ppm1 2.011 ppm2 0.912 CV 1 ASSI { 1825} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HG2 )) 2.300 0.700 0.700 peak 1825 spectrum 1 weight 0.11000E+01 volume 0.73458E-02 ppm1 1.551 ppm2 1.237 CV 1 ASSI { 1826} (( segid "A " and resid 33 and name HB2 )) ( segid "A " and resid 48 and name HD1%) 4.600 2.600 1.400 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.63771E-03 ppm1 1.548 ppm2 0.776 CV 1 OR { 1826} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 48 and name HG11)) ASSI { 1827} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HG2 )) 1.700 1.700 4.300 peak 1827 spectrum 1 weight 0.11000E+01 volume 0.12473E-01 ppm1 1.397 ppm2 1.231 CV 1 ASSI { 1828} (( segid "A " and resid 33 and name HB1 )) ( segid "A " and resid 48 and name HD1%) 2.400 0.700 0.700 peak 1828 spectrum 1 weight 0.11000E+01 volume 0.25349E-02 ppm1 1.398 ppm2 0.767 CV 1 OR { 1828} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 48 and name HG11)) ASSI { 1832} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HG1 )) 2.300 0.600 0.600 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.55045E-02 ppm1 2.032 ppm2 1.334 CV 1 OR { 1832} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HD1 )) ASSI { 1835} (( segid "A " and resid 132 and name HB1 )) ( segid "A " and resid 100 and name HG2%) 4.700 2.800 1.300 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.22317E-03 ppm1 1.823 ppm2 1.288 CV 1 ASSI { 1836} (( segid "A " and resid 39 and name HB )) ( segid "A " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 1836 spectrum 1 weight 0.11000E+01 volume 0.72969E-02 ppm1 2.501 ppm2 1.055 CV 1 ASSI { 1838} (( segid "A " and resid 73 and name HB )) ( segid "A " and resid 73 and name HG1%) 2.200 0.600 0.600 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.13018E-01 ppm1 1.948 ppm2 0.814 CV 1 ASSI { 1839} (( segid "A " and resid 73 and name HB )) ( segid "A " and resid 73 and name HG2%) 2.300 0.700 0.700 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.95971E-02 ppm1 1.948 ppm2 0.714 CV 1 ASSI { 1850} (( segid "A " and resid 38 and name HB1 )) ( segid "A " and resid 39 and name HG1%) 5.700 4.000 0.300 peak 1850 spectrum 1 weight 0.11000E+01 volume 0.95168E-04 ppm1 1.965 ppm2 0.839 CV 1 ASSI { 1853} (( segid "A " and resid 137 and name HB2 )) ( segid "A " and resid 133 and name HG2%) 2.500 2.500 3.500 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.39311E-02 ppm1 2.614 ppm2 1.208 CV 1 ASSI { 1854} (( segid "A " and resid 137 and name HB2 )) ( segid "A " and resid 125 and name HG2%) 5.700 4.100 0.300 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.16963E-03 ppm1 2.610 ppm2 0.939 CV 1 ASSI { 1856} (( segid "A " and resid 137 and name HB1 )) ( segid "A " and resid 133 and name HG2%) 2.800 2.800 3.200 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.26847E-02 ppm1 2.095 ppm2 1.212 CV 1 ASSI { 1857} (( segid "A " and resid 42 and name HB1 )) ( segid "A " and resid 43 and name HD1%) 5.100 5.100 0.900 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.66174E-03 ppm1 1.873 ppm2 0.787 CV 1 OR { 1857} (( segid "A " and resid 42 and name HB1 )) ( segid "A " and resid 43 and name HD2%) ASSI { 1859} (( segid "A " and resid 31 and name HB2 )) ( segid "A " and resid 27 and name HG2%) 2.900 2.900 3.100 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.30326E-02 ppm1 2.349 ppm2 0.853 CV 1 ASSI { 1862} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 48 and name HG11)) 1.300 0.200 0.900 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.34807E-01 ppm1 1.810 ppm2 0.749 CV 1 OR { 1862} (( segid "A " and resid 48 and name HG12)) ( segid "A " and resid 48 and name HD1%) OR { 1862} (( segid "A " and resid 48 and name HG12)) ( segid "A " and resid 48 and name HG2%) ASSI { 1863} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 33 and name HG2 )) 2.100 0.500 0.500 peak 1863 spectrum 1 weight 0.11000E+01 volume 0.48155E-02 ppm1 1.552 ppm2 1.233 CV 1 ASSI { 1864} (( segid "A " and resid 33 and name HD2 )) ( segid "A " and resid 48 and name HD1%) 5.900 4.400 0.100 peak 1864 spectrum 1 weight 0.11000E+01 volume 0.34672E-03 ppm1 1.552 ppm2 0.763 CV 1 ASSI { 1865} (( segid "A " and resid 33 and name HD1 )) ( segid "A " and resid 48 and name HD1%) 5.600 3.900 0.400 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.45867E-03 ppm1 1.477 ppm2 0.771 CV 1 ASSI { 1866} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 33 and name HG2 )) 2.600 0.900 0.900 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.46410E-02 ppm1 1.472 ppm2 1.242 CV 1 ASSI { 1869} (( segid "A " and resid 103 and name HB2 )) ( segid "A " and resid 99 and name HG2%) 2.700 0.900 0.900 peak 1869 spectrum 1 weight 0.11000E+01 volume 0.88186E-03 ppm1 2.577 ppm2 0.799 CV 1 ASSI { 1870} (( segid "A " and resid 103 and name HB1 )) ( segid "A " and resid 99 and name HG2%) 3.300 1.300 1.300 peak 1870 spectrum 1 weight 0.11000E+01 volume 0.41816E-03 ppm1 2.512 ppm2 0.800 CV 1 ASSI { 1872} (( segid "A " and resid 104 and name HG12)) (( segid "A " and resid 104 and name HG11)) 1.100 0.100 1.100 peak 1872 spectrum 1 weight 0.11000E+01 volume 0.29523E-01 ppm1 1.714 ppm2 0.669 CV 1 ASSI { 1877} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 19 and name HG11)) 1.400 0.200 0.800 peak 1877 spectrum 1 weight 0.11000E+01 volume 0.28562E-01 ppm1 1.885 ppm2 0.735 CV 1 OR { 1877} (( segid "A " and resid 19 and name HG12)) ( segid "A " and resid 19 and name HD1%) ASSI { 1882} (( segid "A " and resid 118 and name HG11)) ( segid "A " and resid 118 and name HG2%) 4.600 2.700 1.400 peak 1882 spectrum 1 weight 0.11000E+01 volume 0.10230E-03 ppm1 1.724 ppm2 0.960 CV 1 ASSI { 1884} (( segid "A " and resid 9 and name HG12)) ( segid "A " and resid 9 and name HD1%) 2.900 1.100 1.100 peak 1884 spectrum 1 weight 0.11000E+01 volume 0.26029E-02 ppm1 1.608 ppm2 0.860 CV 1 ASSI { 1887} (( segid "A " and resid 49 and name HD2 )) (( segid "A " and resid 49 and name HD1 )) 1.500 0.300 0.700 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.28198E-01 ppm1 1.564 ppm2 1.347 CV 1 OR { 1887} (( segid "A " and resid 49 and name HD2 )) (( segid "A " and resid 49 and name HG1 )) ASSI { 1889} (( segid "A " and resid 9 and name HG11)) ( segid "A " and resid 9 and name HG2%) 4.600 2.600 1.400 peak 1889 spectrum 1 weight 0.11000E+01 volume 0.47791E-03 ppm1 1.189 ppm2 0.969 CV 1 ASSI { 1893} (( segid "A " and resid 9 and name HG11)) ( segid "A " and resid 9 and name HD1%) 3.100 1.200 1.200 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.17778E-02 ppm1 1.191 ppm2 0.849 CV 1 ASSI { 1895} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HG2 )) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.47903E-02 ppm1 3.268 ppm2 1.651 CV 1 ASSI { 1902} (( segid "A " and resid 154 and name HD2 )) (( segid "A " and resid 154 and name HB1 )) 2.800 1.000 1.000 peak 1902 spectrum 1 weight 0.11000E+01 volume 0.73518E-02 ppm1 3.191 ppm2 1.733 CV 1 ASSI { 1903} (( segid "A " and resid 154 and name HD2 )) (( segid "A " and resid 154 and name HB2 )) 2.700 0.900 0.900 peak 1903 spectrum 1 weight 0.11000E+01 volume 0.74676E-02 ppm1 3.193 ppm2 1.868 CV 1 ASSI { 1904} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HG1 )) 2.600 0.800 0.800 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.36264E-02 ppm1 3.254 ppm2 1.851 CV 1 ASSI { 1905} (( segid "A " and resid 137 and name HG1 )) (( segid "A " and resid 137 and name HB1 )) 3.000 1.100 1.100 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.28986E-02 ppm1 2.933 ppm2 2.094 CV 1 ASSI { 1909} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 93 and name HG1 )) 2.900 1.000 1.000 peak 1909 spectrum 1 weight 0.11000E+01 volume 0.44657E-02 ppm1 2.938 ppm2 1.426 CV 1 OR { 1909} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 93 and name HG2 )) ASSI { 1914} (( segid "A " and resid 33 and name HE1 )) (( segid "A " and resid 33 and name HD2 )) 2.500 0.800 0.800 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.36245E-02 ppm1 2.644 ppm2 1.526 CV 1 OR { 1914} (( segid "A " and resid 33 and name HE1 )) (( segid "A " and resid 33 and name HD1 )) OR { 1914} (( segid "A " and resid 33 and name HE1 )) (( segid "A " and resid 33 and name HB2 )) ASSI { 1915} (( segid "A " and resid 98 and name HB2 )) (( segid "A " and resid 132 and name HB2 )) 3.000 3.000 3.000 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.67885E-02 ppm1 2.588 ppm2 1.851 CV 1 OR { 1915} (( segid "A " and resid 98 and name HB2 )) (( segid "A " and resid 132 and name HG1 )) ASSI { 1917} (( segid "A " and resid 20 and name HB2 )) (( segid "A " and resid 20 and name HB1 )) 1.500 0.300 0.700 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.23769E-01 ppm1 2.529 ppm2 1.488 CV 1 ASSI { 1918} (( segid "A " and resid 67 and name HG2 )) (( segid "A " and resid 57 and name HG12)) 3.400 1.400 1.400 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.17581E-02 ppm1 2.413 ppm2 1.433 CV 1 ASSI { 1919} (( segid "A " and resid 44 and name HG2 )) (( segid "A " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.44697E-02 ppm1 2.837 ppm2 2.094 CV 1 ASSI { 1920} (( segid "A " and resid 44 and name HG2 )) (( segid "A " and resid 44 and name HB1 )) 2.700 0.900 0.900 peak 1920 spectrum 1 weight 0.11000E+01 volume 0.26927E-02 ppm1 2.837 ppm2 2.374 CV 1 ASSI { 1942} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 122 and name HA )) 5.100 3.300 0.900 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.82021E-04 ppm1 1.663 ppm2 3.589 CV 1 ASSI { 1948} (( segid "A " and resid 101 and name HG )) (( segid "A " and resid 101 and name HA )) 3.200 1.300 1.300 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.15963E-02 ppm1 1.619 ppm2 3.880 CV 1 ASSI { 1955} (( segid "A " and resid 69 and name HG12)) (( segid "A " and resid 69 and name HA )) 3.400 1.400 1.400 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.83460E-03 ppm1 1.179 ppm2 3.600 CV 1 ASSI { 1956} (( segid "A " and resid 69 and name HG11)) (( segid "A " and resid 69 and name HA )) 3.900 1.900 1.900 peak 1956 spectrum 1 weight 0.11000E+01 volume 0.89003E-03 ppm1 1.095 ppm2 3.610 CV 1 ASSI { 1982} (( segid "A " and resid 123 and name HG1 )) (( segid "A " and resid 123 and name HA )) 3.700 1.700 1.700 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.99050E-03 ppm1 1.651 ppm2 4.116 CV 1 ASSI { 1983} (( segid "A " and resid 123 and name HG2 )) (( segid "A " and resid 123 and name HA )) 3.400 1.400 1.400 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.18181E-02 ppm1 1.517 ppm2 4.116 CV 1 ASSI { 1984} (( segid "A " and resid 12 and name HG )) (( segid "A " and resid 12 and name HA )) 3.300 1.400 1.400 peak 1984 spectrum 1 weight 0.11000E+01 volume 0.74472E-03 ppm1 1.660 ppm2 4.375 CV 1 ASSI { 1985} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 15 and name HA )) 4.800 2.900 1.200 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.39659E-03 ppm1 1.033 ppm2 4.212 CV 1 ASSI { 1988} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 17 and name HA )) 3.700 1.700 1.700 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.19872E-02 ppm1 1.741 ppm2 3.954 CV 1 ASSI { 1989} (( segid "A " and resid 17 and name HG2 )) (( segid "A " and resid 17 and name HA )) 3.800 1.800 1.800 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.22244E-02 ppm1 1.575 ppm2 3.962 CV 1 ASSI { 1992} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HA )) 3.000 1.200 1.200 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.14448E-02 ppm1 1.310 ppm2 3.968 CV 1 ASSI { 1996} (( segid "A " and resid 59 and name HG1 )) (( segid "A " and resid 59 and name HA )) 2.900 1.100 1.100 peak 1996 spectrum 1 weight 0.11000E+01 volume 0.28320E-02 ppm1 1.449 ppm2 3.905 CV 1 ASSI { 1998} (( segid "A " and resid 37 and name HG1 )) (( segid "A " and resid 37 and name HA )) 3.400 1.500 1.500 peak 1998 spectrum 1 weight 0.11000E+01 volume 0.21102E-02 ppm1 1.570 ppm2 4.146 CV 1 ASSI { 2000} (( segid "A " and resid 144 and name HG2 )) (( segid "A " and resid 144 and name HA )) 3.400 1.500 1.500 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.12760E-02 ppm1 1.465 ppm2 4.230 CV 1 ASSI { 2011} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 15 and name HA )) 2.500 0.800 0.800 peak 2011 spectrum 1 weight 0.11000E+01 volume 0.35422E-02 ppm1 1.025 ppm2 4.218 CV 1 ASSI { 2018} ( segid "A " and resid 21 and name HG2%) (( segid "A " and resid 35 and name HA1 )) 5.400 5.400 0.600 peak 2018 spectrum 1 weight 0.11000E+01 volume 0.28019E-03 ppm1 1.277 ppm2 3.670 CV 1 ASSI { 2020} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 61 and name HA1 )) 3.000 3.000 3.000 peak 2020 spectrum 1 weight 0.11000E+01 volume 0.19061E-03 ppm1 1.095 ppm2 3.547 CV 1 ASSI { 2044} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 41 and name HB1 )) 5.600 4.000 0.400 peak 2044 spectrum 1 weight 0.11000E+01 volume 0.17980E-03 ppm1 1.048 ppm2 3.605 CV 1 ASSI { 2053} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 70 and name HA )) 2.200 0.600 0.600 peak 2053 spectrum 1 weight 0.11000E+01 volume 0.14484E-01 ppm1 1.524 ppm2 4.147 CV 1 ASSI { 2054} ( segid "A " and resid 71 and name HB% ) (( segid "A " and resid 72 and name HB )) 4.700 4.700 1.300 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.81974E-03 ppm1 1.439 ppm2 4.099 CV 1 ASSI { 2058} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 65 and name HA )) 6.000 4.700 0.000 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.98136E-04 ppm1 1.264 ppm2 3.631 CV 1 ASSI { 2062} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 52 and name HA )) 3.900 1.900 1.900 peak 2062 spectrum 1 weight 0.11000E+01 volume 0.73901E-03 ppm1 2.034 ppm2 3.986 CV 1 ASSI { 2063} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 62 and name HB )) 4.800 2.900 1.200 peak 2063 spectrum 1 weight 0.11000E+01 volume 0.59092E-03 ppm1 2.033 ppm2 3.805 CV 1 ASSI { 2064} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 61 and name HA1 )) 4.600 2.600 1.400 peak 2064 spectrum 1 weight 0.11000E+01 volume 0.89009E-03 ppm1 2.033 ppm2 3.555 CV 1 ASSI { 2068} ( segid "A " and resid 140 and name HB% ) (( segid "A " and resid 140 and name HA )) 2.100 0.600 0.600 peak 2068 spectrum 1 weight 0.11000E+01 volume 0.16948E-01 ppm1 1.479 ppm2 4.021 CV 1 ASSI { 2069} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 57 and name HA )) 2.700 0.900 0.900 peak 2069 spectrum 1 weight 0.11000E+01 volume 0.47694E-02 ppm1 1.030 ppm2 3.908 CV 1 ASSI { 2072} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 121 and name HA )) 5.700 4.100 0.300 peak 2072 spectrum 1 weight 0.11000E+01 volume 0.21291E-03 ppm1 1.940 ppm2 4.053 CV 1 ASSI { 2075} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 15 and name HA )) 5.100 3.200 0.900 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.49920E-03 ppm1 2.033 ppm2 4.208 CV 1 ASSI { 2077} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 118 and name HA )) 3.700 1.700 1.700 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.85573E-03 ppm1 1.938 ppm2 3.847 CV 1 ASSI { 2078} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 138 and name HA )) 4.300 2.300 1.700 peak 2078 spectrum 1 weight 0.11000E+01 volume 0.58021E-03 ppm1 1.660 ppm2 3.925 CV 1 ASSI { 2079} ( segid "A " and resid 142 and name HE% ) (( segid "A " and resid 143 and name HA )) 2.600 2.600 3.400 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.47775E-03 ppm1 1.846 ppm2 4.185 CV 1 ASSI { 2095} (( segid "A " and resid 75 and name HB2 )) (( segid "A " and resid 75 and name HA )) 3.900 1.900 1.900 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.70536E-03 ppm1 1.538 ppm2 4.252 CV 1 ASSI { 2096} (( segid "A " and resid 75 and name HB2 )) (( segid "A " and resid 72 and name HB )) 4.100 4.100 1.900 peak 2096 spectrum 1 weight 0.11000E+01 volume 0.74477E-03 ppm1 1.528 ppm2 4.140 CV 1 ASSI { 2100} (( segid "A " and resid 15 and name HB1 )) (( segid "A " and resid 15 and name HA )) 3.200 1.300 1.300 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.99665E-03 ppm1 1.866 ppm2 4.217 CV 1 ASSI { 2102} (( segid "A " and resid 51 and name HB2 )) (( segid "A " and resid 48 and name HA )) 4.100 2.100 1.900 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.25191E-03 ppm1 1.837 ppm2 3.593 CV 1 ASSI { 2103} (( segid "A " and resid 51 and name HB1 )) (( segid "A " and resid 48 and name HA )) 4.100 2.200 1.900 peak 2103 spectrum 1 weight 0.11000E+01 volume 0.35073E-03 ppm1 1.737 ppm2 3.608 CV 1 ASSI { 2104} (( segid "A " and resid 51 and name HB1 )) (( segid "A " and resid 51 and name HA )) 2.900 1.000 1.000 peak 2104 spectrum 1 weight 0.11000E+01 volume 0.28072E-02 ppm1 1.720 ppm2 4.049 CV 1 ASSI { 2105} (( segid "A " and resid 64 and name HB1 )) (( segid "A " and resid 64 and name HB2 )) 1.800 0.400 0.400 peak 2105 spectrum 1 weight 0.11000E+01 volume 0.12775E-01 ppm1 2.644 ppm2 3.356 CV 1 ASSI { 2108} (( segid "A " and resid 101 and name HB2 )) (( segid "A " and resid 101 and name HA )) 1.900 1.900 4.100 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.64057E-02 ppm1 1.759 ppm2 3.880 CV 1 ASSI { 2109} (( segid "A " and resid 32 and name HB1 )) (( segid "A " and resid 32 and name HA )) 2.500 0.800 0.800 peak 2109 spectrum 1 weight 0.11000E+01 volume 0.36441E-02 ppm1 1.411 ppm2 3.861 CV 1 ASSI { 2111} (( segid "A " and resid 91 and name HB2 )) (( segid "A " and resid 91 and name HA )) 3.200 1.300 1.300 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.16871E-02 ppm1 2.638 ppm2 3.940 CV 1 ASSI { 2112} (( segid "A " and resid 91 and name HB1 )) (( segid "A " and resid 91 and name HA )) 2.700 0.900 0.900 peak 2112 spectrum 1 weight 0.11000E+01 volume 0.17623E-02 ppm1 2.603 ppm2 3.943 CV 1 ASSI { 2115} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 34 and name HA )) 3.500 1.500 1.500 peak 2115 spectrum 1 weight 0.11000E+01 volume 0.10498E-02 ppm1 2.579 ppm2 4.423 CV 1 ASSI { 2116} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 31 and name HA )) 2.700 0.900 0.900 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.10667E-02 ppm1 2.584 ppm2 4.074 CV 1 ASSI { 2133} (( segid "A " and resid 102 and name HB1 )) (( segid "A " and resid 102 and name HA )) 3.700 1.700 1.700 peak 2133 spectrum 1 weight 0.11000E+01 volume 0.76595E-03 ppm1 2.626 ppm2 4.425 CV 1 ASSI { 2142} (( segid "A " and resid 36 and name HB2 )) (( segid "A " and resid 36 and name HA )) 3.000 1.100 1.100 peak 2142 spectrum 1 weight 0.11000E+01 volume 0.20755E-02 ppm1 1.851 ppm2 4.196 CV 1 ASSI { 2144} (( segid "A " and resid 125 and name HB )) (( segid "A " and resid 122 and name HA )) 3.800 1.800 1.800 peak 2144 spectrum 1 weight 0.11000E+01 volume 0.39195E-03 ppm1 1.848 ppm2 3.578 CV 1 ASSI { 2147} (( segid "A " and resid 36 and name HB1 )) (( segid "A " and resid 33 and name HA )) 4.000 2.000 2.000 peak 2147 spectrum 1 weight 0.11000E+01 volume 0.80970E-03 ppm1 1.471 ppm2 3.785 CV 1 ASSI { 2149} (( segid "A " and resid 88 and name HB1 )) (( segid "A " and resid 85 and name HA )) 6.000 4.500 0.000 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.56078E-04 ppm1 3.222 ppm2 3.871 CV 1 ASSI { 2158} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 53 and name HA )) 5.100 3.300 0.900 peak 2158 spectrum 1 weight 0.11000E+01 volume 0.50941E-03 ppm1 3.025 ppm2 4.339 CV 1 ASSI { 2164} (( segid "A " and resid 103 and name HG1 )) (( segid "A " and resid 103 and name HA )) 2.900 1.100 1.100 peak 2164 spectrum 1 weight 0.11000E+01 volume 0.48106E-02 ppm1 2.331 ppm2 4.051 CV 1 ASSI { 2165} (( segid "A " and resid 151 and name HB )) (( segid "A " and resid 151 and name HA )) 3.200 1.200 1.200 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.15630E-02 ppm1 1.898 ppm2 4.179 CV 1 ASSI { 2166} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 103 and name HA )) 2.800 1.000 1.000 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.25447E-02 ppm1 2.551 ppm2 4.045 CV 1 ASSI { 2171} (( segid "A " and resid 90 and name HB2 )) (( segid "A " and resid 90 and name HA )) 2.400 0.700 0.700 peak 2171 spectrum 1 weight 0.11000E+01 volume 0.59662E-02 ppm1 3.083 ppm2 3.995 CV 1 ASSI { 2172} (( segid "A " and resid 90 and name HB1 )) (( segid "A " and resid 90 and name HA )) 3.000 1.100 1.100 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.34074E-02 ppm1 2.998 ppm2 3.992 CV 1 ASSI { 2179} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 118 and name HA )) 2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.11000E+01 volume 0.26555E-02 ppm1 1.918 ppm2 3.841 CV 1 ASSI { 2184} (( segid "A " and resid 45 and name HG1 )) (( segid "A " and resid 45 and name HA )) 2.900 1.100 1.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 2.420 ppm2 3.876 CV 1 ASSI { 2189} (( segid "A " and resid 122 and name HB )) (( segid "A " and resid 119 and name HA )) 4.300 2.300 1.700 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.57054E-03 ppm1 2.018 ppm2 4.303 CV 1 ASSI { 2191} (( segid "A " and resid 31 and name HG1 )) (( segid "A " and resid 31 and name HA )) 2.500 0.800 0.800 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.28752E-02 ppm1 2.488 ppm2 4.077 CV 1 ASSI { 2192} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 69 and name HA )) 2.800 1.000 1.000 peak 2192 spectrum 1 weight 0.11000E+01 volume 0.34341E-02 ppm1 1.825 ppm2 3.607 CV 1 ASSI { 2194} (( segid "A " and resid 8 and name HG2 )) (( segid "A " and resid 8 and name HA )) 3.700 1.700 1.700 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.26271E-02 ppm1 2.313 ppm2 4.186 CV 1 ASSI { 2195} (( segid "A " and resid 42 and name HG1 )) (( segid "A " and resid 42 and name HA )) 4.600 2.700 1.400 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.48461E-03 ppm1 2.320 ppm2 4.379 CV 1 ASSI { 2196} (( segid "A " and resid 42 and name HG2 )) (( segid "A " and resid 42 and name HA )) 4.300 2.300 1.700 peak 2196 spectrum 1 weight 0.11000E+01 volume 0.33112E-03 ppm1 2.210 ppm2 4.386 CV 1 ASSI { 2197} (( segid "A " and resid 124 and name HG2 )) (( segid "A " and resid 124 and name HA )) 3.300 1.300 1.300 peak 2197 spectrum 1 weight 0.11000E+01 volume 0.45172E-02 ppm1 2.341 ppm2 4.147 CV 1 ASSI { 2198} (( segid "A " and resid 8 and name HG2 )) (( segid "A " and resid 9 and name HA )) 5.000 3.100 1.000 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.25529E-03 ppm1 2.316 ppm2 3.994 CV 1 ASSI { 2199} (( segid "A " and resid 124 and name HG1 )) (( segid "A " and resid 124 and name HA )) 2.900 1.100 1.100 peak 2199 spectrum 1 weight 0.11000E+01 volume 0.36190E-02 ppm1 2.285 ppm2 4.148 CV 1 ASSI { 2211} (( segid "A " and resid 127 and name HG2 )) (( segid "A " and resid 127 and name HA )) 3.700 1.700 1.700 peak 2211 spectrum 1 weight 0.11000E+01 volume 0.82711E-03 ppm1 2.572 ppm2 4.317 CV 1 ASSI { 2212} (( segid "A " and resid 106 and name HG2 )) (( segid "A " and resid 106 and name HA )) 3.300 1.400 1.400 peak 2212 spectrum 1 weight 0.11000E+01 volume 0.23943E-02 ppm1 2.541 ppm2 4.086 CV 1 ASSI { 2215} (( segid "A " and resid 106 and name HG1 )) (( segid "A " and resid 106 and name HA )) 3.300 1.400 1.400 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.21709E-02 ppm1 2.489 ppm2 4.086 CV 1 ASSI { 2230} (( segid "A " and resid 18 and name HB1 )) (( segid "A " and resid 15 and name HA )) 4.100 4.100 1.900 peak 2230 spectrum 1 weight 0.11000E+01 volume 0.25458E-03 ppm1 2.150 ppm2 4.234 CV 1 ASSI { 2245} (( segid "A " and resid 144 and name HB2 )) (( segid "A " and resid 144 and name HA )) 2.700 0.900 0.900 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.65222E-02 ppm1 1.880 ppm2 4.205 CV 1 ASSI { 2246} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 13 and name HA )) 5.200 3.400 0.800 peak 2246 spectrum 1 weight 0.11000E+01 volume 0.35218E-03 ppm1 3.111 ppm2 4.130 CV 1 ASSI { 2253} (( segid "A " and resid 157 and name HB2 )) (( segid "A " and resid 157 and name HA )) 3.400 1.400 1.400 peak 2253 spectrum 1 weight 0.11000E+01 volume 0.11508E-02 ppm1 2.088 ppm2 4.283 CV 1 ASSI { 2254} (( segid "A " and resid 157 and name HB1 )) (( segid "A " and resid 157 and name HA )) 3.200 1.300 1.300 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.17327E-02 ppm1 2.008 ppm2 4.281 CV 1 ASSI { 2260} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HA )) 2.700 0.900 0.900 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.24065E-02 ppm1 1.547 ppm2 3.781 CV 1 ASSI { 2262} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HA )) 2.100 0.600 0.600 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.38634E-02 ppm1 1.396 ppm2 3.782 CV 1 ASSI { 2269} (( segid "A " and resid 37 and name HB1 )) (( segid "A " and resid 37 and name HA )) 2.000 0.500 0.500 peak 2269 spectrum 1 weight 0.11000E+01 volume 0.17856E-01 ppm1 2.027 ppm2 4.133 CV 1 OR { 2269} (( segid "A " and resid 37 and name HB2 )) (( segid "A " and resid 37 and name HA )) ASSI { 2275} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 73 and name HA )) 2.800 1.000 1.000 peak 2275 spectrum 1 weight 0.11000E+01 volume 0.30390E-02 ppm1 1.940 ppm2 3.818 CV 1 ASSI { 2283} (( segid "A " and resid 67 and name HB1 )) (( segid "A " and resid 67 and name HA )) 2.500 0.800 0.800 peak 2283 spectrum 1 weight 0.11000E+01 volume 0.21440E-02 ppm1 2.267 ppm2 4.200 CV 1 ASSI { 2286} (( segid "A " and resid 143 and name HB1 )) (( segid "A " and resid 140 and name HA )) 3.300 1.400 1.400 peak 2286 spectrum 1 weight 0.11000E+01 volume 0.91542E-03 ppm1 1.919 ppm2 4.015 CV 1 ASSI { 2291} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HA )) 2.100 0.500 0.500 peak 2291 spectrum 1 weight 0.11000E+01 volume 0.12404E-01 ppm1 2.059 ppm2 4.123 CV 1 ASSI { 2292} (( segid "A " and resid 38 and name HB1 )) (( segid "A " and resid 38 and name HA )) 3.000 1.100 1.100 peak 2292 spectrum 1 weight 0.11000E+01 volume 0.38391E-02 ppm1 1.989 ppm2 4.112 CV 1 ASSI { 2293} (( segid "A " and resid 38 and name HB1 )) (( segid "A " and resid 35 and name HA2 )) 3.500 1.500 1.500 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.27636E-03 ppm1 1.995 ppm2 3.896 CV 1 ASSI { 2298} (( segid "A " and resid 137 and name HB2 )) (( segid "A " and resid 137 and name HA )) 3.000 1.100 1.100 peak 2298 spectrum 1 weight 0.11000E+01 volume 0.16903E-02 ppm1 2.619 ppm2 4.086 CV 1 ASSI { 2300} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 31 and name HA )) 3.000 1.100 1.100 peak 2300 spectrum 1 weight 0.11000E+01 volume 0.13877E-02 ppm1 2.347 ppm2 4.083 CV 1 ASSI { 2301} (( segid "A " and resid 42 and name HB2 )) (( segid "A " and resid 42 and name HA )) 4.400 2.400 1.600 peak 2301 spectrum 1 weight 0.11000E+01 volume 0.41554E-03 ppm1 2.247 ppm2 4.396 CV 1 ASSI { 2302} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 8 and name HA )) 2.800 2.800 3.200 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.66070E-02 ppm1 2.030 ppm2 4.183 CV 1 ASSI { 2305} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 48 and name HA )) 3.400 1.400 1.400 peak 2305 spectrum 1 weight 0.11000E+01 volume 0.17402E-02 ppm1 1.808 ppm2 3.604 CV 1 ASSI { 2309} (( segid "A " and resid 45 and name HB2 )) (( segid "A " and resid 45 and name HA )) 2.900 1.100 1.100 peak 2309 spectrum 1 weight 0.11000E+01 volume 0.34645E-02 ppm1 2.161 ppm2 3.878 CV 1 ASSI { 2311} (( segid "A " and resid 17 and name HD2 )) (( segid "A " and resid 17 and name HA )) 4.600 2.600 1.400 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.13376E-02 ppm1 1.726 ppm2 3.965 CV 1 ASSI { 2316} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 103 and name HA )) 3.300 1.400 1.400 peak 2316 spectrum 1 weight 0.11000E+01 volume 0.14417E-02 ppm1 2.585 ppm2 4.043 CV 1 ASSI { 2317} (( segid "A " and resid 103 and name HB1 )) (( segid "A " and resid 103 and name HA )) 2.700 0.900 0.900 peak 2317 spectrum 1 weight 0.11000E+01 volume 0.22172E-02 ppm1 2.510 ppm2 4.040 CV 1 ASSI { 2321} (( segid "A " and resid 122 and name HG12)) (( segid "A " and resid 122 and name HA )) 3.000 1.100 1.100 peak 2321 spectrum 1 weight 0.11000E+01 volume 0.12396E-02 ppm1 1.670 ppm2 3.584 CV 1 ASSI { 2326} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 35 and name HA1 )) 4.100 2.100 1.900 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.48682E-03 ppm1 1.885 ppm2 3.668 CV 1 ASSI { 2330} (( segid "A " and resid 105 and name HB1 )) (( segid "A " and resid 105 and name HA )) 2.700 0.900 0.900 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.21551E-02 ppm1 2.225 ppm2 3.922 CV 1 ASSI { 2343} (( segid "A " and resid 49 and name HD1 )) (( segid "A " and resid 49 and name HA )) 6.000 4.500 0.000 peak 2343 spectrum 1 weight 0.11000E+01 volume 0.24236E-03 ppm1 1.335 ppm2 3.974 CV 1 ASSI { 2353} (( segid "A " and resid 38 and name HG1 )) (( segid "A " and resid 38 and name HA )) 3.200 1.300 1.300 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.14229E-02 ppm1 1.859 ppm2 4.140 CV 1 ASSI { 2355} (( segid "A " and resid 61 and name HA1 )) (( segid "A " and resid 61 and name HA2 )) 1.700 0.400 0.500 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.15189E-01 ppm1 3.551 ppm2 4.305 CV 1 ASSI { 2357} (( segid "A " and resid 131 and name HA1 )) (( segid "A " and resid 131 and name HA2 )) 1.200 0.200 1.000 peak 2357 spectrum 1 weight 0.11000E+01 volume 0.26594E-01 ppm1 3.462 ppm2 4.036 CV 1 ASSI { 2358} (( segid "A " and resid 25 and name HA2 )) (( segid "A " and resid 25 and name HA1 )) 1.600 0.300 0.600 peak 2358 spectrum 1 weight 0.11000E+01 volume 0.27107E-01 ppm1 4.429 ppm2 3.700 CV 1 ASSI { 2368} (( segid "A " and resid 49 and name HD2 )) (( segid "A " and resid 49 and name HE2 )) 2.300 0.700 0.700 peak 2368 spectrum 1 weight 0.11000E+01 volume 0.58664E-02 ppm1 1.566 ppm2 2.789 CV 1 ASSI { 2369} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HE2 )) 3.600 1.600 1.600 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.11448E-02 ppm1 1.317 ppm2 2.789 CV 1 ASSI { 2370} (( segid "A " and resid 49 and name HD1 )) (( segid "A " and resid 49 and name HE2 )) 3.100 1.200 1.200 peak 2370 spectrum 1 weight 0.11000E+01 volume 0.31425E-02 ppm1 1.343 ppm2 2.784 CV 1 ASSI { 2371} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 137 and name HG1 )) 5.300 3.500 0.700 peak 2371 spectrum 1 weight 0.11000E+01 volume 0.37689E-03 ppm1 1.204 ppm2 2.921 CV 1 ASSI { 2374} (( segid "A " and resid 59 and name HG2 )) (( segid "A " and resid 59 and name HE2 )) 4.700 2.700 1.300 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.23491E-03 ppm1 1.354 ppm2 3.040 CV 1 ASSI { 2383} ( segid "A " and resid 19 and name HD1%) ( segid "A " and resid 27 and name HD1%) 3.400 1.400 1.400 peak 2383 spectrum 1 weight 0.11000E+01 volume 0.15410E-02 ppm1 0.722 ppm2 0.124 CV 1 ASSI { 2384} ( segid "A " and resid 99 and name HG2%) ( segid "A " and resid 99 and name HD1%) 2.100 2.100 3.900 peak 2384 spectrum 1 weight 0.11000E+01 volume 0.79320E-02 ppm1 0.802 ppm2 0.175 CV 1 OR { 2384} ( segid "A " and resid 99 and name HG2%) (( segid "A " and resid 99 and name HG11)) ASSI { 2385} ( segid "A " and resid 27 and name HG2%) ( segid "A " and resid 27 and name HD1%) 2.000 2.000 4.000 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.76813E-02 ppm1 0.865 ppm2 0.117 CV 1 ASSI { 2386} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 27 and name HG12)) 2.600 0.800 0.800 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.28059E-02 ppm1 0.866 ppm2 0.351 CV 1 ASSI { 2389} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 63 and name HB )) 1.800 0.400 0.400 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.66914E-02 ppm1 1.265 ppm2 2.034 CV 1 ASSI { 2391} (( segid "A " and resid 92 and name HB2 )) (( segid "A " and resid 92 and name HB1 )) 1.500 0.300 0.700 peak 2391 spectrum 1 weight 0.11000E+01 volume 0.14536E-01 ppm1 1.403 ppm2 2.342 CV 1 ASSI { 2393} (( segid "A " and resid 16 and name HB1 )) (( segid "A " and resid 16 and name HB2 )) 1.400 0.300 0.800 peak 2393 spectrum 1 weight 0.11000E+01 volume 0.12541E-01 ppm1 3.216 ppm2 2.764 CV 1 ASSI { 2394} (( segid "A " and resid 128 and name HB1 )) (( segid "A " and resid 128 and name HB2 )) 1.600 0.300 0.600 peak 2394 spectrum 1 weight 0.11000E+01 volume 0.25159E-01 ppm1 3.070 ppm2 2.560 CV 1 ASSI { 2395} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 56 and name HB1 )) 1.300 0.200 0.900 peak 2395 spectrum 1 weight 0.11000E+01 volume 0.23999E-01 ppm1 3.025 ppm2 2.406 CV 1 ASSI { 2397} (( segid "A " and resid 67 and name HG1 )) (( segid "A " and resid 67 and name HB1 )) 2.400 0.700 0.700 peak 2397 spectrum 1 weight 0.11000E+01 volume 0.99863E-02 ppm1 2.961 ppm2 2.276 CV 1 ASSI { 2403} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 99 and name HN )) 2.000 0.500 0.500 peak 2403 spectrum 1 weight 0.11000E+01 volume 0.71383E-02 ppm1 5.184 ppm2 10.148 CV 1 ASSI { 2405} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 88 and name HE% ) 4.200 2.200 1.800 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.81909E-03 ppm1 5.181 ppm2 7.088 CV 1 ASSI { 2406} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 98 and name HD% ) 3.600 1.600 1.600 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.18808E-02 ppm1 5.176 ppm2 6.958 CV 1 ASSI { 2407} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 98 and name HE% ) 6.000 6.000 0.000 peak 2407 spectrum 1 weight 0.11000E+01 volume 0.15163E-03 ppm1 5.178 ppm2 6.844 CV 1 ASSI { 2408} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 98 and name HB2 )) 2.400 0.700 0.700 peak 2408 spectrum 1 weight 0.11000E+01 volume 0.82125E-02 ppm1 5.180 ppm2 2.586 CV 1 ASSI { 2409} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB2 )) 3.600 1.600 1.600 peak 2409 spectrum 1 weight 0.11000E+01 volume 0.10606E-02 ppm1 5.327 ppm2 3.410 CV 1 ASSI { 2412} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 65 and name HN )) 2.400 0.700 0.700 peak 2412 spectrum 1 weight 0.11000E+01 volume 0.38525E-02 ppm1 5.294 ppm2 8.733 CV 1 ASSI { 2413} (( segid "A " and resid 64 and name HA )) ( segid "A " and resid 68 and name HD% ) 4.300 2.300 1.700 peak 2413 spectrum 1 weight 0.11000E+01 volume 0.18345E-02 ppm1 5.294 ppm2 7.070 CV 1 ASSI { 2414} (( segid "A " and resid 64 and name HA )) ( segid "A " and resid 16 and name HE% ) 3.900 1.900 1.900 peak 2414 spectrum 1 weight 0.11000E+01 volume 0.30001E-03 ppm1 5.298 ppm2 6.990 CV 1 ASSI { 2416} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.79619E-02 ppm1 5.295 ppm2 3.357 CV 1 ASSI { 2420} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 135 and name HN )) 2.500 0.800 0.800 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.21223E-02 ppm1 5.264 ppm2 8.531 CV 1 ASSI { 2421} (( segid "A " and resid 134 and name HA )) ( segid "A " and resid 98 and name HD% ) 4.300 2.300 1.700 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.10016E-02 ppm1 5.244 ppm2 6.919 CV 1 ASSI { 2422} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 134 and name HB2 )) 2.300 2.300 3.700 peak 2422 spectrum 1 weight 0.11000E+01 volume 0.56416E-02 ppm1 5.258 ppm2 3.184 CV 1 ASSI { 2423} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 134 and name HB1 )) 2.600 0.800 0.800 peak 2423 spectrum 1 weight 0.11000E+01 volume 0.46267E-02 ppm1 5.257 ppm2 2.979 CV 1 ASSI { 2434} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 134 and name HN )) 1.800 0.400 0.400 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.90383E-02 ppm1 5.260 ppm2 9.427 CV 1 ASSI { 2435} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 137 and name HB2 )) 3.000 1.100 1.100 peak 2435 spectrum 1 weight 0.11000E+01 volume 0.15661E-02 ppm1 5.262 ppm2 2.614 CV 1 ASSI { 2438} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 133 and name HN )) 3.000 1.100 1.100 peak 2438 spectrum 1 weight 0.11000E+01 volume 0.66873E-03 ppm1 5.254 ppm2 9.181 CV 1 ASSI { 2439} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 133 and name HG11)) 2.600 0.900 0.900 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.24663E-02 ppm1 5.254 ppm2 1.013 CV 1 ASSI { 2440} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 133 and name HG12)) 2.400 0.700 0.700 peak 2440 spectrum 1 weight 0.11000E+01 volume 0.17810E-02 ppm1 5.266 ppm2 1.386 CV 1 ASSI { 2441} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HG12)) 3.000 1.100 1.100 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.69247E-03 ppm1 5.214 ppm2 1.602 CV 1 ASSI { 2443} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 67 and name HB2 )) 3.300 1.400 1.400 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.62439E-03 ppm1 5.207 ppm2 2.535 CV 1 ASSI { 2446} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 64 and name HN )) 1.900 0.400 0.400 peak 2446 spectrum 1 weight 0.11000E+01 volume 0.97714E-02 ppm1 5.217 ppm2 9.102 CV 1 ASSI { 2447} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HB )) 3.000 1.100 1.100 peak 2447 spectrum 1 weight 0.11000E+01 volume 0.11632E-02 ppm1 5.213 ppm2 2.039 CV 1 ASSI { 2448} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HG11)) 3.200 1.300 1.300 peak 2448 spectrum 1 weight 0.11000E+01 volume 0.10723E-02 ppm1 5.214 ppm2 1.066 CV 1 ASSI { 2449} (( segid "A " and resid 63 and name HA )) ( segid "A " and resid 63 and name HD1%) 4.100 2.100 1.900 peak 2449 spectrum 1 weight 0.11000E+01 volume 0.20187E-02 ppm1 5.214 ppm2 0.924 CV 1 ASSI { 2451} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 27 and name HN )) 2.000 0.500 0.500 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.86898E-02 ppm1 4.963 ppm2 9.745 CV 1 ASSI { 2455} (( segid "A " and resid 26 and name HA )) ( segid "A " and resid 16 and name HE% ) 3.400 1.400 1.400 peak 2455 spectrum 1 weight 0.11000E+01 volume 0.16886E-02 ppm1 4.962 ppm2 6.987 CV 1 ASSI { 2456} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 64 and name HA )) 2.900 1.100 1.100 peak 2456 spectrum 1 weight 0.11000E+01 volume 0.26113E-02 ppm1 4.958 ppm2 5.297 CV 1 ASSI { 2461} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 26 and name HB )) 2.300 0.700 0.700 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.49619E-02 ppm1 4.958 ppm2 3.837 CV 1 ASSI { 2462} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 31 and name HB1 )) 3.700 1.700 1.700 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.37362E-03 ppm1 4.999 ppm2 2.142 CV 1 ASSI { 2464} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HB )) 2.700 0.900 0.900 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.14976E-02 ppm1 4.998 ppm2 1.754 CV 1 ASSI { 2466} (( segid "A " and resid 26 and name HA )) ( segid "A " and resid 26 and name HG2%) 2.400 0.700 0.700 peak 2466 spectrum 1 weight 0.11000E+01 volume 0.81363E-02 ppm1 4.958 ppm2 1.179 CV 1 ASSI { 2467} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HG11)) 2.600 0.800 0.800 peak 2467 spectrum 1 weight 0.11000E+01 volume 0.45645E-02 ppm1 4.998 ppm2 0.957 CV 1 ASSI { 2468} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HG12)) 2.000 0.500 0.500 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.49219E-02 ppm1 4.997 ppm2 0.349 CV 1 ASSI { 2469} (( segid "A " and resid 27 and name HA )) ( segid "A " and resid 27 and name HD1%) 3.900 1.900 1.900 peak 2469 spectrum 1 weight 0.11000E+01 volume 0.15523E-02 ppm1 4.997 ppm2 0.113 CV 1 ASSI { 2470} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 88 and name HA )) 4.300 2.300 1.700 peak 2470 spectrum 1 weight 0.11000E+01 volume 0.41045E-03 ppm1 0.177 ppm2 3.247 CV 1 ASSI { 2471} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 91 and name HB1 )) 2.300 0.600 0.600 peak 2471 spectrum 1 weight 0.11000E+01 volume 0.34643E-02 ppm1 0.174 ppm2 2.612 CV 1 OR { 2471} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 91 and name HB2 )) ASSI { 2472} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 133 and name HB )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.11000E+01 volume 0.39636E-03 ppm1 0.176 ppm2 2.100 CV 1 ASSI { 2474} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 20 and name HB2 )) 5.600 5.600 0.400 peak 2474 spectrum 1 weight 0.11000E+01 volume 0.32857E-03 ppm1 0.115 ppm2 2.519 CV 1 ASSI { 2478} ( segid "A " and resid 27 and name HD1%) ( segid "A " and resid 63 and name HG2%) 3.300 1.300 1.300 peak 2478 spectrum 1 weight 0.11000E+01 volume 0.49059E-03 ppm1 0.115 ppm2 1.272 CV 1 ASSI { 2479} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 99 and name HG12)) 2.100 0.600 0.600 peak 2479 spectrum 1 weight 0.11000E+01 volume 0.52431E-02 ppm1 0.175 ppm2 1.113 CV 1 ASSI { 2482} ( segid "A " and resid 27 and name HD1%) ( segid "A " and resid 19 and name HG2%) 1.700 1.700 4.300 peak 2482 spectrum 1 weight 0.11000E+01 volume 0.14782E-01 ppm1 0.113 ppm2 0.781 CV 1 ASSI { 2484} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 27 and name HG12)) 2.100 0.500 0.500 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.42064E-02 ppm1 0.116 ppm2 0.355 CV 1 ASSI { 2487} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 26 and name HN )) 3.000 1.100 1.100 peak 2487 spectrum 1 weight 0.11000E+01 volume 0.88922E-03 ppm1 4.959 ppm2 7.751 CV 1 ASSI { 2489} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 31 and name HB2 )) 2.900 1.000 1.000 peak 2489 spectrum 1 weight 0.11000E+01 volume 0.19927E-02 ppm1 4.998 ppm2 2.356 CV 1 OR { 2489} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 31 and name HG2 )) ASSI { 2490} (( segid "A " and resid 20 and name HA )) (( segid "A " and resid 20 and name HB2 )) 2.500 0.800 0.800 peak 2490 spectrum 1 weight 0.11000E+01 volume 0.42270E-02 ppm1 4.478 ppm2 2.533 CV 1 ASSI { 2492} (( segid "A " and resid 20 and name HA )) (( segid "A " and resid 20 and name HB1 )) 2.200 0.600 0.600 peak 2492 spectrum 1 weight 0.11000E+01 volume 0.73020E-02 ppm1 4.477 ppm2 1.489 CV 1 ASSI { 2493} (( segid "A " and resid 20 and name HA )) ( segid "A " and resid 21 and name HG2%) 5.300 3.500 0.700 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.45102E-03 ppm1 4.473 ppm2 1.288 CV 1 ASSI { 2494} (( segid "A " and resid 20 and name HA )) (( segid "A " and resid 27 and name HG12)) 3.500 1.500 1.500 peak 2494 spectrum 1 weight 0.11000E+01 volume 0.10791E-02 ppm1 4.480 ppm2 0.372 CV 1 ASSI { 2495} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HB2 )) 2.000 0.500 0.500 peak 2495 spectrum 1 weight 0.11000E+01 volume 0.67933E-02 ppm1 3.111 ppm2 2.764 CV 1 ASSI { 2496} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 88 and name HB2 )) 2.400 0.700 0.700 peak 2496 spectrum 1 weight 0.11000E+01 volume 0.53920E-02 ppm1 3.246 ppm2 2.962 CV 1 ASSI { 2497} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 19 and name HB )) 3.000 1.100 1.100 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.21778E-02 ppm1 3.110 ppm2 1.475 CV 1 ASSI { 2501} (( segid "A " and resid 16 and name HB1 )) ( segid "A " and resid 68 and name HD% ) 6.000 5.800 0.000 peak 2501 spectrum 1 weight 0.11000E+01 volume 0.69961E-04 ppm1 3.212 ppm2 7.024 CV 1 ASSI { 2502} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HB1 )) 2.300 2.300 3.700 peak 2502 spectrum 1 weight 0.11000E+01 volume 0.12690E-01 ppm1 3.112 ppm2 3.228 CV 1 ASSI { 2504} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HG2 )) 2.700 0.900 0.900 peak 2504 spectrum 1 weight 0.11000E+01 volume 0.44474E-02 ppm1 3.969 ppm2 1.404 CV 1 ASSI { 2505} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HB2 )) 2.600 0.800 0.800 peak 2505 spectrum 1 weight 0.11000E+01 volume 0.76655E-02 ppm1 4.294 ppm2 3.954 CV 1 ASSI { 2506} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 23 and name HB2 )) 6.000 4.600 0.000 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.29631E-03 ppm1 4.295 ppm2 3.089 CV 1 ASSI { 2507} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 101 and name HN )) 2.200 0.600 0.600 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.41060E-02 ppm1 4.866 ppm2 9.072 CV 1 ASSI { 2508} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 100 and name HN )) 2.800 1.000 1.000 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.17965E-02 ppm1 4.869 ppm2 8.624 CV 1 ASSI { 2509} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 101 and name HB2 )) 4.600 2.600 1.400 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.15115E-02 ppm1 4.864 ppm2 1.774 CV 1 ASSI { 2510} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 132 and name HB2 )) 3.100 1.200 1.200 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 4.867 ppm2 1.897 CV 1 OR { 2510} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 132 and name HG1 )) ASSI { 2511} (( segid "A " and resid 100 and name HA )) ( segid "A " and resid 100 and name HG2%) 2.400 0.700 0.700 peak 2511 spectrum 1 weight 0.11000E+01 volume 0.10163E-01 ppm1 4.867 ppm2 1.288 CV 1 ASSI { 2512} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 29 and name HB2 )) 2.200 0.600 0.600 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.76489E-02 ppm1 4.395 ppm2 3.379 CV 1 ASSI { 2513} (( segid "A " and resid 35 and name HA1 )) (( segid "A " and resid 38 and name HN )) 4.700 2.700 1.300 peak 2513 spectrum 1 weight 0.11000E+01 volume 0.39899E-03 ppm1 3.646 ppm2 7.860 CV 1 ASSI { 2514} (( segid "A " and resid 35 and name HA2 )) (( segid "A " and resid 38 and name HN )) 3.200 1.200 1.200 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.17095E-02 ppm1 3.885 ppm2 7.866 CV 1 ASSI { 2516} (( segid "A " and resid 35 and name HA2 )) (( segid "A " and resid 38 and name HD2 )) 5.100 3.200 0.900 peak 2516 spectrum 1 weight 0.11000E+01 volume 0.10410E-03 ppm1 3.889 ppm2 3.236 CV 1 ASSI { 2518} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 47 and name HG2 )) 6.000 4.900 0.000 peak 2518 spectrum 1 weight 0.11000E+01 volume 0.15263E-03 ppm1 4.318 ppm2 2.334 CV 1 ASSI { 2520} (( segid "A " and resid 55 and name HA )) (( segid "A " and resid 54 and name HN )) 5.600 4.000 0.400 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.35190E-03 ppm1 4.387 ppm2 7.788 CV 1 ASSI { 2521} (( segid "A " and resid 71 and name HA )) (( segid "A " and resid 74 and name HB1 )) 5.000 3.100 1.000 peak 2521 spectrum 1 weight 0.11000E+01 volume 0.10494E-03 ppm1 4.378 ppm2 2.971 CV 1 ASSI { 2522} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 56 and name HB1 )) 5.000 3.100 1.000 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.23588E-03 ppm1 3.895 ppm2 2.399 CV 1 ASSI { 2525} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HN )) 2.900 1.000 1.000 peak 2525 spectrum 1 weight 0.11000E+01 volume 0.13349E-02 ppm1 4.827 ppm2 7.610 CV 1 ASSI { 2526} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 63 and name HB )) 3.500 1.500 1.500 peak 2526 spectrum 1 weight 0.11000E+01 volume 0.38127E-02 ppm1 4.828 ppm2 2.037 CV 1 ASSI { 2527} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 63 and name HG12)) 4.200 2.200 1.800 peak 2527 spectrum 1 weight 0.11000E+01 volume 0.14482E-02 ppm1 4.827 ppm2 1.628 CV 1 ASSI { 2528} (( segid "A " and resid 62 and name HA )) ( segid "A " and resid 62 and name HG2%) 2.400 2.400 3.600 peak 2528 spectrum 1 weight 0.11000E+01 volume 0.56642E-02 ppm1 4.829 ppm2 1.093 CV 1 ASSI { 2529} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HB )) 2.500 0.800 0.800 peak 2529 spectrum 1 weight 0.11000E+01 volume 0.54341E-02 ppm1 4.830 ppm2 3.789 CV 1 ASSI { 2530} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 65 and name HB1 )) 6.000 6.000 0.000 peak 2530 spectrum 1 weight 0.11000E+01 volume 0.38356E-04 ppm1 5.303 ppm2 2.283 CV 1 ASSI { 2531} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 66 and name HN )) 6.000 4.400 0.000 peak 2531 spectrum 1 weight 0.11000E+01 volume 0.10753E-03 ppm1 5.297 ppm2 8.280 CV 1 ASSI { 2532} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 2532 spectrum 1 weight 0.11000E+01 volume 0.32944E-02 ppm1 3.633 ppm2 3.386 CV 1 ASSI { 2534} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 66 and name HN )) 5.200 3.400 0.800 peak 2534 spectrum 1 weight 0.11000E+01 volume 0.11812E-03 ppm1 3.623 ppm2 8.272 CV 1 ASSI { 2535} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 69 and name HN )) 6.000 6.000 0.000 peak 2535 spectrum 1 weight 0.11000E+01 volume 0.19709E-04 ppm1 3.625 ppm2 8.155 CV 1 ASSI { 2536} (( segid "A " and resid 66 and name HA1 )) (( segid "A " and resid 65 and name HN )) 4.600 2.700 1.400 peak 2536 spectrum 1 weight 0.11000E+01 volume 0.11671E-02 ppm1 3.592 ppm2 8.719 CV 1 ASSI { 2537} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 70 and name HN )) 5.300 3.500 0.700 peak 2537 spectrum 1 weight 0.11000E+01 volume 0.71485E-04 ppm1 4.195 ppm2 7.387 CV 1 ASSI { 2540} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 69 and name HN )) 4.200 2.200 1.800 peak 2540 spectrum 1 weight 0.11000E+01 volume 0.38087E-03 ppm1 3.958 ppm2 8.133 CV 1 ASSI { 2541} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 68 and name HB2 )) 2.200 0.600 0.600 peak 2541 spectrum 1 weight 0.11000E+01 volume 0.44740E-02 ppm1 3.960 ppm2 3.407 CV 1 ASSI { 2544} (( segid "A " and resid 72 and name HB )) (( segid "A " and resid 75 and name HB1 )) 5.200 3.400 0.800 peak 2544 spectrum 1 weight 0.11000E+01 volume 0.26068E-03 ppm1 4.062 ppm2 1.566 CV 1 OR { 2544} (( segid "A " and resid 72 and name HB )) (( segid "A " and resid 75 and name HB2 )) ASSI { 2546} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 74 and name HB1 )) 3.700 1.700 1.700 peak 2546 spectrum 1 weight 0.11000E+01 volume 0.12485E-02 ppm1 4.511 ppm2 3.001 CV 1 ASSI { 2547} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 74 and name HB2 )) 2.900 1.100 1.100 peak 2547 spectrum 1 weight 0.11000E+01 volume 0.22668E-02 ppm1 4.511 ppm2 3.156 CV 1 ASSI { 2548} (( segid "A " and resid 12 and name HB1 )) (( segid "A " and resid 10 and name HA2 )) 4.700 2.700 1.300 peak 2548 spectrum 1 weight 0.11000E+01 volume 0.28385E-03 ppm1 2.110 ppm2 3.992 CV 1 ASSI { 2550} (( segid "A " and resid 15 and name HB2 )) (( segid "A " and resid 16 and name HN )) 5.600 3.900 0.400 peak 2550 spectrum 1 weight 0.11000E+01 volume 0.11676E-03 ppm1 2.112 ppm2 8.441 CV 1 ASSI { 2554} (( segid "A " and resid 20 and name HB2 )) (( segid "A " and resid 27 and name HG11)) 4.800 2.900 1.200 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.35414E-03 ppm1 2.532 ppm2 0.953 CV 1 ASSI { 2556} (( segid "A " and resid 31 and name HB1 )) (( segid "A " and resid 31 and name HA )) 2.100 0.600 0.600 peak 2556 spectrum 1 weight 0.11000E+01 volume 0.63130E-02 ppm1 2.142 ppm2 4.079 CV 1 ASSI { 2559} (( segid "A " and resid 37 and name HB2 )) (( segid "A " and resid 37 and name HG2 )) 2.100 0.500 0.500 peak 2559 spectrum 1 weight 0.11000E+01 volume 0.15005E-01 ppm1 2.023 ppm2 1.470 CV 1 OR { 2559} (( segid "A " and resid 37 and name HB1 )) (( segid "A " and resid 37 and name HG2 )) ASSI { 2561} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HD2 )) 3.000 1.100 1.100 peak 2561 spectrum 1 weight 0.11000E+01 volume 0.16262E-02 ppm1 2.059 ppm2 3.246 CV 1 ASSI { 2563} (( segid "A " and resid 41 and name HB2 )) ( segid "A " and resid 39 and name HG2%) 4.300 2.300 1.700 peak 2563 spectrum 1 weight 0.11000E+01 volume 0.44171E-03 ppm1 3.763 ppm2 1.049 CV 1 ASSI { 2565} (( segid "A " and resid 95 and name HA2 )) (( segid "A " and resid 97 and name HN )) 4.200 2.200 1.800 peak 2565 spectrum 1 weight 0.11000E+01 volume 0.29871E-03 ppm1 3.790 ppm2 -0.798 CV 1 ASSI { 2566} (( segid "A " and resid 97 and name HA2 )) (( segid "A " and resid 97 and name HA1 )) 1.600 0.300 0.600 peak 2566 spectrum 1 weight 0.11000E+01 volume 0.24799E-01 ppm1 4.219 ppm2 3.472 CV 1 ASSI { 2568} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 99 and name HB )) 6.000 5.500 0.000 peak 2568 spectrum 1 weight 0.11000E+01 volume 0.47421E-04 ppm1 5.182 ppm2 1.716 CV 1 ASSI { 2569} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 97 and name HA1 )) 6.000 6.000 0.000 peak 2569 spectrum 1 weight 0.11000E+01 volume 0.22839E-04 ppm1 5.186 ppm2 3.492 CV 1 ASSI { 2570} (( segid "A " and resid 99 and name HA )) ( segid "A " and resid 99 and name HG2%) 2.300 0.700 0.700 peak 2570 spectrum 1 weight 0.11000E+01 volume 0.55611E-02 ppm1 4.863 ppm2 0.799 CV 1 ASSI { 2571} (( segid "A " and resid 99 and name HA )) ( segid "A " and resid 99 and name HD1%) 3.500 1.500 1.500 peak 2571 spectrum 1 weight 0.11000E+01 volume 0.43732E-02 ppm1 4.858 ppm2 0.158 CV 1 ASSI { 2572} (( segid "A " and resid 99 and name HA )) (( segid "A " and resid 99 and name HB )) 3.700 1.800 1.800 peak 2572 spectrum 1 weight 0.11000E+01 volume 0.27998E-03 ppm1 4.870 ppm2 1.722 CV 1 ASSI { 2573} (( segid "A " and resid 99 and name HA )) (( segid "A " and resid 99 and name HG12)) 2.700 0.900 0.900 peak 2573 spectrum 1 weight 0.11000E+01 volume 0.14306E-02 ppm1 4.859 ppm2 1.134 CV 1 ASSI { 2574} (( segid "A " and resid 99 and name HA )) (( segid "A " and resid 100 and name HN )) 2.000 0.500 0.500 peak 2574 spectrum 1 weight 0.11000E+01 volume 0.91384E-02 ppm1 4.858 ppm2 8.641 CV 1 ASSI { 2575} (( segid "A " and resid 99 and name HA )) (( segid "A " and resid 99 and name HN )) 3.200 1.300 1.300 peak 2575 spectrum 1 weight 0.11000E+01 volume 0.72979E-03 ppm1 4.862 ppm2 10.153 CV 1 ASSI { 2576} (( segid "A " and resid 100 and name HA )) (( segid "A " and resid 101 and name HA )) 5.000 3.200 1.000 peak 2576 spectrum 1 weight 0.11000E+01 volume 0.20874E-03 ppm1 4.864 ppm2 3.878 CV 1 ASSI { 2578} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB1 )) 4.300 2.300 1.700 peak 2578 spectrum 1 weight 0.11000E+01 volume 0.18881E-03 ppm1 5.319 ppm2 2.880 CV 1 ASSI { 2579} (( segid "A " and resid 111 and name HA )) (( segid "A " and resid 111 and name HB1 )) 2.800 1.000 1.000 peak 2579 spectrum 1 weight 0.11000E+01 volume 0.28617E-02 ppm1 4.472 ppm2 3.284 CV 1 ASSI { 2580} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 59 and name HN )) 4.600 2.600 1.400 peak 2580 spectrum 1 weight 0.11000E+01 volume 0.24995E-03 ppm1 3.901 ppm2 7.851 CV 1 ASSI { 2581} (( segid "A " and resid 14 and name HA )) (( segid "A " and resid 17 and name HE2 )) 5.500 3.800 0.500 peak 2581 spectrum 1 weight 0.11000E+01 volume 0.20831E-03 ppm1 4.075 ppm2 2.965 CV 1 ASSI { 2583} (( segid "A " and resid 122 and name HA )) ( segid "A " and resid 122 and name HG2%) 2.200 2.200 3.800 peak 2583 spectrum 1 weight 0.11000E+01 volume 0.97184E-02 ppm1 3.577 ppm2 0.811 CV 1 OR { 2583} (( segid "A " and resid 122 and name HA )) ( segid "A " and resid 122 and name HD1%) ASSI { 2584} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 126 and name HN )) 4.300 2.300 1.700 peak 2584 spectrum 1 weight 0.11000E+01 volume 0.35681E-03 ppm1 4.106 ppm2 8.175 CV 1 ASSI { 2586} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 131 and name HN )) 3.900 1.900 1.900 peak 2586 spectrum 1 weight 0.11000E+01 volume 0.66133E-03 ppm1 4.421 ppm2 10.209 CV 1 ASSI { 2589} (( segid "A " and resid 131 and name HA2 )) (( segid "A " and resid 130 and name HN )) 5.500 3.700 0.500 peak 2589 spectrum 1 weight 0.11000E+01 volume 0.22488E-03 ppm1 4.048 ppm2 8.452 CV 1 ASSI { 2590} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 132 and name HB2 )) 1.900 0.500 0.500 peak 2590 spectrum 1 weight 0.11000E+01 volume 0.13974E-01 ppm1 4.854 ppm2 1.882 CV 1 OR { 2590} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 132 and name HG1 )) ASSI { 2591} (( segid "A " and resid 132 and name HA )) ( segid "A " and resid 100 and name HG2%) 4.700 2.700 1.300 peak 2591 spectrum 1 weight 0.11000E+01 volume 0.84988E-03 ppm1 4.857 ppm2 1.286 CV 1 ASSI { 2593} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 132 and name HN )) 2.700 0.900 0.900 peak 2593 spectrum 1 weight 0.11000E+01 volume 0.10797E-02 ppm1 4.860 ppm2 8.016 CV 1 ASSI { 2594} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 133 and name HN )) 1.800 1.800 4.200 peak 2594 spectrum 1 weight 0.11000E+01 volume 0.94063E-02 ppm1 4.855 ppm2 9.184 CV 1 ASSI { 2595} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 134 and name HN )) 3.000 1.200 1.200 peak 2595 spectrum 1 weight 0.11000E+01 volume 0.66820E-03 ppm1 5.257 ppm2 9.424 CV 1 ASSI { 2598} (( segid "A " and resid 88 and name HB2 )) (( segid "A " and resid 85 and name HA )) 3.500 1.600 1.600 peak 2598 spectrum 1 weight 0.11000E+01 volume 0.28410E-03 ppm1 2.943 ppm2 3.835 CV 1 ASSI { 2599} (( segid "A " and resid 89 and name HB1 )) (( segid "A " and resid 90 and name HN )) 5.300 3.500 0.700 peak 2599 spectrum 1 weight 0.11000E+01 volume 0.46849E-04 ppm1 4.026 ppm2 7.510 CV 1 ASSI { 2600} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 103 and name HG1 )) 1.600 0.300 0.600 peak 2600 spectrum 1 weight 0.11000E+01 volume 0.16785E-01 ppm1 2.547 ppm2 2.317 CV 1 ASSI { 2602} (( segid "A " and resid 93 and name HB2 )) (( segid "A " and resid 103 and name HG2 )) 3.500 1.500 1.500 peak 2602 spectrum 1 weight 0.11000E+01 volume 0.60891E-03 ppm1 1.826 ppm2 2.548 CV 1 OR { 2602} (( segid "A " and resid 93 and name HB2 )) (( segid "A " and resid 103 and name HB1 )) ASSI { 2604} (( segid "A " and resid 93 and name HB2 )) (( segid "A " and resid 93 and name HG1 )) 2.200 0.600 0.600 peak 2604 spectrum 1 weight 0.11000E+01 volume 0.10846E-01 ppm1 1.818 ppm2 1.443 CV 1 OR { 2604} (( segid "A " and resid 93 and name HB2 )) (( segid "A " and resid 93 and name HG2 )) ASSI { 2605} (( segid "A " and resid 98 and name HB2 )) (( segid "A " and resid 132 and name HG2 )) 5.500 3.800 0.500 peak 2605 spectrum 1 weight 0.11000E+01 volume 0.66852E-03 ppm1 2.590 ppm2 2.044 CV 1 ASSI { 2606} (( segid "A " and resid 99 and name HB )) (( segid "A " and resid 133 and name HB )) 1.600 0.300 0.600 peak 2606 spectrum 1 weight 0.11000E+01 volume 0.52028E-02 ppm1 1.706 ppm2 2.102 CV 1 ASSI { 2609} (( segid "A " and resid 48 and name HB )) ( segid "A " and resid 29 and name HE% ) 4.200 2.200 1.800 peak 2609 spectrum 1 weight 0.11000E+01 volume 0.27599E-03 ppm1 2.040 ppm2 7.227 CV 1 OR { 2609} (( segid "A " and resid 48 and name HB )) (( segid "A " and resid 29 and name HZ )) ASSI { 2611} (( segid "A " and resid 105 and name HB2 )) ( segid "A " and resid 118 and name HG2%) 4.400 2.400 1.600 peak 2611 spectrum 1 weight 0.11000E+01 volume 0.10097E-02 ppm1 2.118 ppm2 0.935 CV 1 ASSI { 2612} (( segid "A " and resid 106 and name HB2 )) ( segid "A " and resid 107 and name HB% ) 5.800 4.200 0.200 peak 2612 spectrum 1 weight 0.11000E+01 volume 0.44388E-03 ppm1 2.126 ppm2 1.435 CV 1 ASSI { 2617} (( segid "A " and resid 124 and name HB2 )) (( segid "A " and resid 125 and name HG11)) 4.400 2.400 1.600 peak 2617 spectrum 1 weight 0.11000E+01 volume 0.10203E-02 ppm1 2.126 ppm2 1.672 CV 1 ASSI { 2621} (( segid "A " and resid 132 and name HB2 )) (( segid "A " and resid 98 and name HB2 )) 3.700 1.700 1.700 peak 2621 spectrum 1 weight 0.11000E+01 volume 0.97769E-03 ppm1 1.892 ppm2 2.586 CV 1 ASSI { 2622} (( segid "A " and resid 132 and name HB1 )) (( segid "A " and resid 98 and name HB2 )) 3.900 1.900 1.900 peak 2622 spectrum 1 weight 0.11000E+01 volume 0.14944E-02 ppm1 1.818 ppm2 2.591 CV 1 ASSI { 2625} (( segid "A " and resid 133 and name HB )) (( segid "A " and resid 133 and name HG12)) 2.800 1.000 1.000 peak 2625 spectrum 1 weight 0.11000E+01 volume 0.12049E-02 ppm1 2.108 ppm2 1.391 CV 1 ASSI { 2633} ( segid "A " and resid 140 and name HB% ) (( segid "A " and resid 153 and name HD2 )) 5.300 3.500 0.700 peak 2633 spectrum 1 weight 0.11000E+01 volume 0.97864E-04 ppm1 1.481 ppm2 3.171 CV 1 ASSI { 2636} (( segid "A " and resid 116 and name HG11)) (( segid "A " and resid 116 and name HB )) 3.100 1.200 1.200 peak 2636 spectrum 1 weight 0.11000E+01 volume 0.10389E-02 ppm1 1.182 ppm2 1.878 CV 1 ASSI { 2643} (( segid "A " and resid 63 and name HG11)) (( segid "A " and resid 63 and name HB )) 2.500 0.800 0.800 peak 2643 spectrum 1 weight 0.11000E+01 volume 0.13783E-02 ppm1 1.082 ppm2 2.041 CV 1 ASSI { 2645} (( segid "A " and resid 133 and name HG11)) (( segid "A " and resid 133 and name HB )) 2.400 0.700 0.700 peak 2645 spectrum 1 weight 0.11000E+01 volume 0.16942E-02 ppm1 1.012 ppm2 2.096 CV 1 ASSI { 2647} (( segid "A " and resid 32 and name HG )) (( segid "A " and resid 32 and name HN )) 5.000 3.100 1.000 peak 2647 spectrum 1 weight 0.11000E+01 volume 0.51072E-03 ppm1 1.497 ppm2 8.610 CV 1 ASSI { 2648} (( segid "A " and resid 123 and name HG1 )) (( segid "A " and resid 123 and name HE2 )) 4.000 2.000 2.000 peak 2648 spectrum 1 weight 0.11000E+01 volume 0.11638E-02 ppm1 1.647 ppm2 3.018 CV 1 ASSI { 2650} (( segid "A " and resid 123 and name HG1 )) (( segid "A " and resid 123 and name HB2 )) 2.600 0.900 0.900 peak 2650 spectrum 1 weight 0.11000E+01 volume 0.43804E-02 ppm1 1.651 ppm2 1.938 CV 1 ASSI { 2651} (( segid "A " and resid 123 and name HG2 )) (( segid "A " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 2651 spectrum 1 weight 0.11000E+01 volume 0.41787E-02 ppm1 1.521 ppm2 1.939 CV 1 ASSI { 2652} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HB2 )) 2.300 0.600 0.600 peak 2652 spectrum 1 weight 0.11000E+01 volume 0.34697E-02 ppm1 1.315 ppm2 2.032 CV 1 ASSI { 2653} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HB1 )) 3.100 1.200 1.200 peak 2653 spectrum 1 weight 0.11000E+01 volume 0.19193E-02 ppm1 1.318 ppm2 1.882 CV 1 ASSI { 2654} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 49 and name HD2 )) 2.900 1.000 1.000 peak 2654 spectrum 1 weight 0.11000E+01 volume 0.28443E-02 ppm1 1.311 ppm2 1.564 CV 1 ASSI { 2655} (( segid "A " and resid 49 and name HG2 )) (( segid "A " and resid 49 and name HE2 )) 3.600 1.600 1.600 peak 2655 spectrum 1 weight 0.11000E+01 volume 0.24904E-02 ppm1 1.391 ppm2 2.788 CV 1 ASSI { 2656} (( segid "A " and resid 49 and name HG2 )) (( segid "A " and resid 49 and name HB2 )) 2.500 0.800 0.800 peak 2656 spectrum 1 weight 0.11000E+01 volume 0.69382E-02 ppm1 1.399 ppm2 2.034 CV 1 ASSI { 2657} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 17 and name HE2 )) 3.600 1.700 1.700 peak 2657 spectrum 1 weight 0.11000E+01 volume 0.88220E-03 ppm1 1.751 ppm2 2.958 CV 1 ASSI { 2662} (( segid "A " and resid 37 and name HG1 )) (( segid "A " and resid 37 and name HB2 )) 2.400 0.700 0.700 peak 2662 spectrum 1 weight 0.11000E+01 volume 0.38638E-02 ppm1 1.568 ppm2 2.012 CV 1 ASSI { 2664} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 93 and name HE2 )) 3.600 1.600 1.600 peak 2664 spectrum 1 weight 0.11000E+01 volume 0.79415E-03 ppm1 1.473 ppm2 2.929 CV 1 ASSI { 2665} ( segid "A " and resid 26 and name HG2%) ( segid "A " and resid 16 and name HE% ) 6.000 6.000 0.000 peak 2665 spectrum 1 weight 0.11000E+01 volume 0.47694E-04 ppm1 1.174 ppm2 6.993 CV 1 ASSI { 2667} ( segid "A " and resid 26 and name HG2%) (( segid "A " and resid 64 and name HB1 )) 3.200 3.200 2.800 peak 2667 spectrum 1 weight 0.11000E+01 volume 0.29021E-02 ppm1 1.178 ppm2 2.642 CV 1 ASSI { 2668} ( segid "A " and resid 55 and name HB% ) (( segid "A " and resid 56 and name HB2 )) 5.500 3.800 0.500 peak 2668 spectrum 1 weight 0.11000E+01 volume 0.16698E-03 ppm1 1.345 ppm2 3.034 CV 1 ASSI { 2669} ( segid "A " and resid 55 and name HB% ) (( segid "A " and resid 56 and name HB1 )) 5.600 4.000 0.400 peak 2669 spectrum 1 weight 0.11000E+01 volume 0.34672E-03 ppm1 1.349 ppm2 2.415 CV 1 ASSI { 2670} ( segid "A " and resid 55 and name HB% ) (( segid "A " and resid 67 and name HB1 )) 5.200 3.400 0.800 peak 2670 spectrum 1 weight 0.11000E+01 volume 0.19570E-03 ppm1 1.351 ppm2 2.274 CV 1 ASSI { 2680} (( segid "A " and resid 43 and name HB1 )) (( segid "A " and resid 43 and name HG )) 3.300 1.400 1.400 peak 2680 spectrum 1 weight 0.11000E+01 volume 0.14316E-02 ppm1 1.398 ppm2 1.652 CV 1 ASSI { 2681} (( segid "A " and resid 113 and name HB2 )) (( segid "A " and resid 113 and name HN )) 4.400 2.400 1.600 peak 2681 spectrum 1 weight 0.11000E+01 volume 0.38179E-03 ppm1 1.717 ppm2 7.931 CV 1 ASSI { 2683} (( segid "A " and resid 12 and name HB1 )) (( segid "A " and resid 12 and name HB2 )) 1.700 0.400 0.500 peak 2683 spectrum 1 weight 0.11000E+01 volume 0.10111E-01 ppm1 2.112 ppm2 1.655 CV 1 OR { 2683} (( segid "A " and resid 12 and name HB1 )) (( segid "A " and resid 12 and name HG )) ASSI { 2684} (( segid "A " and resid 15 and name HB1 )) (( segid "A " and resid 15 and name HB2 )) 1.400 0.200 0.800 peak 2684 spectrum 1 weight 0.11000E+01 volume 0.13581E-01 ppm1 1.865 ppm2 2.107 CV 1 ASSI { 2688} (( segid "A " and resid 75 and name HB2 )) (( segid "A " and resid 74 and name HN )) 6.000 5.300 0.000 peak 2688 spectrum 1 weight 0.11000E+01 volume 0.11885E-03 ppm1 1.536 ppm2 7.783 CV 1 ASSI { 2689} (( segid "A " and resid 91 and name HB2 )) (( segid "A " and resid 92 and name HN )) 3.500 1.500 1.500 peak 2689 spectrum 1 weight 0.11000E+01 volume 0.18827E-03 ppm1 2.623 ppm2 7.878 CV 1 ASSI { 2690} (( segid "A " and resid 126 and name HB2 )) (( segid "A " and resid 131 and name HN )) 5.100 3.200 0.900 peak 2690 spectrum 1 weight 0.11000E+01 volume 0.77065E-04 ppm1 2.911 ppm2 10.238 CV 1 ASSI { 2693} (( segid "A " and resid 128 and name HB2 )) (( segid "A " and resid 129 and name HN )) 6.000 4.500 0.000 peak 2693 spectrum 1 weight 0.11000E+01 volume 0.11754E-03 ppm1 2.563 ppm2 7.739 CV 1 ASSI { 2696} (( segid "A " and resid 63 and name HB )) (( segid "A " and resid 27 and name HB )) 1.200 0.200 1.000 peak 2696 spectrum 1 weight 0.11000E+01 volume 0.80171E-02 ppm1 2.040 ppm2 1.766 CV 1 ASSI { 2697} (( segid "A " and resid 63 and name HB )) (( segid "A " and resid 63 and name HG12)) 2.800 1.000 1.000 peak 2697 spectrum 1 weight 0.11000E+01 volume 0.19886E-02 ppm1 2.049 ppm2 1.597 CV 1 ASSI { 2698} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 59 and name HA )) 4.100 2.100 1.900 peak 2698 spectrum 1 weight 0.11000E+01 volume 0.77161E-03 ppm1 3.024 ppm2 3.901 CV 1 ASSI { 2702} (( segid "A " and resid 56 and name HB1 )) (( segid "A " and resid 63 and name HG11)) 5.400 3.700 0.600 peak 2702 spectrum 1 weight 0.11000E+01 volume 0.33590E-03 ppm1 2.407 ppm2 1.053 CV 1 ASSI { 2703} (( segid "A " and resid 57 and name HB )) (( segid "A " and resid 57 and name HG11)) 2.400 0.700 0.700 peak 2703 spectrum 1 weight 0.11000E+01 volume 0.40536E-02 ppm1 2.038 ppm2 1.653 CV 1 ASSI { 2704} (( segid "A " and resid 57 and name HB )) (( segid "A " and resid 57 and name HG12)) 2.700 0.900 0.900 peak 2704 spectrum 1 weight 0.11000E+01 volume 0.27289E-02 ppm1 2.040 ppm2 1.430 CV 1 ASSI { 2707} (( segid "A " and resid 65 and name HB2 )) (( segid "A " and resid 64 and name HB2 )) 6.000 5.300 0.000 peak 2707 spectrum 1 weight 0.11000E+01 volume 0.14700E-03 ppm1 2.559 ppm2 3.368 CV 1 ASSI { 2708} (( segid "A " and resid 65 and name HB2 )) (( segid "A " and resid 65 and name HB1 )) 1.400 0.300 0.800 peak 2708 spectrum 1 weight 0.11000E+01 volume 0.25244E-01 ppm1 2.568 ppm2 2.281 CV 1 ASSI { 2709} (( segid "A " and resid 47 and name HG2 )) (( segid "A " and resid 47 and name HB1 )) 2.300 0.700 0.700 peak 2709 spectrum 1 weight 0.11000E+01 volume 0.13947E-01 ppm1 2.318 ppm2 2.097 CV 1 ASSI { 2711} (( segid "A " and resid 137 and name HG1 )) (( segid "A " and resid 137 and name HB2 )) 2.300 0.600 0.600 peak 2711 spectrum 1 weight 0.11000E+01 volume 0.33318E-02 ppm1 2.922 ppm2 2.601 CV 1 ASSI { 2712} (( segid "A " and resid 67 and name HG1 )) (( segid "A " and resid 67 and name HB2 )) 2.200 0.600 0.600 peak 2712 spectrum 1 weight 0.11000E+01 volume 0.54757E-02 ppm1 2.963 ppm2 2.539 CV 1 ASSI { 2714} (( segid "A " and resid 67 and name HG1 )) (( segid "A " and resid 57 and name HG12)) 5.100 3.300 0.900 peak 2714 spectrum 1 weight 0.11000E+01 volume 0.57752E-03 ppm1 2.965 ppm2 1.436 CV 1 ASSI { 2715} (( segid "A " and resid 45 and name HG1 )) ( segid "A " and resid 29 and name HE% ) 4.600 2.600 1.400 peak 2715 spectrum 1 weight 0.11000E+01 volume 0.40096E-03 ppm1 2.409 ppm2 7.265 CV 1 OR { 2715} (( segid "A " and resid 45 and name HG1 )) (( segid "A " and resid 29 and name HZ )) ASSI { 2716} (( segid "A " and resid 45 and name HG2 )) ( segid "A " and resid 29 and name HE% ) 4.700 2.800 1.300 peak 2716 spectrum 1 weight 0.11000E+01 volume 0.21490E-03 ppm1 2.355 ppm2 7.243 CV 1 OR { 2716} (( segid "A " and resid 45 and name HG2 )) (( segid "A " and resid 29 and name HZ )) ASSI { 2717} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 21 and name HN )) 4.900 3.100 1.100 peak 2717 spectrum 1 weight 0.11000E+01 volume 0.24296E-03 ppm1 2.409 ppm2 8.053 CV 1 ASSI { 2718} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 61 and name HN )) 5.900 4.300 0.100 peak 2718 spectrum 1 weight 0.11000E+01 volume 0.14934E-03 ppm1 4.003 ppm2 -0.639 CV 1 ASSI { 2719} (( segid "A " and resid 60 and name HB1 )) (( segid "A " and resid 61 and name HN )) 6.000 6.000 0.000 peak 2719 spectrum 1 weight 0.11000E+01 volume 0.38928E-04 ppm1 4.252 ppm2 -0.640 CV 1 ASSI { 2720} (( segid "A " and resid 24 and name HB1 )) (( segid "A " and resid 26 and name HN )) 6.000 4.800 0.000 peak 2720 spectrum 1 weight 0.11000E+01 volume 0.20890E-03 ppm1 4.234 ppm2 7.757 CV 1 ASSI { 2722} (( segid "A " and resid 24 and name HB1 )) (( segid "A " and resid 25 and name HN )) 6.000 6.000 0.000 peak 2722 spectrum 1 weight 0.11000E+01 volume 0.60107E-04 ppm1 4.239 ppm2 -0.374 CV 1 ASSI { 2724} (( segid "A " and resid 127 and name HG2 )) (( segid "A " and resid 128 and name HN )) 6.000 5.300 0.000 peak 2724 spectrum 1 weight 0.11000E+01 volume 0.12457E-03 ppm1 2.572 ppm2 8.159 CV 1 ASSI { 2725} (( segid "A " and resid 127 and name HG2 )) (( segid "A " and resid 127 and name HE21)) 4.000 2.000 2.000 peak 2725 spectrum 1 weight 0.11000E+01 volume 0.71823E-03 ppm1 2.564 ppm2 7.483 CV 1 ASSI { 2728} (( segid "A " and resid 105 and name HG1 )) (( segid "A " and resid 106 and name HN )) 6.000 5.400 0.000 peak 2728 spectrum 1 weight 0.11000E+01 volume 0.10867E-03 ppm1 2.306 ppm2 7.995 CV 1 ASSI { 2729} (( segid "A " and resid 132 and name HG2 )) (( segid "A " and resid 132 and name HE22)) 4.600 2.600 1.400 peak 2729 spectrum 1 weight 0.11000E+01 volume 0.59850E-03 ppm1 2.034 ppm2 5.795 CV 1 ASSI { 2730} (( segid "A " and resid 132 and name HG1 )) (( segid "A " and resid 133 and name HN )) 5.500 3.800 0.500 peak 2730 spectrum 1 weight 0.11000E+01 volume 0.69526E-04 ppm1 1.912 ppm2 9.179 CV 1 ASSI { 2731} (( segid "A " and resid 52 and name HG1 )) ( segid "A " and resid 52 and name HE% ) 2.500 0.800 0.800 peak 2731 spectrum 1 weight 0.11000E+01 volume 0.36383E-02 ppm1 2.791 ppm2 2.014 CV 1 OR { 2731} (( segid "A " and resid 52 and name HG1 )) (( segid "A " and resid 52 and name HB1 )) ASSI { 2732} (( segid "A " and resid 52 and name HG1 )) (( segid "A " and resid 52 and name HG2 )) 1.500 0.300 0.700 peak 2732 spectrum 1 weight 0.11000E+01 volume 0.16748E-01 ppm1 2.793 ppm2 2.525 CV 1 ASSI { 2736} (( segid "A " and resid 132 and name HB2 )) (( segid "A " and resid 133 and name HN )) 3.300 1.400 1.400 peak 2736 spectrum 1 weight 0.11000E+01 volume 0.26985E-03 ppm1 1.891 ppm2 9.187 CV 1 ASSI { 2745} (( segid "A " and resid 148 and name HA )) (( segid "A " and resid 148 and name HB1 )) 2.600 0.800 0.800 peak 2745 spectrum 1 weight 0.11000E+01 volume 0.78757E-02 ppm1 4.569 ppm2 2.807 CV 1 ASSI { 2756} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 138 and name HB1 )) 3.500 1.500 1.500 peak 2756 spectrum 1 weight 0.11000E+01 volume 0.43538E-02 ppm1 1.207 ppm2 3.182 CV 1 ASSI { 2758} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 68 and name HB1 )) 3.200 1.300 1.300 peak 2758 spectrum 1 weight 0.11000E+01 volume 0.48466E-02 ppm1 1.264 ppm2 3.278 CV 1 ASSI { 2759} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 67 and name HB2 )) 1.900 1.900 4.100 peak 2759 spectrum 1 weight 0.11000E+01 volume 0.43313E-02 ppm1 1.264 ppm2 2.537 CV 1 ASSI { 2762} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 67 and name HG2 )) 5.400 3.700 0.600 peak 2762 spectrum 1 weight 0.11000E+01 volume 0.72133E-03 ppm1 1.265 ppm2 2.401 CV 1 ASSI { 2763} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 2763 spectrum 1 weight 0.11000E+01 volume 0.33834E-02 ppm1 1.264 ppm2 2.271 CV 1 ASSI { 2764} ( segid "A " and resid 54 and name HB% ) (( segid "A " and resid 51 and name HB2 )) 2.900 2.900 3.100 peak 2764 spectrum 1 weight 0.11000E+01 volume 0.25973E-03 ppm1 1.312 ppm2 1.827 CV 1 ASSI { 2770} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 31 and name HB2 )) 4.000 2.000 2.000 peak 2770 spectrum 1 weight 0.11000E+01 volume 0.96958E-03 ppm1 0.795 ppm2 2.366 CV 1 OR { 2770} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 31 and name HG2 )) ASSI { 2771} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 31 and name HB1 )) 2.500 2.500 3.500 peak 2771 spectrum 1 weight 0.11000E+01 volume 0.19911E-02 ppm1 0.795 ppm2 2.152 CV 1 ASSI { 2772} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 19 and name HG12)) 3.100 1.200 1.200 peak 2772 spectrum 1 weight 0.11000E+01 volume 0.29589E-02 ppm1 0.792 ppm2 1.885 CV 1 ASSI { 2773} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 27 and name HB )) 5.300 3.500 0.700 peak 2773 spectrum 1 weight 0.11000E+01 volume 0.32459E-03 ppm1 0.797 ppm2 1.778 CV 1 ASSI { 2777} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 133 and name HB )) 3.400 1.400 1.400 peak 2777 spectrum 1 weight 0.11000E+01 volume 0.37367E-02 ppm1 0.922 ppm2 2.125 CV 1 ASSI { 2782} ( segid "A " and resid 99 and name HG2%) (( segid "A " and resid 99 and name HB )) 1.800 1.800 4.200 peak 2782 spectrum 1 weight 0.11000E+01 volume 0.91528E-02 ppm1 0.803 ppm2 1.710 CV 1 ASSI { 2784} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 31 and name HB1 )) 2.900 2.900 3.100 peak 2784 spectrum 1 weight 0.11000E+01 volume 0.15525E-02 ppm1 0.865 ppm2 2.146 CV 1 ASSI { 2785} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 32 and name HB2 )) 2.800 2.800 3.200 peak 2785 spectrum 1 weight 0.11000E+01 volume 0.21044E-02 ppm1 0.866 ppm2 1.939 CV 1 ASSI { 2788} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 32 and name HB1 )) 3.200 3.200 2.800 peak 2788 spectrum 1 weight 0.11000E+01 volume 0.48502E-02 ppm1 0.865 ppm2 1.415 CV 1 ASSI { 2793} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 57 and name HG11)) 3.000 1.200 1.200 peak 2793 spectrum 1 weight 0.11000E+01 volume 0.27188E-02 ppm1 1.033 ppm2 1.655 CV 1 ASSI { 2794} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 57 and name HG12)) 3.600 1.600 1.600 peak 2794 spectrum 1 weight 0.11000E+01 volume 0.25579E-02 ppm1 1.032 ppm2 1.436 CV 1 ASSI { 2795} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 57 and name HB )) 2.200 0.600 0.600 peak 2795 spectrum 1 weight 0.11000E+01 volume 0.10546E-01 ppm1 1.034 ppm2 2.036 CV 1 ASSI { 2797} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 104 and name HB )) 2.000 0.500 0.500 peak 2797 spectrum 1 weight 0.11000E+01 volume 0.75015E-02 ppm1 0.827 ppm2 1.962 CV 1 ASSI { 2799} ( segid "A " and resid 116 and name HG2%) (( segid "A " and resid 116 and name HB )) 2.200 0.600 0.600 peak 2799 spectrum 1 weight 0.11000E+01 volume 0.89005E-02 ppm1 0.813 ppm2 1.891 CV 1 ASSI { 2805} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 2805 spectrum 1 weight 0.11000E+01 volume 0.11044E-01 ppm1 0.899 ppm2 1.943 CV 1 ASSI { 2809} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 27 and name HB )) 2.300 0.700 0.700 peak 2809 spectrum 1 weight 0.11000E+01 volume 0.43663E-02 ppm1 0.115 ppm2 1.761 CV 1 ASSI { 2810} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 19 and name HG12)) 5.200 3.400 0.800 peak 2810 spectrum 1 weight 0.11000E+01 volume 0.15266E-03 ppm1 0.115 ppm2 1.899 CV 1 ASSI { 2811} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 19 and name HB )) 1.900 1.900 4.100 peak 2811 spectrum 1 weight 0.11000E+01 volume 0.84099E-02 ppm1 0.793 ppm2 1.473 CV 1 ASSI { 2812} (( segid "A " and resid 27 and name HG11)) (( segid "A " and resid 27 and name HG12)) 1.300 0.200 0.900 peak 2812 spectrum 1 weight 0.11000E+01 volume 0.15163E-01 ppm1 0.960 ppm2 0.355 CV 1 ASSI { 2813} (( segid "A " and resid 27 and name HG11)) ( segid "A " and resid 27 and name HD1%) 2.000 2.000 4.000 peak 2813 spectrum 1 weight 0.11000E+01 volume 0.57204E-02 ppm1 0.964 ppm2 0.113 CV 1 ASSI { 2814} (( segid "A " and resid 27 and name HG11)) (( segid "A " and resid 27 and name HN )) 2.600 0.900 0.900 peak 2814 spectrum 1 weight 0.11000E+01 volume 0.91644E-03 ppm1 0.969 ppm2 9.726 CV 1 ASSI { 2816} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 16 and name HA )) 4.500 2.500 1.500 peak 2816 spectrum 1 weight 0.11000E+01 volume 0.53894E-03 ppm1 0.730 ppm2 3.105 CV 1 ASSI { 2820} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 20 and name HN )) 4.500 2.600 1.500 peak 2820 spectrum 1 weight 0.11000E+01 volume 0.65099E-03 ppm1 0.101 ppm2 7.864 CV 1 ASSI { 2821} (( segid "A " and resid 99 and name HG12)) (( segid "A " and resid 133 and name HN )) 6.000 5.700 0.000 peak 2821 spectrum 1 weight 0.11000E+01 volume 0.86729E-04 ppm1 1.113 ppm2 9.193 CV 1 ASSI { 2822} (( segid "A " and resid 99 and name HG12)) (( segid "A " and resid 91 and name HB1 )) 4.600 2.700 1.400 peak 2822 spectrum 1 weight 0.11000E+01 volume 0.46466E-03 ppm1 1.121 ppm2 2.605 CV 1 OR { 2822} (( segid "A " and resid 99 and name HG12)) (( segid "A " and resid 91 and name HB2 )) ASSI { 2824} (( segid "A " and resid 20 and name HB1 )) ( segid "A " and resid 16 and name HE% ) 6.000 4.600 0.000 peak 2824 spectrum 1 weight 0.11000E+01 volume 0.14199E-03 ppm1 1.468 ppm2 6.973 CV 1 ASSI { 2825} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 21 and name HN )) 6.000 5.400 0.000 peak 2825 spectrum 1 weight 0.11000E+01 volume 0.92338E-04 ppm1 1.472 ppm2 8.061 CV 1 ASSI { 2826} (( segid "A " and resid 20 and name HB2 )) (( segid "A " and resid 21 and name HN )) 6.000 4.900 0.000 peak 2826 spectrum 1 weight 0.11000E+01 volume 0.93944E-04 ppm1 2.542 ppm2 8.078 CV 1 ASSI { 2827} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 67 and name HA )) 5.800 4.200 0.200 peak 2827 spectrum 1 weight 0.11000E+01 volume 0.20986E-03 ppm1 1.264 ppm2 4.186 CV 1 ASSI { 2828} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 31 and name HN )) 5.500 3.800 0.500 peak 2828 spectrum 1 weight 0.11000E+01 volume 0.17650E-03 ppm1 0.863 ppm2 7.523 CV 1 ASSI { 2829} ( segid "A " and resid 27 and name HG2%) ( segid "A " and resid 68 and name HD% ) 5.900 4.300 0.100 peak 2829 spectrum 1 weight 0.11000E+01 volume 0.16397E-03 ppm1 0.857 ppm2 7.038 CV 1 ASSI { 2830} (( segid "A " and resid 63 and name HB )) (( segid "A " and resid 27 and name HG12)) 5.400 3.600 0.600 peak 2830 spectrum 1 weight 0.11000E+01 volume 0.20351E-03 ppm1 2.025 ppm2 0.343 CV 1 ASSI { 2831} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 27 and name HG11)) 5.400 3.600 0.600 peak 2831 spectrum 1 weight 0.11000E+01 volume 0.24508E-03 ppm1 3.107 ppm2 0.972 CV 1 ASSI { 2834} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 27 and name HA )) 5.100 3.300 0.900 peak 2834 spectrum 1 weight 0.11000E+01 volume 0.17180E-03 ppm1 0.796 ppm2 4.989 CV 1 ASSI { 2845} (( segid "A " and resid 135 and name HB1 )) ( segid "A " and resid 135 and name HD% ) 3.400 1.500 1.500 peak 2845 spectrum 1 weight 0.11000E+01 volume 0.63915E-03 ppm1 2.105 ppm2 6.442 CV 1 ASSI { 2847} (( segid "A " and resid 68 and name HB2 )) ( segid "A " and resid 16 and name HD% ) 3.600 1.700 1.700 peak 2847 spectrum 1 weight 0.11000E+01 volume 0.15269E-03 ppm1 3.405 ppm2 6.502 CV 1 ASSI { 2848} (( segid "A " and resid 68 and name HB1 )) ( segid "A " and resid 16 and name HD% ) 4.300 2.300 1.700 peak 2848 spectrum 1 weight 0.11000E+01 volume 0.41536E-03 ppm1 3.280 ppm2 6.505 CV 1 ASSI { 2850} (( segid "A " and resid 111 and name HB1 )) (( segid "A " and resid 113 and name HB2 )) 6.000 5.000 0.000 peak 2850 spectrum 1 weight 0.11000E+01 volume 0.11817E-03 ppm1 3.283 ppm2 1.698 CV 1 ASSI { 2852} (( segid "A " and resid 111 and name HB1 )) ( segid "A " and resid 118 and name HD1%) 4.400 2.400 1.600 peak 2852 spectrum 1 weight 0.11000E+01 volume 0.29914E-03 ppm1 3.277 ppm2 0.862 CV 1 ASSI { 2853} (( segid "A " and resid 115 and name HB1 )) ( segid "A " and resid 116 and name HD1%) 5.800 4.100 0.200 peak 2853 spectrum 1 weight 0.11000E+01 volume 0.33130E-03 ppm1 3.120 ppm2 0.847 CV 1 OR { 2853} (( segid "A " and resid 115 and name HB1 )) ( segid "A " and resid 116 and name HG2%) ASSI { 2855} (( segid "A " and resid 90 and name HB2 )) (( segid "A " and resid 91 and name HN )) 5.900 4.300 0.100 peak 2855 spectrum 1 weight 0.11000E+01 volume 0.12231E-03 ppm1 3.098 ppm2 7.067 CV 1 ASSI { 2858} ( segid "A " and resid 100 and name HG2%) (( segid "A " and resid 132 and name HB2 )) 3.800 1.800 1.800 peak 2858 spectrum 1 weight 0.11000E+01 volume 0.17225E-02 ppm1 1.288 ppm2 1.887 CV 1 OR { 2858} ( segid "A " and resid 100 and name HG2%) (( segid "A " and resid 132 and name HG1 )) ASSI { 2859} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 102 and name HN )) 3.900 1.900 1.900 peak 2859 spectrum 1 weight 0.11000E+01 volume 0.29060E-03 ppm1 3.883 ppm2 8.562 CV 1 ASSI { 2860} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 105 and name HG2 )) 4.300 2.300 1.700 peak 2860 spectrum 1 weight 0.11000E+01 volume 0.28608E-03 ppm1 3.874 ppm2 2.524 CV 1 ASSI { 2863} (( segid "A " and resid 105 and name HG1 )) (( segid "A " and resid 105 and name HE21)) 4.200 2.200 1.800 peak 2863 spectrum 1 weight 0.11000E+01 volume 0.11572E-03 ppm1 2.307 ppm2 6.758 CV 1 ASSI { 2865} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 86 and name HN )) 4.400 2.400 1.600 peak 2865 spectrum 1 weight 0.11000E+01 volume 0.24209E-03 ppm1 3.878 ppm2 8.338 CV 1 ASSI { 2866} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 88 and name HN )) 4.600 2.600 1.400 peak 2866 spectrum 1 weight 0.11000E+01 volume 0.16835E-03 ppm1 3.878 ppm2 8.632 CV 1 ASSI { 2867} (( segid "A " and resid 134 and name HB2 )) ( segid "A " and resid 98 and name HD% ) 3.800 1.800 1.800 peak 2867 spectrum 1 weight 0.11000E+01 volume 0.69123E-03 ppm1 3.171 ppm2 6.907 CV 1 ASSI { 2868} (( segid "A " and resid 134 and name HB1 )) ( segid "A " and resid 98 and name HD% ) 3.400 3.400 2.600 peak 2868 spectrum 1 weight 0.11000E+01 volume 0.33075E-02 ppm1 2.986 ppm2 6.890 CV 1 ASSI { 2871} (( segid "A " and resid 27 and name HB )) (( segid "A " and resid 63 and name HA )) 5.800 4.300 0.200 peak 2871 spectrum 1 weight 0.11000E+01 volume 0.91576E-04 ppm1 1.766 ppm2 5.237 CV 1 ASSI { 2872} (( segid "A " and resid 27 and name HB )) ( segid "A " and resid 68 and name HD% ) 6.000 6.000 0.000 peak 2872 spectrum 1 weight 0.11000E+01 volume 0.20499E-04 ppm1 1.742 ppm2 7.097 CV 1 ASSI { 2873} (( segid "A " and resid 27 and name HG12)) (( segid "A " and resid 20 and name HN )) 4.900 3.000 1.100 peak 2873 spectrum 1 weight 0.11000E+01 volume 0.81123E-04 ppm1 0.364 ppm2 7.861 CV 1 ASSI { 2874} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 92 and name HN )) 5.500 3.700 0.500 peak 2874 spectrum 1 weight 0.11000E+01 volume 0.10048E-03 ppm1 3.937 ppm2 7.911 CV 1 ASSI { 2875} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 29 and name HD% ) 5.300 3.500 0.700 peak 2875 spectrum 1 weight 0.11000E+01 volume 0.91032E-04 ppm1 3.939 ppm2 7.343 CV 1 ASSI { 2877} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 32 and name HD1%) 5.600 3.900 0.400 peak 2877 spectrum 1 weight 0.11000E+01 volume 0.17942E-03 ppm1 3.966 ppm2 0.904 CV 1 OR { 2877} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 32 and name HD2%) ASSI { 2878} (( segid "A " and resid 122 and name HG11)) (( segid "A " and resid 119 and name HA )) 4.300 2.300 1.700 peak 2878 spectrum 1 weight 0.11000E+01 volume 0.97265E-04 ppm1 1.058 ppm2 4.306 CV 1 ASSI { 2879} (( segid "A " and resid 122 and name HG11)) (( segid "A " and resid 123 and name HN )) 6.000 4.700 0.000 peak 2879 spectrum 1 weight 0.11000E+01 volume 0.71431E-04 ppm1 1.060 ppm2 7.732 CV 1 ASSI { 2880} (( segid "A " and resid 122 and name HG11)) (( segid "A " and resid 122 and name HB )) 2.600 0.800 0.800 peak 2880 spectrum 1 weight 0.11000E+01 volume 0.15799E-02 ppm1 1.057 ppm2 2.014 CV 1 ASSI { 2881} (( segid "A " and resid 118 and name HG12)) (( segid "A " and resid 111 and name HB1 )) 6.000 4.900 0.000 peak 2881 spectrum 1 weight 0.11000E+01 volume 0.63020E-04 ppm1 1.065 ppm2 3.289 CV 1 ASSI { 2884} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 19 and name HB )) 2.400 0.700 0.700 peak 2884 spectrum 1 weight 0.11000E+01 volume 0.31017E-02 ppm1 1.882 ppm2 1.474 CV 1 ASSI { 2885} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 19 and name HG12)) 2.000 0.500 0.500 peak 2885 spectrum 1 weight 0.11000E+01 volume 0.14121E-01 ppm1 0.728 ppm2 1.855 CV 1 ASSI { 2886} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 19 and name HB )) 2.900 1.000 1.000 peak 2886 spectrum 1 weight 0.11000E+01 volume 0.50905E-02 ppm1 0.724 ppm2 1.477 CV 1 ASSI { 2888} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 27 and name HG12)) 3.600 1.700 1.700 peak 2888 spectrum 1 weight 0.11000E+01 volume 0.60325E-04 ppm1 1.260 ppm2 0.348 CV 1 ASSI { 2890} (( segid "A " and resid 68 and name HB1 )) (( segid "A " and resid 68 and name HB2 )) 1.300 0.200 0.900 peak 2890 spectrum 1 weight 0.11000E+01 volume 0.20857E-01 ppm1 3.279 ppm2 3.404 CV 1 ASSI { 2893} (( segid "A " and resid 52 and name HB1 )) (( segid "A " and resid 52 and name HG1 )) 2.900 1.000 1.000 peak 2893 spectrum 1 weight 0.11000E+01 volume 0.12953E-02 ppm1 1.977 ppm2 2.794 CV 1 ASSI { 2894} (( segid "A " and resid 49 and name HG1 )) (( segid "A " and resid 50 and name HN )) 6.000 5.600 0.000 peak 2894 spectrum 1 weight 0.11000E+01 volume 0.83953E-04 ppm1 1.311 ppm2 7.751 CV 1 ASSI { 2895} (( segid "A " and resid 49 and name HG1 )) ( segid "A " and resid 90 and name HD% ) 6.000 6.000 0.000 peak 2895 spectrum 1 weight 0.11000E+01 volume 0.97510E-04 ppm1 1.316 ppm2 6.559 CV 1 ASSI { 2898} (( segid "A " and resid 49 and name HD2 )) (( segid "A " and resid 49 and name HN )) 6.000 5.400 0.000 peak 2898 spectrum 1 weight 0.11000E+01 volume 0.11036E-03 ppm1 1.565 ppm2 8.350 CV 1 ASSI { 2899} (( segid "A " and resid 49 and name HD2 )) (( segid "A " and resid 49 and name HB2 )) 3.700 1.800 1.800 peak 2899 spectrum 1 weight 0.11000E+01 volume 0.74319E-03 ppm1 1.573 ppm2 2.025 CV 1 ASSI { 2901} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 74 and name HB1 )) 3.500 3.500 2.500 peak 2901 spectrum 1 weight 0.11000E+01 volume 0.74644E-04 ppm1 0.799 ppm2 3.008 CV 1 ASSI { 2902} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 47 and name HB2 )) 3.800 1.800 1.800 peak 2902 spectrum 1 weight 0.11000E+01 volume 0.20847E-02 ppm1 0.798 ppm2 2.516 CV 1 ASSI { 2903} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 47 and name HG2 )) 4.500 2.600 1.500 peak 2903 spectrum 1 weight 0.11000E+01 volume 0.16771E-02 ppm1 0.797 ppm2 2.320 CV 1 ASSI { 2904} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 47 and name HB1 )) 3.000 3.000 3.000 peak 2904 spectrum 1 weight 0.11000E+01 volume 0.35546E-02 ppm1 0.797 ppm2 2.085 CV 1 ASSI { 2905} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 47 and name HN )) 6.000 6.000 0.000 peak 2905 spectrum 1 weight 0.11000E+01 volume 0.77283E-04 ppm1 0.799 ppm2 7.043 CV 1 ASSI { 2906} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HG )) 2.000 2.000 4.000 peak 2906 spectrum 1 weight 0.11000E+01 volume 0.16011E-01 ppm1 0.798 ppm2 1.649 CV 1 ASSI { 2907} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HB1 )) 2.800 1.000 1.000 peak 2907 spectrum 1 weight 0.11000E+01 volume 0.23141E-02 ppm1 0.799 ppm2 1.407 CV 1 ASSI { 2909} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 45 and name HA )) 6.000 5.900 0.000 peak 2909 spectrum 1 weight 0.11000E+01 volume 0.49027E-04 ppm1 0.756 ppm2 3.885 CV 1 ASSI { 2910} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 48 and name HB )) 2.000 0.500 0.500 peak 2910 spectrum 1 weight 0.11000E+01 volume 0.44962E-02 ppm1 1.811 ppm2 2.039 CV 1 ASSI { 2911} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 48 and name HB )) 2.800 1.000 1.000 peak 2911 spectrum 1 weight 0.11000E+01 volume 0.17771E-02 ppm1 0.737 ppm2 2.041 CV 1 ASSI { 2912} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 33 and name HB2 )) 4.600 2.600 1.400 peak 2912 spectrum 1 weight 0.11000E+01 volume 0.62843E-03 ppm1 1.814 ppm2 1.519 CV 1 OR { 2912} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 33 and name HD1 )) ASSI { 2916} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 48 and name HG12)) 1.300 0.200 0.900 peak 2916 spectrum 1 weight 0.11000E+01 volume 0.13625E-01 ppm1 0.731 ppm2 1.808 CV 1 ASSI { 2917} (( segid "A " and resid 58 and name HB1 )) ( segid "A " and resid 57 and name HG2%) 6.000 4.900 0.000 peak 2917 spectrum 1 weight 0.11000E+01 volume 0.19943E-03 ppm1 2.681 ppm2 1.032 CV 1 ASSI { 2919} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 19 and name HB )) 2.600 0.900 0.900 peak 2919 spectrum 1 weight 0.11000E+01 volume 0.11407E-02 ppm1 0.730 ppm2 1.482 CV 1 ASSI { 2920} (( segid "A " and resid 32 and name HB1 )) (( segid "A " and resid 32 and name HB2 )) 1.300 0.200 0.900 peak 2920 spectrum 1 weight 0.11000E+01 volume 0.15963E-01 ppm1 1.413 ppm2 1.935 CV 1 ASSI { 2922} (( segid "A " and resid 32 and name HB2 )) (( segid "A " and resid 32 and name HG )) 2.100 0.500 0.500 peak 2922 spectrum 1 weight 0.11000E+01 volume 0.44696E-02 ppm1 1.939 ppm2 1.509 CV 1 ASSI { 2924} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 2924 spectrum 1 weight 0.11000E+01 volume 0.32764E-02 ppm1 0.897 ppm2 1.974 CV 1 ASSI { 2925} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 32 and name HG )) 1.900 0.500 0.500 peak 2925 spectrum 1 weight 0.11000E+01 volume 0.11236E-01 ppm1 0.897 ppm2 1.496 CV 1 ASSI { 2926} ( segid "A " and resid 32 and name HD1%) ( segid "A " and resid 27 and name HD1%) 4.600 4.600 1.400 peak 2926 spectrum 1 weight 0.11000E+01 volume 0.10995E-02 ppm1 0.901 ppm2 0.111 CV 1 ASSI { 2930} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 48 and name HB )) 2.300 2.300 3.700 peak 2930 spectrum 1 weight 0.11000E+01 volume 0.76420E-02 ppm1 0.753 ppm2 2.036 CV 1 ASSI { 2932} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 43 and name HN )) 5.500 3.800 0.500 peak 2932 spectrum 1 weight 0.11000E+01 volume 0.11893E-03 ppm1 0.751 ppm2 7.848 CV 1 ASSI { 2934} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 45 and name HA )) 2.300 2.300 3.700 peak 2934 spectrum 1 weight 0.11000E+01 volume 0.56725E-02 ppm1 0.757 ppm2 3.879 CV 1 ASSI { 2935} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 68 and name HB2 )) 3.300 3.300 2.700 peak 2935 spectrum 1 weight 0.11000E+01 volume 0.10788E-03 ppm1 0.732 ppm2 3.384 CV 1 ASSI { 2936} ( segid "A " and resid 69 and name HG2%) ( segid "A " and resid 68 and name HD% ) 5.900 5.900 0.100 peak 2936 spectrum 1 weight 0.11000E+01 volume 0.20129E-03 ppm1 0.733 ppm2 7.043 CV 1 ASSI { 2938} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HB2 )) 2.900 1.100 1.100 peak 2938 spectrum 1 weight 0.11000E+01 volume 0.40254E-02 ppm1 0.811 ppm2 1.860 CV 1 ASSI { 2939} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HG )) 2.500 0.800 0.800 peak 2939 spectrum 1 weight 0.11000E+01 volume 0.50322E-02 ppm1 0.806 ppm2 1.611 CV 1 ASSI { 2941} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 56 and name HB2 )) 4.200 4.200 1.800 peak 2941 spectrum 1 weight 0.11000E+01 volume 0.79851E-03 ppm1 0.839 ppm2 3.005 CV 1 ASSI { 2942} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HB2 )) 3.500 1.500 1.500 peak 2942 spectrum 1 weight 0.11000E+01 volume 0.10314E-02 ppm1 0.836 ppm2 1.897 CV 1 ASSI { 2943} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HG )) 2.500 0.800 0.800 peak 2943 spectrum 1 weight 0.11000E+01 volume 0.48448E-02 ppm1 0.836 ppm2 1.609 CV 1 ASSI { 2945} (( segid "A " and resid 52 and name HB2 )) (( segid "A " and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 2945 spectrum 1 weight 0.11000E+01 volume 0.18699E-02 ppm1 2.474 ppm2 2.789 CV 1 ASSI { 2946} (( segid "A " and resid 52 and name HG2 )) (( segid "A " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 2946 spectrum 1 weight 0.11000E+01 volume 0.49979E-02 ppm1 2.530 ppm2 2.014 CV 1 OR { 2946} (( segid "A " and resid 52 and name HG2 )) ( segid "A " and resid 52 and name HE% ) ASSI { 2948} (( segid "A " and resid 52 and name HG1 )) ( segid "A " and resid 49 and name HZ% ) 3.500 3.500 2.500 peak 2948 spectrum 1 weight 0.11000E+01 volume 0.75623E-04 ppm1 2.802 ppm2 7.285 CV 1 ASSI { 2950} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 60 and name HB1 )) 1.800 0.400 0.400 peak 2950 spectrum 1 weight 0.11000E+01 volume 0.14516E-01 ppm1 4.005 ppm2 4.266 CV 1 OR { 2950} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 60 and name HA )) ASSI { 2952} (( segid "A " and resid 15 and name HB2 )) ( segid "A " and resid 68 and name HD% ) 6.000 6.000 0.000 peak 2952 spectrum 1 weight 0.11000E+01 volume 0.90106E-04 ppm1 2.112 ppm2 7.036 CV 1 ASSI { 2953} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 19 and name HD1%) 6.000 4.900 0.000 peak 2953 spectrum 1 weight 0.11000E+01 volume 0.11839E-03 ppm1 4.226 ppm2 0.719 CV 1 OR { 2953} (( segid "A " and resid 15 and name HA )) (( segid "A " and resid 19 and name HG11)) ASSI { 2954} (( segid "A " and resid 15 and name HG )) (( segid "A " and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 2954 spectrum 1 weight 0.11000E+01 volume 0.59817E-02 ppm1 1.781 ppm2 2.110 CV 1 ASSI { 2955} (( segid "A " and resid 15 and name HG )) (( segid "A " and resid 15 and name HA )) 2.800 1.000 1.000 peak 2955 spectrum 1 weight 0.11000E+01 volume 0.28283E-02 ppm1 1.772 ppm2 4.210 CV 1 ASSI { 2960} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 18 and name HB2 )) 4.400 2.400 1.600 peak 2960 spectrum 1 weight 0.11000E+01 volume 0.44811E-03 ppm1 1.024 ppm2 2.278 CV 1 ASSI { 2961} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 18 and name HG2 )) 6.000 4.600 0.000 peak 2961 spectrum 1 weight 0.11000E+01 volume 0.12974E-03 ppm1 1.023 ppm2 2.519 CV 1 ASSI { 2962} ( segid "A " and resid 15 and name HD1%) ( segid "A " and resid 19 and name HD1%) 3.700 1.700 1.700 peak 2962 spectrum 1 weight 0.11000E+01 volume 0.13637E-02 ppm1 1.025 ppm2 0.726 CV 1 OR { 2962} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 19 and name HG11)) ASSI { 2964} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 15 and name HN )) 6.000 5.800 0.000 peak 2964 spectrum 1 weight 0.11000E+01 volume 0.95032E-04 ppm1 1.021 ppm2 7.910 CV 1 ASSI { 2965} ( segid "A " and resid 15 and name HD2%) ( segid "A " and resid 19 and name HD1%) 4.800 2.900 1.200 peak 2965 spectrum 1 weight 0.11000E+01 volume 0.70919E-03 ppm1 1.039 ppm2 0.735 CV 1 OR { 2965} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 19 and name HG11)) ASSI { 2966} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 2966 spectrum 1 weight 0.11000E+01 volume 0.32605E-02 ppm1 1.040 ppm2 2.105 CV 1 ASSI { 2967} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 15 and name HB1 )) 2.400 2.400 3.600 peak 2967 spectrum 1 weight 0.11000E+01 volume 0.82436E-02 ppm1 1.040 ppm2 1.855 CV 1 ASSI { 2968} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 16 and name HN )) 6.000 6.000 0.000 peak 2968 spectrum 1 weight 0.11000E+01 volume 0.16878E-03 ppm1 1.039 ppm2 8.458 CV 1 ASSI { 2969} ( segid "A " and resid 15 and name HD2%) (( segid "A " and resid 15 and name HN )) 6.000 5.300 0.000 peak 2969 spectrum 1 weight 0.11000E+01 volume 0.15102E-03 ppm1 1.038 ppm2 7.915 CV 1 ASSI { 2971} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 99 and name HN )) 3.700 1.700 1.700 peak 2971 spectrum 1 weight 0.11000E+01 volume 0.22429E-03 ppm1 0.180 ppm2 10.150 CV 1 ASSI { 2972} (( segid "A " and resid 99 and name HG11)) ( segid "A " and resid 138 and name HD% ) 6.000 6.000 0.000 peak 2972 spectrum 1 weight 0.11000E+01 volume 0.51041E-04 ppm1 0.178 ppm2 7.009 CV 1 OR { 2972} (( segid "A " and resid 99 and name HG11)) ( segid "A " and resid 138 and name HE% ) ASSI { 2974} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 133 and name HB )) 4.700 2.800 1.300 peak 2974 spectrum 1 weight 0.11000E+01 volume 0.12441E-03 ppm1 0.161 ppm2 2.103 CV 1 ASSI { 2975} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 99 and name HB )) 2.800 1.000 1.000 peak 2975 spectrum 1 weight 0.11000E+01 volume 0.65334E-03 ppm1 0.175 ppm2 1.718 CV 1 ASSI { 2976} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 92 and name HB2 )) 4.000 2.000 2.000 peak 2976 spectrum 1 weight 0.11000E+01 volume 0.24125E-03 ppm1 0.176 ppm2 1.398 CV 1 ASSI { 2977} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 99 and name HG12)) 1.500 0.300 0.700 peak 2977 spectrum 1 weight 0.11000E+01 volume 0.76970E-02 ppm1 0.173 ppm2 1.122 CV 1 ASSI { 2978} (( segid "A " and resid 99 and name HG11)) ( segid "A " and resid 99 and name HG2%) 3.200 1.300 1.300 peak 2978 spectrum 1 weight 0.11000E+01 volume 0.26695E-02 ppm1 0.173 ppm2 0.798 CV 1 ASSI { 2981} (( segid "A " and resid 69 and name HG11)) (( segid "A " and resid 70 and name HN )) 6.000 4.900 0.000 peak 2981 spectrum 1 weight 0.11000E+01 volume 0.10176E-03 ppm1 1.105 ppm2 7.398 CV 1 ASSI { 2984} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 99 and name HB )) 2.500 2.500 3.500 peak 2984 spectrum 1 weight 0.11000E+01 volume 0.25275E-02 ppm1 0.176 ppm2 1.699 CV 1 ASSI { 2986} ( segid "A " and resid 99 and name HD1%) ( segid "A " and resid 99 and name HG2%) 2.200 2.200 3.800 peak 2986 spectrum 1 weight 0.11000E+01 volume 0.50194E-02 ppm1 0.176 ppm2 0.797 CV 1 ASSI { 2987} ( segid "A " and resid 99 and name HG2%) (( segid "A " and resid 133 and name HB )) 3.800 1.800 1.800 peak 2987 spectrum 1 weight 0.11000E+01 volume 0.82357E-03 ppm1 0.805 ppm2 2.101 CV 1 ASSI { 2989} ( segid "A " and resid 99 and name HG2%) (( segid "A " and resid 99 and name HN )) 5.500 3.800 0.500 peak 2989 spectrum 1 weight 0.11000E+01 volume 0.15555E-03 ppm1 0.805 ppm2 10.148 CV 1 ASSI { 2992} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 137 and name HG1 )) 5.000 5.000 1.000 peak 2992 spectrum 1 weight 0.11000E+01 volume 0.36557E-03 ppm1 0.746 ppm2 2.911 CV 1 ASSI { 2993} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 127 and name HG1 )) 3.600 3.600 2.400 peak 2993 spectrum 1 weight 0.11000E+01 volume 0.10821E-02 ppm1 0.741 ppm2 2.498 CV 1 ASSI { 2994} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 137 and name HB2 )) 5.200 5.200 0.800 peak 2994 spectrum 1 weight 0.11000E+01 volume 0.81881E-03 ppm1 0.752 ppm2 2.606 CV 1 ASSI { 2995} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 133 and name HB )) 2.400 0.700 0.700 peak 2995 spectrum 1 weight 0.11000E+01 volume 0.46132E-02 ppm1 0.745 ppm2 2.108 CV 1 ASSI { 2996} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 133 and name HG12)) 2.000 0.500 0.500 peak 2996 spectrum 1 weight 0.11000E+01 volume 0.66489E-02 ppm1 0.745 ppm2 1.390 CV 1 ASSI { 2997} ( segid "A " and resid 133 and name HD1%) ( segid "A " and resid 133 and name HG2%) 2.200 2.200 3.800 peak 2997 spectrum 1 weight 0.11000E+01 volume 0.40598E-02 ppm1 0.745 ppm2 1.207 CV 1 ASSI { 2998} ( segid "A " and resid 133 and name HD1%) ( segid "A " and resid 99 and name HD1%) 3.600 1.600 1.600 peak 2998 spectrum 1 weight 0.11000E+01 volume 0.76472E-03 ppm1 0.749 ppm2 0.188 CV 1 OR { 2998} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 99 and name HG11)) ASSI { 2999} ( segid "A " and resid 19 and name HD1%) ( segid "A " and resid 15 and name HD1%) 2.900 1.000 1.000 peak 2999 spectrum 1 weight 0.11000E+01 volume 0.75909E-02 ppm1 0.735 ppm2 1.028 CV 1 OR { 2999} ( segid "A " and resid 19 and name HD1%) ( segid "A " and resid 15 and name HD2%) ASSI { 3002} (( segid "A " and resid 125 and name HB )) (( segid "A " and resid 122 and name HN )) 2.900 2.900 3.100 peak 3002 spectrum 1 weight 0.11000E+01 volume 0.24051E-03 ppm1 1.850 ppm2 8.245 CV 1 ASSI { 3003} (( segid "A " and resid 36 and name HB2 )) (( segid "A " and resid 36 and name HB1 )) 1.500 0.300 0.700 peak 3003 spectrum 1 weight 0.11000E+01 volume 0.13101E-01 ppm1 1.858 ppm2 1.460 CV 1 ASSI { 3005} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 123 and name HN )) 6.000 6.000 0.000 peak 3005 spectrum 1 weight 0.11000E+01 volume 0.75787E-04 ppm1 0.757 ppm2 7.721 CV 1 ASSI { 3006} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HG12)) 2.600 0.800 0.800 peak 3006 spectrum 1 weight 0.11000E+01 volume 0.34769E-02 ppm1 0.755 ppm2 1.164 CV 1 ASSI { 3007} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 121 and name HG1 )) 5.500 3.800 0.500 peak 3007 spectrum 1 weight 0.11000E+01 volume 0.69825E-04 ppm1 0.754 ppm2 2.625 CV 1 ASSI { 3009} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 121 and name HG2 )) 2.900 1.100 1.100 peak 3009 spectrum 1 weight 0.11000E+01 volume 0.17967E-02 ppm1 0.755 ppm2 2.434 CV 1 ASSI { 3011} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 126 and name HN )) 4.900 3.100 1.100 peak 3011 spectrum 1 weight 0.11000E+01 volume 0.26944E-03 ppm1 0.927 ppm2 8.187 CV 1 ASSI { 3013} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 122 and name HA )) 5.800 5.800 0.200 peak 3013 spectrum 1 weight 0.11000E+01 volume 0.16714E-03 ppm1 0.923 ppm2 3.592 CV 1 ASSI { 3018} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 103 and name HG1 )) 2.100 0.500 0.500 peak 3018 spectrum 1 weight 0.11000E+01 volume 0.76299E-02 ppm1 2.578 ppm2 2.314 CV 1 ASSI { 3019} (( segid "A " and resid 103 and name HB1 )) (( segid "A " and resid 103 and name HG1 )) 2.900 1.100 1.100 peak 3019 spectrum 1 weight 0.11000E+01 volume 0.36879E-02 ppm1 2.510 ppm2 2.311 CV 1 ASSI { 3021} (( segid "A " and resid 103 and name HG1 )) (( segid "A " and resid 103 and name HG2 )) 1.500 0.300 0.700 peak 3021 spectrum 1 weight 0.11000E+01 volume 0.30059E-01 ppm1 2.312 ppm2 2.553 CV 1 OR { 3021} (( segid "A " and resid 103 and name HG1 )) (( segid "A " and resid 103 and name HB2 )) OR { 3021} (( segid "A " and resid 103 and name HG1 )) (( segid "A " and resid 103 and name HB1 )) ASSI { 3022} (( segid "A " and resid 103 and name HG1 )) (( segid "A " and resid 93 and name HB2 )) 4.200 2.200 1.800 peak 3022 spectrum 1 weight 0.11000E+01 volume 0.12574E-02 ppm1 2.312 ppm2 1.818 CV 1 ASSI { 3023} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 93 and name HB2 )) 4.500 2.600 1.500 peak 3023 spectrum 1 weight 0.11000E+01 volume 0.12087E-03 ppm1 2.548 ppm2 1.822 CV 1 ASSI { 3024} (( segid "A " and resid 103 and name HG2 )) ( segid "A " and resid 99 and name HG2%) 6.000 5.100 0.000 peak 3024 spectrum 1 weight 0.11000E+01 volume 0.20465E-03 ppm1 2.556 ppm2 0.800 CV 1 ASSI { 3025} ( segid "A " and resid 104 and name HG2%) ( segid "A " and resid 111 and name HD% ) 4.900 4.900 1.100 peak 3025 spectrum 1 weight 0.11000E+01 volume 0.23843E-03 ppm1 0.828 ppm2 7.336 CV 1 OR { 3025} ( segid "A " and resid 104 and name HG2%) ( segid "A " and resid 111 and name HE% ) ASSI { 3026} ( segid "A " and resid 104 and name HG2%) ( segid "A " and resid 91 and name HD% ) 5.200 5.200 0.800 peak 3026 spectrum 1 weight 0.11000E+01 volume 0.98409E-04 ppm1 0.830 ppm2 7.252 CV 1 ASSI { 3029} ( segid "A " and resid 104 and name HG2%) ( segid "A " and resid 104 and name HD1%) 2.400 2.400 3.600 peak 3029 spectrum 1 weight 0.11000E+01 volume 0.37169E-02 ppm1 0.826 ppm2 0.600 CV 1 ASSI { 3032} (( segid "A " and resid 108 and name HB2 )) (( segid "A " and resid 108 and name HB1 )) 1.800 0.400 0.400 peak 3032 spectrum 1 weight 0.11000E+01 volume 0.79991E-02 ppm1 3.408 ppm2 2.874 CV 1 ASSI { 3037} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 102 and name HN )) 2.900 2.900 3.100 peak 3037 spectrum 1 weight 0.11000E+01 volume 0.25589E-03 ppm1 0.771 ppm2 8.559 CV 1 ASSI { 3038} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 101 and name HN )) 3.300 3.300 2.700 peak 3038 spectrum 1 weight 0.11000E+01 volume 0.11006E-03 ppm1 0.778 ppm2 9.062 CV 1 ASSI { 3039} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 133 and name HN )) 5.400 3.600 0.600 peak 3039 spectrum 1 weight 0.11000E+01 volume 0.18525E-03 ppm1 0.772 ppm2 9.186 CV 1 ASSI { 3040} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HB )) 2.500 0.800 0.800 peak 3040 spectrum 1 weight 0.11000E+01 volume 0.49257E-02 ppm1 0.779 ppm2 2.010 CV 1 ASSI { 3041} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HG12)) 1.900 0.500 0.500 peak 3041 spectrum 1 weight 0.11000E+01 volume 0.12340E-01 ppm1 0.778 ppm2 1.669 CV 1 ASSI { 3042} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HG11)) 2.200 0.600 0.600 peak 3042 spectrum 1 weight 0.11000E+01 volume 0.62166E-02 ppm1 0.776 ppm2 1.064 CV 1 ASSI { 3043} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 105 and name HG2 )) 4.500 2.500 1.500 peak 3043 spectrum 1 weight 0.11000E+01 volume 0.31772E-03 ppm1 0.780 ppm2 2.500 CV 1 ASSI { 3044} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 119 and name HB2 )) 3.300 3.300 2.700 peak 3044 spectrum 1 weight 0.11000E+01 volume 0.10279E-03 ppm1 0.774 ppm2 2.687 CV 1 ASSI { 3045} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 134 and name HN )) 3.300 1.300 1.300 peak 3045 spectrum 1 weight 0.11000E+01 volume 0.62589E-03 ppm1 2.984 ppm2 9.425 CV 1 ASSI { 3046} (( segid "A " and resid 134 and name HB2 )) (( segid "A " and resid 134 and name HN )) 4.200 2.200 1.800 peak 3046 spectrum 1 weight 0.11000E+01 volume 0.15941E-03 ppm1 3.166 ppm2 9.439 CV 1 ASSI { 3047} (( segid "A " and resid 132 and name HG2 )) ( segid "A " and resid 100 and name HG2%) 3.100 3.100 2.900 peak 3047 spectrum 1 weight 0.11000E+01 volume 0.14996E-03 ppm1 2.048 ppm2 1.289 CV 1 ASSI { 3048} (( segid "A " and resid 132 and name HG1 )) ( segid "A " and resid 100 and name HG2%) 2.900 2.900 3.100 peak 3048 spectrum 1 weight 0.11000E+01 volume 0.25772E-03 ppm1 1.924 ppm2 1.296 CV 1 ASSI { 3049} (( segid "A " and resid 88 and name HB1 )) ( segid "A " and resid 88 and name HD% ) 3.300 1.400 1.400 peak 3049 spectrum 1 weight 0.11000E+01 volume 0.79153E-03 ppm1 3.232 ppm2 6.757 CV 1 ASSI { 3050} ( segid "A " and resid 99 and name HD1%) ( segid "A " and resid 88 and name HD% ) 4.500 4.500 1.500 peak 3050 spectrum 1 weight 0.11000E+01 volume 0.23721E-03 ppm1 0.179 ppm2 6.756 CV 1 ASSI { 3052} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 3052 spectrum 1 weight 0.11000E+01 volume 0.28529E-04 ppm1 0.183 ppm2 2.377 CV 1 ASSI { 3053} (( segid "A " and resid 138 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 4.500 2.500 1.500 peak 3053 spectrum 1 weight 0.11000E+01 volume 0.22214E-03 ppm1 3.340 ppm2 6.761 CV 1 ASSI { 3054} (( segid "A " and resid 138 and name HB1 )) ( segid "A " and resid 88 and name HD% ) 5.600 5.600 0.400 peak 3054 spectrum 1 weight 0.11000E+01 volume 0.43474E-04 ppm1 3.178 ppm2 6.768 CV 1 ASSI { 3055} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 29 and name HB2 )) 3.200 1.300 1.300 peak 3055 spectrum 1 weight 0.11000E+01 volume 0.26089E-02 ppm1 2.034 ppm2 3.375 CV 1 ASSI { 3056} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 59 and name HE2 )) 2.800 2.800 3.200 peak 3056 spectrum 1 weight 0.11000E+01 volume 0.20957E-02 ppm1 2.033 ppm2 3.050 CV 1 ASSI { 3057} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 52 and name HG1 )) 2.500 0.800 0.800 peak 3057 spectrum 1 weight 0.11000E+01 volume 0.40556E-02 ppm1 2.034 ppm2 2.797 CV 1 ASSI { 3058} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 52 and name HG2 )) 2.600 0.800 0.800 peak 3058 spectrum 1 weight 0.11000E+01 volume 0.51047E-02 ppm1 2.034 ppm2 2.528 CV 1 ASSI { 3059} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 63 and name HG12)) 3.600 1.600 1.600 peak 3059 spectrum 1 weight 0.11000E+01 volume 0.35846E-02 ppm1 2.032 ppm2 1.598 CV 1 ASSI { 3060} ( segid "A " and resid 52 and name HE% ) ( segid "A " and resid 28 and name HG2%) 4.100 4.100 1.900 peak 3060 spectrum 1 weight 0.11000E+01 volume 0.24770E-02 ppm1 2.033 ppm2 1.279 CV 1 ASSI { 3061} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 32 and name HB1 )) 4.500 2.500 1.500 peak 3061 spectrum 1 weight 0.11000E+01 volume 0.66615E-03 ppm1 2.034 ppm2 1.380 CV 1 ASSI { 3062} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 63 and name HG11)) 2.100 2.100 3.900 peak 3062 spectrum 1 weight 0.11000E+01 volume 0.69905E-02 ppm1 2.036 ppm2 1.064 CV 1 ASSI { 3063} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 27 and name HB )) 5.500 3.800 0.500 peak 3063 spectrum 1 weight 0.11000E+01 volume 0.22286E-03 ppm1 4.967 ppm2 1.741 CV 1 ASSI { 3064} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 27 and name HG11)) 4.000 2.000 2.000 peak 3064 spectrum 1 weight 0.11000E+01 volume 0.33559E-03 ppm1 4.966 ppm2 0.936 CV 1 ASSI { 3065} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 61 and name HN )) 3.400 1.400 1.400 peak 3065 spectrum 1 weight 0.11000E+01 volume 0.11043E-02 ppm1 4.306 ppm2 -0.623 CV 1 ASSI { 3066} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 26 and name HN )) 5.900 4.300 0.100 peak 3066 spectrum 1 weight 0.11000E+01 volume 0.32430E-03 ppm1 4.296 ppm2 7.750 CV 1 ASSI { 3068} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 27 and name HA )) 6.000 5.300 0.000 peak 3068 spectrum 1 weight 0.11000E+01 volume 0.54335E-04 ppm1 1.091 ppm2 5.007 CV 1 ASSI { 3069} ( segid "A " and resid 62 and name HG2%) ( segid "A " and resid 28 and name HG2%) 2.500 2.500 3.500 peak 3069 spectrum 1 weight 0.11000E+01 volume 0.55857E-02 ppm1 1.095 ppm2 1.295 CV 1 ASSI { 3070} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 28 and name HB )) 4.500 2.500 1.500 peak 3070 spectrum 1 weight 0.11000E+01 volume 0.12419E-03 ppm1 1.274 ppm2 4.650 CV 1 ASSI { 3072} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 31 and name HB2 )) 5.100 3.300 0.900 peak 3072 spectrum 1 weight 0.11000E+01 volume 0.42834E-03 ppm1 1.273 ppm2 2.346 CV 1 OR { 3072} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 31 and name HG2 )) ASSI { 3074} ( segid "A " and resid 100 and name HG2%) (( segid "A " and resid 99 and name HG11)) 6.000 6.000 0.000 peak 3074 spectrum 1 weight 0.11000E+01 volume 0.10045E-03 ppm1 1.276 ppm2 0.185 CV 1 ASSI { 3076} ( segid "A " and resid 100 and name HG2%) (( segid "A " and resid 103 and name HN )) 6.000 4.600 0.000 peak 3076 spectrum 1 weight 0.11000E+01 volume 0.16137E-03 ppm1 1.279 ppm2 7.528 CV 1 ASSI { 3079} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 36 and name HB1 )) 3.400 1.500 1.500 peak 3079 spectrum 1 weight 0.11000E+01 volume 0.43448E-02 ppm1 0.801 ppm2 1.474 CV 1 ASSI { 3081} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 29 and name HB1 )) 4.800 2.900 1.200 peak 3081 spectrum 1 weight 0.11000E+01 volume 0.26452E-03 ppm1 4.081 ppm2 3.053 CV 1 ASSI { 3082} (( segid "A " and resid 29 and name HB2 )) (( segid "A " and resid 52 and name HG1 )) 4.900 3.000 1.100 peak 3082 spectrum 1 weight 0.11000E+01 volume 0.21516E-03 ppm1 3.378 ppm2 2.788 CV 1 ASSI { 3083} (( segid "A " and resid 29 and name HB2 )) (( segid "A " and resid 52 and name HG2 )) 6.000 4.500 0.000 peak 3083 spectrum 1 weight 0.11000E+01 volume 0.94270E-04 ppm1 3.391 ppm2 2.513 CV 1 OR { 3083} (( segid "A " and resid 29 and name HB2 )) (( segid "A " and resid 52 and name HB2 )) ASSI { 3090} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 122 and name HB )) 1.900 1.900 4.100 peak 3090 spectrum 1 weight 0.11000E+01 volume 0.78998E-02 ppm1 0.830 ppm2 2.022 CV 1 ASSI { 3092} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 69 and name HG11)) 2.400 0.700 0.700 peak 3092 spectrum 1 weight 0.11000E+01 volume 0.57226E-02 ppm1 0.656 ppm2 1.135 CV 1 OR { 3092} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 69 and name HG12)) ASSI { 3093} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 12 and name HG )) 4.800 2.900 1.200 peak 3093 spectrum 1 weight 0.11000E+01 volume 0.16636E-03 ppm1 0.647 ppm2 1.670 CV 1 ASSI { 3094} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 69 and name HB )) 3.400 1.400 1.400 peak 3094 spectrum 1 weight 0.11000E+01 volume 0.23753E-02 ppm1 0.656 ppm2 1.832 CV 1 ASSI { 3095} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 12 and name HB1 )) 4.800 2.900 1.200 peak 3095 spectrum 1 weight 0.11000E+01 volume 0.12451E-03 ppm1 0.654 ppm2 2.109 CV 1 ASSI { 3096} ( segid "A " and resid 69 and name HD1%) ( segid "A " and resid 65 and name HD% ) 5.100 3.300 0.900 peak 3096 spectrum 1 weight 0.11000E+01 volume 0.12623E-03 ppm1 0.651 ppm2 6.352 CV 1 ASSI { 3097} ( segid "A " and resid 69 and name HD1%) ( segid "A " and resid 68 and name HD% ) 4.400 4.400 1.600 peak 3097 spectrum 1 weight 0.11000E+01 volume 0.21783E-03 ppm1 0.650 ppm2 6.993 CV 1 ASSI { 3098} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 69 and name HN )) 5.300 3.600 0.700 peak 3098 spectrum 1 weight 0.11000E+01 volume 0.18612E-03 ppm1 0.659 ppm2 8.146 CV 1 ASSI { 3100} ( segid "A " and resid 57 and name HD1%) (( segid "A " and resid 57 and name HG12)) 2.600 0.800 0.800 peak 3100 spectrum 1 weight 0.11000E+01 volume 0.32378E-02 ppm1 0.951 ppm2 1.418 CV 1 ASSI { 3101} ( segid "A " and resid 57 and name HD1%) (( segid "A " and resid 57 and name HG11)) 2.400 0.700 0.700 peak 3101 spectrum 1 weight 0.11000E+01 volume 0.55905E-02 ppm1 0.954 ppm2 1.648 CV 1 ASSI { 3102} ( segid "A " and resid 57 and name HD1%) (( segid "A " and resid 57 and name HB )) 3.500 1.500 1.500 peak 3102 spectrum 1 weight 0.11000E+01 volume 0.34356E-02 ppm1 0.956 ppm2 2.044 CV 1 ASSI { 3103} ( segid "A " and resid 57 and name HD1%) (( segid "A " and resid 57 and name HA )) 3.000 1.100 1.100 peak 3103 spectrum 1 weight 0.11000E+01 volume 0.28637E-02 ppm1 0.959 ppm2 3.899 CV 1 ASSI { 3105} ( segid "A " and resid 57 and name HD1%) (( segid "A " and resid 67 and name HG2 )) 4.800 2.900 1.200 peak 3105 spectrum 1 weight 0.11000E+01 volume 0.97338E-03 ppm1 0.960 ppm2 2.407 CV 1 ASSI { 3106} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 61 and name HN )) 4.700 2.800 1.300 peak 3106 spectrum 1 weight 0.11000E+01 volume 0.34429E-03 ppm1 2.031 ppm2 -0.641 CV 1 ASSI { 3110} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 48 and name HG12)) 2.200 2.200 3.800 peak 3110 spectrum 1 weight 0.11000E+01 volume 0.51527E-02 ppm1 0.771 ppm2 1.835 CV 1 ASSI { 3111} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 32 and name HG )) 2.000 2.000 4.000 peak 3111 spectrum 1 weight 0.11000E+01 volume 0.92790E-02 ppm1 0.780 ppm2 1.476 CV 1 ASSI { 3113} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 33 and name HG2 )) 2.700 2.700 3.300 peak 3113 spectrum 1 weight 0.11000E+01 volume 0.28751E-02 ppm1 0.778 ppm2 1.262 CV 1 ASSI { 3114} (( segid "A " and resid 33 and name HE2 )) ( segid "A " and resid 29 and name HE% ) 6.000 5.200 0.000 peak 3114 spectrum 1 weight 0.11000E+01 volume 0.16156E-03 ppm1 2.831 ppm2 7.241 CV 1 OR { 3114} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 29 and name HZ )) ASSI { 3116} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 58 and name HB2 )) 5.200 3.400 0.800 peak 3116 spectrum 1 weight 0.11000E+01 volume 0.19333E-03 ppm1 1.031 ppm2 3.124 CV 1 ASSI { 3117} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 67 and name HG1 )) 6.000 6.000 0.000 peak 3117 spectrum 1 weight 0.11000E+01 volume 0.27832E-03 ppm1 1.034 ppm2 2.981 CV 1 ASSI { 3119} ( segid "A " and resid 57 and name HG2%) (( segid "A " and resid 67 and name HG2 )) 6.000 5.000 0.000 peak 3119 spectrum 1 weight 0.11000E+01 volume 0.14485E-03 ppm1 1.032 ppm2 2.414 CV 1 ASSI { 3122} (( segid "A " and resid 131 and name HA1 )) (( segid "A " and resid 126 and name HB2 )) 6.000 4.700 0.000 peak 3122 spectrum 1 weight 0.11000E+01 volume 0.99770E-04 ppm1 3.460 ppm2 2.925 CV 1 ASSI { 3124} (( segid "A " and resid 131 and name HA2 )) (( segid "A " and resid 132 and name HG1 )) 6.000 4.800 0.000 peak 3124 spectrum 1 weight 0.11000E+01 volume 0.12008E-03 ppm1 4.021 ppm2 1.922 CV 1 ASSI { 3126} (( segid "A " and resid 99 and name HB )) ( segid "A " and resid 133 and name HG2%) 5.800 4.200 0.200 peak 3126 spectrum 1 weight 0.11000E+01 volume 0.11069E-03 ppm1 1.707 ppm2 1.214 CV 1 ASSI { 3130} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 32 and name HA )) 2.300 0.700 0.700 peak 3130 spectrum 1 weight 0.11000E+01 volume 0.26647E-02 ppm1 0.869 ppm2 3.872 CV 1 ASSI { 3131} (( segid "A " and resid 63 and name HG11)) ( segid "A " and resid 63 and name HG2%) 4.700 2.700 1.300 peak 3131 spectrum 1 weight 0.11000E+01 volume 0.36582E-03 ppm1 1.080 ppm2 1.273 CV 1 ASSI { 3134} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 63 and name HN )) 4.800 2.900 1.200 peak 3134 spectrum 1 weight 0.11000E+01 volume 0.66392E-03 ppm1 0.937 ppm2 9.673 CV 1 ASSI { 3136} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 67 and name HB2 )) 5.000 3.100 1.000 peak 3136 spectrum 1 weight 0.11000E+01 volume 0.69569E-03 ppm1 0.930 ppm2 2.540 CV 1 ASSI { 3137} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 56 and name HB1 )) 4.400 2.400 1.600 peak 3137 spectrum 1 weight 0.11000E+01 volume 0.13048E-02 ppm1 0.929 ppm2 2.413 CV 1 ASSI { 3138} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 63 and name HB )) 2.300 2.300 3.700 peak 3138 spectrum 1 weight 0.11000E+01 volume 0.44024E-02 ppm1 0.931 ppm2 2.034 CV 1 ASSI { 3139} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 63 and name HG12)) 2.200 0.600 0.600 peak 3139 spectrum 1 weight 0.11000E+01 volume 0.56828E-02 ppm1 0.934 ppm2 1.600 CV 1 ASSI { 3144} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 57 and name HN )) 6.000 5.500 0.000 peak 3144 spectrum 1 weight 0.11000E+01 volume 0.12835E-03 ppm1 0.926 ppm2 8.006 CV 1 ASSI { 3146} (( segid "A " and resid 99 and name HG12)) (( segid "A " and resid 133 and name HB )) 6.000 4.600 0.000 peak 3146 spectrum 1 weight 0.11000E+01 volume 0.99960E-04 ppm1 1.098 ppm2 2.137 CV 1 ASSI { 3147} (( segid "A " and resid 69 and name HG11)) (( segid "A " and resid 69 and name HB )) 2.600 0.900 0.900 peak 3147 spectrum 1 weight 0.11000E+01 volume 0.22949E-02 ppm1 1.095 ppm2 1.812 CV 1 ASSI { 3148} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 133 and name HN )) 6.000 6.000 0.000 peak 3148 spectrum 1 weight 0.11000E+01 volume 0.56541E-04 ppm1 0.181 ppm2 9.211 CV 1 ASSI { 3149} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 92 and name HN )) 4.800 2.800 1.200 peak 3149 spectrum 1 weight 0.11000E+01 volume 0.55233E-04 ppm1 0.185 ppm2 7.873 CV 1 ASSI { 3152} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 139 and name HN )) 6.000 5.800 0.000 peak 3152 spectrum 1 weight 0.11000E+01 volume 0.87329E-04 ppm1 1.196 ppm2 9.006 CV 1 ASSI { 3155} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 99 and name HN )) 5.600 3.900 0.400 peak 3155 spectrum 1 weight 0.11000E+01 volume 0.94108E-04 ppm1 5.263 ppm2 10.131 CV 1 ASSI { 3156} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 132 and name HG2 )) 3.700 1.700 1.700 peak 3156 spectrum 1 weight 0.11000E+01 volume 0.10907E-02 ppm1 4.852 ppm2 2.033 CV 1 ASSI { 3158} ( segid "A " and resid 21 and name HG2%) (( segid "A " and resid 22 and name HA )) 6.000 6.000 0.000 peak 3158 spectrum 1 weight 0.11000E+01 volume 0.53437E-04 ppm1 1.294 ppm2 4.712 CV 1 ASSI { 3160} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 132 and name HB2 )) 5.200 3.400 0.800 peak 3160 spectrum 1 weight 0.11000E+01 volume 0.28777E-03 ppm1 5.184 ppm2 1.883 CV 1 OR { 3160} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 132 and name HG1 )) ASSI { 3161} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 133 and name HN )) 6.000 5.500 0.000 peak 3161 spectrum 1 weight 0.11000E+01 volume 0.68709E-04 ppm1 5.181 ppm2 9.186 CV 1 ASSI { 3162} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 99 and name HG12)) 5.800 4.200 0.200 peak 3162 spectrum 1 weight 0.11000E+01 volume 0.11177E-03 ppm1 5.184 ppm2 1.119 CV 1 ASSI { 3163} (( segid "A " and resid 133 and name HA )) (( segid "A " and resid 137 and name HG2 )) 6.000 6.000 0.000 peak 3163 spectrum 1 weight 0.11000E+01 volume 0.84171E-04 ppm1 5.264 ppm2 2.347 CV 1 ASSI { 3164} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 65 and name HA )) 5.800 4.200 0.200 peak 3164 spectrum 1 weight 0.11000E+01 volume 0.11635E-03 ppm1 5.288 ppm2 3.616 CV 1 ASSI { 3166} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 63 and name HN )) 1.700 0.400 0.500 peak 3166 spectrum 1 weight 0.11000E+01 volume 0.14443E-01 ppm1 4.830 ppm2 9.660 CV 1 ASSI { 3172} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 64 and name HB1 )) 5.400 3.600 0.600 peak 3172 spectrum 1 weight 0.11000E+01 volume 0.28267E-03 ppm1 4.972 ppm2 2.636 CV 1 ASSI { 3173} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 64 and name HB2 )) 5.500 3.800 0.500 peak 3173 spectrum 1 weight 0.11000E+01 volume 0.32912E-03 ppm1 4.972 ppm2 3.321 CV 1 ASSI { 3175} (( segid "A " and resid 26 and name HB )) (( segid "A " and resid 64 and name HA )) 5.500 3.800 0.500 peak 3175 spectrum 1 weight 0.11000E+01 volume 0.13960E-03 ppm1 3.848 ppm2 5.297 CV 1 ASSI { 3177} (( segid "A " and resid 64 and name HB2 )) (( segid "A " and resid 66 and name HN )) 5.200 3.400 0.800 peak 3177 spectrum 1 weight 0.11000E+01 volume 0.91930E-04 ppm1 3.349 ppm2 8.273 CV 1 ASSI { 3178} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 64 and name HA )) 6.000 6.000 0.000 peak 3178 spectrum 1 weight 0.11000E+01 volume 0.27739E-04 ppm1 1.088 ppm2 5.311 CV 1 ASSI { 3179} ( segid "A " and resid 28 and name HG2%) ( segid "A " and resid 27 and name HG2%) 5.900 5.900 0.100 peak 3179 spectrum 1 weight 0.11000E+01 volume 0.20918E-03 ppm1 1.277 ppm2 0.799 CV 1 ASSI { 3183} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 29 and name HB2 )) 6.000 6.000 0.000 peak 3183 spectrum 1 weight 0.11000E+01 volume 0.31360E-04 ppm1 1.274 ppm2 3.332 CV 1 ASSI { 3187} ( segid "A " and resid 26 and name HG2%) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 3187 spectrum 1 weight 0.11000E+01 volume 0.64054E-04 ppm1 1.181 ppm2 0.105 CV 1 ASSI { 3188} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 35 and name HA1 )) 4.500 2.600 1.500 peak 3188 spectrum 1 weight 0.11000E+01 volume 0.48257E-03 ppm1 0.733 ppm2 3.644 CV 1 ASSI { 3189} (( segid "A " and resid 19 and name HG11)) ( segid "A " and resid 27 and name HD1%) 4.100 2.100 1.900 peak 3189 spectrum 1 weight 0.11000E+01 volume 0.10244E-03 ppm1 0.730 ppm2 0.116 CV 1 ASSI { 3190} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 19 and name HG12)) 1.500 0.300 0.700 peak 3190 spectrum 1 weight 0.11000E+01 volume 0.10611E-01 ppm1 0.731 ppm2 1.879 CV 1 ASSI { 3191} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 35 and name HA2 )) 6.000 4.900 0.000 peak 3191 spectrum 1 weight 0.11000E+01 volume 0.11703E-03 ppm1 1.885 ppm2 3.898 CV 1 ASSI { 3192} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 18 and name HN )) 6.000 5.100 0.000 peak 3192 spectrum 1 weight 0.11000E+01 volume 0.49381E-04 ppm1 1.880 ppm2 7.735 CV 1 ASSI { 3194} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 36 and name HB1 )) 2.400 2.400 3.600 peak 3194 spectrum 1 weight 0.11000E+01 volume 0.90585E-02 ppm1 0.789 ppm2 1.480 CV 1 ASSI { 3195} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 36 and name HG )) 2.400 0.700 0.700 peak 3195 spectrum 1 weight 0.11000E+01 volume 0.88575E-02 ppm1 0.786 ppm2 1.854 CV 1 OR { 3195} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 36 and name HB2 )) ASSI { 3196} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 40 and name HN )) 4.900 3.000 1.100 peak 3196 spectrum 1 weight 0.11000E+01 volume 0.18715E-03 ppm1 1.054 ppm2 7.689 CV 1 ASSI { 3198} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 36 and name HB2 )) 4.800 2.900 1.200 peak 3198 spectrum 1 weight 0.11000E+01 volume 0.56808E-03 ppm1 1.047 ppm2 1.875 CV 1 OR { 3198} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 36 and name HG )) ASSI { 3201} ( segid "A " and resid 39 and name HG1%) (( segid "A " and resid 39 and name HN )) 3.000 3.000 3.000 peak 3201 spectrum 1 weight 0.11000E+01 volume 0.23624E-02 ppm1 0.958 ppm2 7.511 CV 1 ASSI { 3203} ( segid "A " and resid 69 and name HG2%) ( segid "A " and resid 70 and name HB% ) 6.000 6.000 0.000 peak 3203 spectrum 1 weight 0.11000E+01 volume 0.19262E-03 ppm1 0.720 ppm2 1.520 CV 1 ASSI { 3204} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 68 and name HB1 )) 6.000 6.000 0.000 peak 3204 spectrum 1 weight 0.11000E+01 volume 0.83327E-04 ppm1 0.738 ppm2 3.263 CV 1 ASSI { 3206} (( segid "A " and resid 57 and name HG11)) (( segid "A " and resid 67 and name HG2 )) 4.000 2.000 2.000 peak 3206 spectrum 1 weight 0.11000E+01 volume 0.10045E-02 ppm1 1.659 ppm2 2.414 CV 1 ASSI { 3210} (( segid "A " and resid 57 and name HG12)) (( segid "A " and resid 57 and name HG11)) 1.400 0.200 0.800 peak 3210 spectrum 1 weight 0.11000E+01 volume 0.21318E-01 ppm1 1.437 ppm2 1.654 CV 1 ASSI { 3215} (( segid "A " and resid 61 and name HA2 )) (( segid "A " and resid 60 and name HN )) 6.000 6.000 0.000 peak 3215 spectrum 1 weight 0.11000E+01 volume 0.26378E-04 ppm1 4.312 ppm2 8.821 CV 1 ASSI { 3219} (( segid "A " and resid 66 and name HA1 )) (( segid "A " and resid 65 and name HB2 )) 3.700 1.700 1.700 peak 3219 spectrum 1 weight 0.11000E+01 volume 0.56867E-04 ppm1 3.608 ppm2 2.555 CV 1 ASSI { 3220} (( segid "A " and resid 66 and name HA2 )) (( segid "A " and resid 67 and name HG1 )) 6.000 6.000 0.000 peak 3220 spectrum 1 weight 0.11000E+01 volume 0.12933E-03 ppm1 3.904 ppm2 2.959 CV 1 ASSI { 3224} (( segid "A " and resid 45 and name HG1 )) (( segid "A " and resid 48 and name HG11)) 6.000 5.700 0.000 peak 3224 spectrum 1 weight 0.11000E+01 volume 0.16590E-03 ppm1 2.419 ppm2 0.749 CV 1 ASSI { 3227} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 68 and name HN )) 6.000 5.700 0.000 peak 3227 spectrum 1 weight 0.11000E+01 volume 0.72139E-04 ppm1 1.824 ppm2 8.843 CV 1 ASSI { 3229} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 69 and name HA )) 6.000 5.200 0.000 peak 3229 spectrum 1 weight 0.11000E+01 volume 0.82456E-04 ppm1 1.516 ppm2 3.582 CV 1 ASSI { 3230} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 69 and name HN )) 5.600 5.600 0.400 peak 3230 spectrum 1 weight 0.11000E+01 volume 0.25862E-03 ppm1 1.519 ppm2 8.171 CV 1 ASSI { 3231} (( segid "A " and resid 72 and name HB )) (( segid "A " and resid 72 and name HA )) 2.800 1.000 1.000 peak 3231 spectrum 1 weight 0.11000E+01 volume 0.32058E-02 ppm1 4.062 ppm2 3.840 CV 1 ASSI { 3232} ( segid "A " and resid 73 and name HG1%) (( segid "A " and resid 77 and name HD2 )) 6.000 6.000 0.000 peak 3232 spectrum 1 weight 0.11000E+01 volume 0.11254E-03 ppm1 0.834 ppm2 1.700 CV 1 ASSI { 3236} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 73 and name HB )) 4.200 4.200 1.800 peak 3236 spectrum 1 weight 0.11000E+01 volume 0.24061E-02 ppm1 0.808 ppm2 1.949 CV 1 ASSI { 3237} ( segid "A " and resid 73 and name HG2%) (( segid "A " and resid 74 and name HB1 )) 6.000 6.000 0.000 peak 3237 spectrum 1 weight 0.11000E+01 volume 0.23016E-03 ppm1 0.720 ppm2 2.989 CV 1 ASSI { 3244} ( segid "A " and resid 104 and name HD1%) ( segid "A " and resid 99 and name HD1%) 6.000 6.000 0.000 peak 3244 spectrum 1 weight 0.11000E+01 volume 0.11199E-03 ppm1 0.597 ppm2 0.162 CV 1 OR { 3244} ( segid "A " and resid 104 and name HD1%) (( segid "A " and resid 99 and name HG11)) ASSI { 3247} (( segid "A " and resid 103 and name HA )) ( segid "A " and resid 107 and name HB% ) 5.100 3.200 0.900 peak 3247 spectrum 1 weight 0.11000E+01 volume 0.17498E-03 ppm1 4.038 ppm2 1.408 CV 1 ASSI { 3249} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 107 and name HN )) 3.200 1.300 1.300 peak 3249 spectrum 1 weight 0.11000E+01 volume 0.19796E-02 ppm1 4.043 ppm2 7.892 CV 1 ASSI { 3251} (( segid "A " and resid 91 and name HA )) ( segid "A " and resid 99 and name HD1%) 6.000 4.500 0.000 peak 3251 spectrum 1 weight 0.11000E+01 volume 0.15155E-03 ppm1 3.931 ppm2 0.166 CV 1 ASSI { 3252} (( segid "A " and resid 91 and name HB1 )) (( segid "A " and resid 99 and name HG12)) 5.800 4.300 0.200 peak 3252 spectrum 1 weight 0.11000E+01 volume 0.82537E-04 ppm1 2.588 ppm2 1.121 CV 1 ASSI { 3253} (( segid "A " and resid 91 and name HB1 )) (( segid "A " and resid 104 and name HG11)) 6.000 6.000 0.000 peak 3253 spectrum 1 weight 0.11000E+01 volume 0.52485E-04 ppm1 2.632 ppm2 0.666 CV 1 OR { 3253} (( segid "A " and resid 91 and name HB2 )) (( segid "A " and resid 104 and name HG11)) ASSI { 3254} (( segid "A " and resid 91 and name HB1 )) (( segid "A " and resid 92 and name HN )) 5.300 3.500 0.700 peak 3254 spectrum 1 weight 0.11000E+01 volume 0.98436E-04 ppm1 2.570 ppm2 7.887 CV 1 ASSI { 3255} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 93 and name HB2 )) 2.400 0.700 0.700 peak 3255 spectrum 1 weight 0.11000E+01 volume 0.50934E-02 ppm1 1.475 ppm2 1.806 CV 1 ASSI { 3256} (( segid "A " and resid 93 and name HG2 )) (( segid "A " and resid 93 and name HB2 )) 2.900 1.100 1.100 peak 3256 spectrum 1 weight 0.11000E+01 volume 0.34494E-02 ppm1 1.403 ppm2 1.818 CV 1 ASSI { 3257} (( segid "A " and resid 93 and name HG2 )) (( segid "A " and resid 93 and name HD2 )) 2.300 0.700 0.700 peak 3257 spectrum 1 weight 0.11000E+01 volume 0.69123E-02 ppm1 1.401 ppm2 1.638 CV 1 ASSI { 3258} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 93 and name HD2 )) 1.800 1.800 4.200 peak 3258 spectrum 1 weight 0.11000E+01 volume 0.56184E-01 ppm1 1.478 ppm2 1.599 CV 1 ASSI { 3261} (( segid "A " and resid 122 and name HG12)) ( segid "A " and resid 122 and name HD1%) 2.000 0.500 0.500 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.11685E-01 ppm1 1.659 ppm2 0.800 CV 1 OR { 3261} (( segid "A " and resid 122 and name HG12)) ( segid "A " and resid 122 and name HG2%) ASSI { 3262} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 106 and name HB2 )) 2.400 2.400 3.600 peak 3262 spectrum 1 weight 0.11000E+01 volume 0.80629E-03 ppm1 2.926 ppm2 2.138 CV 1 ASSI { 3264} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 93 and name HG2 )) 3.100 1.200 1.200 peak 3264 spectrum 1 weight 0.11000E+01 volume 0.44657E-02 ppm1 2.938 ppm2 1.426 CV 1 ASSI { 3265} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 93 and name HB2 )) 3.300 1.400 1.400 peak 3265 spectrum 1 weight 0.11000E+01 volume 0.57281E-03 ppm1 2.901 ppm2 1.822 CV 1 ASSI { 3266} (( segid "A " and resid 94 and name HB2 )) (( segid "A " and resid 93 and name HB2 )) 3.000 3.000 3.000 peak 3266 spectrum 1 weight 0.11000E+01 volume 0.18309E-03 ppm1 2.741 ppm2 1.827 CV 1 ASSI { 3267} (( segid "A " and resid 96 and name HB1 )) ( segid "A " and resid 98 and name HD% ) 6.000 6.000 0.000 peak 3267 spectrum 1 weight 0.11000E+01 volume 0.87384E-04 ppm1 4.276 ppm2 6.924 CV 1 ASSI { 3268} (( segid "A " and resid 101 and name HB2 )) ( segid "A " and resid 122 and name HD1%) 2.100 2.100 3.900 peak 3268 spectrum 1 weight 0.11000E+01 volume 0.66310E-02 ppm1 1.762 ppm2 0.783 CV 1 ASSI { 3270} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 102 and name HB2 )) 4.300 2.300 1.700 peak 3270 spectrum 1 weight 0.11000E+01 volume 0.11353E-02 ppm1 0.900 ppm2 2.683 CV 1 ASSI { 3271} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HG2 )) 5.000 3.200 1.000 peak 3271 spectrum 1 weight 0.11000E+01 volume 0.34828E-03 ppm1 0.900 ppm2 2.505 CV 1 ASSI { 3272} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 101 and name HB2 )) 2.000 0.500 0.500 peak 3272 spectrum 1 weight 0.11000E+01 volume 0.90714E-02 ppm1 0.900 ppm2 1.760 CV 1 ASSI { 3273} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 101 and name HG )) 2.300 0.700 0.700 peak 3273 spectrum 1 weight 0.11000E+01 volume 0.64996E-02 ppm1 0.905 ppm2 1.634 CV 1 ASSI { 3274} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 119 and name HA )) 6.000 6.000 0.000 peak 3274 spectrum 1 weight 0.11000E+01 volume 0.60025E-04 ppm1 0.901 ppm2 4.315 CV 1 ASSI { 3277} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 104 and name HN )) 6.000 6.000 0.000 peak 3277 spectrum 1 weight 0.11000E+01 volume 0.12367E-03 ppm1 0.892 ppm2 7.927 CV 1 ASSI { 3278} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HE22)) 6.000 6.000 0.000 peak 3278 spectrum 1 weight 0.11000E+01 volume 0.84634E-04 ppm1 0.895 ppm2 7.466 CV 1 ASSI { 3279} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HE21)) 6.000 6.000 0.000 peak 3279 spectrum 1 weight 0.11000E+01 volume 0.14660E-03 ppm1 0.895 ppm2 6.768 CV 1 ASSI { 3280} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HN )) 6.000 6.000 0.000 peak 3280 spectrum 1 weight 0.11000E+01 volume 0.53110E-04 ppm1 0.896 ppm2 8.440 CV 1 ASSI { 3283} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 37 and name HD2 )) 2.800 1.000 1.000 peak 3283 spectrum 1 weight 0.11000E+01 volume 0.25082E-02 ppm1 4.429 ppm2 1.738 CV 1 ASSI { 3284} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 104 and name HB )) 3.300 3.300 2.700 peak 3284 spectrum 1 weight 0.11000E+01 volume 0.32866E-02 ppm1 4.432 ppm2 1.954 CV 1 ASSI { 3287} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 105 and name HN )) 5.000 3.100 1.000 peak 3287 spectrum 1 weight 0.11000E+01 volume 0.12947E-03 ppm1 3.799 ppm2 8.424 CV 1 ASSI { 3288} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 103 and name HN )) 6.000 4.700 0.000 peak 3288 spectrum 1 weight 0.11000E+01 volume 0.15770E-03 ppm1 3.798 ppm2 7.516 CV 1 ASSI { 3298} (( segid "A " and resid 104 and name HG11)) (( segid "A " and resid 133 and name HG12)) 5.800 5.800 0.200 peak 3298 spectrum 1 weight 0.11000E+01 volume 0.18858E-03 ppm1 0.676 ppm2 1.444 CV 1 ASSI { 3301} (( segid "A " and resid 104 and name HG11)) (( segid "A " and resid 122 and name HA )) 5.900 4.400 0.100 peak 3301 spectrum 1 weight 0.11000E+01 volume 0.13450E-03 ppm1 0.682 ppm2 3.586 CV 1 ASSI { 3304} (( segid "A " and resid 105 and name HB2 )) (( segid "A " and resid 101 and name HG )) 4.800 2.900 1.200 peak 3304 spectrum 1 weight 0.11000E+01 volume 0.25812E-03 ppm1 2.137 ppm2 1.634 CV 1 ASSI { 3305} (( segid "A " and resid 105 and name HG2 )) ( segid "A " and resid 118 and name HG2%) 3.100 1.200 1.200 peak 3305 spectrum 1 weight 0.11000E+01 volume 0.23839E-02 ppm1 2.515 ppm2 0.945 CV 1 ASSI { 3306} (( segid "A " and resid 105 and name HG1 )) ( segid "A " and resid 118 and name HG2%) 3.500 1.600 1.600 peak 3306 spectrum 1 weight 0.11000E+01 volume 0.10195E-02 ppm1 2.298 ppm2 0.943 CV 1 ASSI { 3310} (( segid "A " and resid 107 and name HA )) (( segid "A " and resid 108 and name HN )) 5.800 4.100 0.200 peak 3310 spectrum 1 weight 0.11000E+01 volume 0.77720E-04 ppm1 4.235 ppm2 8.134 CV 1 ASSI { 3311} ( segid "A " and resid 107 and name HB% ) ( segid "A " and resid 104 and name HG2%) 4.500 2.500 1.500 peak 3311 spectrum 1 weight 0.11000E+01 volume 0.22790E-03 ppm1 1.426 ppm2 0.807 CV 1 ASSI { 3313} ( segid "A " and resid 107 and name HB% ) ( segid "A " and resid 111 and name HE% ) 5.500 5.500 0.500 peak 3313 spectrum 1 weight 0.11000E+01 volume 0.16360E-03 ppm1 1.441 ppm2 7.378 CV 1 ASSI { 3315} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 111 and name HB2 )) 6.000 5.400 0.000 peak 3315 spectrum 1 weight 0.11000E+01 volume 0.74290E-04 ppm1 5.331 ppm2 3.098 CV 1 ASSI { 3316} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 45 and name HG1 )) 6.000 5.800 0.000 peak 3316 spectrum 1 weight 0.11000E+01 volume 0.61795E-04 ppm1 1.550 ppm2 2.391 CV 1 OR { 3316} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 45 and name HG2 )) ASSI { 3318} (( segid "A " and resid 15 and name HA )) (( segid "A " and resid 16 and name HN )) 4.800 4.800 1.200 peak 3318 spectrum 1 weight 0.11000E+01 volume 0.13287E-03 ppm1 4.226 ppm2 8.363 CV 1 ASSI { 3320} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 121 and name HN )) 6.000 6.000 0.000 peak 3320 spectrum 1 weight 0.11000E+01 volume 0.69661E-04 ppm1 4.151 ppm2 7.928 CV 1 ASSI { 3321} (( segid "A " and resid 116 and name HG11)) (( segid "A " and resid 114 and name HB2 )) 5.700 4.000 0.300 peak 3321 spectrum 1 weight 0.11000E+01 volume 0.13919E-03 ppm1 1.181 ppm2 2.744 CV 1 ASSI { 3322} (( segid "A " and resid 119 and name HA )) (( segid "A " and resid 123 and name HN )) 6.000 4.900 0.000 peak 3322 spectrum 1 weight 0.11000E+01 volume 0.10668E-03 ppm1 4.300 ppm2 7.740 CV 1 ASSI { 3325} ( segid "A " and resid 140 and name HB% ) (( segid "A " and resid 137 and name HG1 )) 6.000 6.000 0.000 peak 3325 spectrum 1 weight 0.11000E+01 volume 0.97809E-04 ppm1 1.478 ppm2 2.953 CV 1 ASSI { 3326} (( segid "A " and resid 110 and name HB2 )) (( segid "A " and resid 110 and name HA )) 5.800 4.200 0.200 peak 3326 spectrum 1 weight 0.11000E+01 volume 0.95578E-04 ppm1 2.677 ppm2 4.623 CV 1 ASSI { 3328} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 76 and name HB2 )) 5.100 3.300 0.900 peak 3328 spectrum 1 weight 0.11000E+01 volume 0.16407E-03 ppm1 3.814 ppm2 2.802 CV 1 ASSI { 3332} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 75 and name HB1 )) 5.900 4.300 0.100 peak 3332 spectrum 1 weight 0.11000E+01 volume 0.15723E-03 ppm1 3.846 ppm2 1.586 CV 1 OR { 3332} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 75 and name HG )) ASSI { 3333} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 77 and name HG2 )) 5.000 3.100 1.000 peak 3333 spectrum 1 weight 0.11000E+01 volume 0.17823E-03 ppm1 3.844 ppm2 1.447 CV 1 ASSI { 3336} (( segid "A " and resid 44 and name HB1 )) (( segid "A " and resid 44 and name HG1 )) 3.300 1.300 1.300 peak 3336 spectrum 1 weight 0.11000E+01 volume 0.27464E-02 ppm1 2.384 ppm2 2.700 CV 1 ASSI { 3339} (( segid "A " and resid 44 and name HG2 )) (( segid "A " and resid 47 and name HN )) 6.000 5.200 0.000 peak 3339 spectrum 1 weight 0.11000E+01 volume 0.87629E-04 ppm1 2.840 ppm2 7.052 CV 1 ASSI { 3340} (( segid "A " and resid 44 and name HG1 )) (( segid "A " and resid 47 and name HN )) 5.400 3.600 0.600 peak 3340 spectrum 1 weight 0.11000E+01 volume 0.53682E-04 ppm1 2.701 ppm2 7.056 CV 1 ASSI { 3341} (( segid "A " and resid 44 and name HG1 )) (( segid "A " and resid 44 and name HB2 )) 2.600 0.800 0.800 peak 3341 spectrum 1 weight 0.11000E+01 volume 0.33942E-02 ppm1 2.705 ppm2 2.097 CV 1 ASSI { 3343} (( segid "A " and resid 44 and name HG1 )) (( segid "A " and resid 47 and name HG2 )) 3.800 1.800 1.800 peak 3343 spectrum 1 weight 0.11000E+01 volume 0.60934E-03 ppm1 2.709 ppm2 2.280 CV 1 ASSI { 3345} (( segid "A " and resid 44 and name HG2 )) (( segid "A " and resid 44 and name HG1 )) 1.400 0.300 0.800 peak 3345 spectrum 1 weight 0.11000E+01 volume 0.29942E-01 ppm1 2.836 ppm2 2.699 CV 1 ASSI { 3347} (( segid "A " and resid 96 and name HA )) (( segid "A " and resid 98 and name HN )) 6.000 6.000 0.000 peak 3347 spectrum 1 weight 0.11000E+01 volume 0.52240E-04 ppm1 4.258 ppm2 7.627 CV 1 ASSI { 3348} (( segid "A " and resid 96 and name HA )) (( segid "A " and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 3348 spectrum 1 weight 0.11000E+01 volume 0.46598E-02 ppm1 4.258 ppm2 4.062 CV 1 ASSI { 3349} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 21 and name HB )) 3.200 1.300 1.300 peak 3349 spectrum 1 weight 0.11000E+01 volume 0.13670E-02 ppm1 3.982 ppm2 4.322 CV 1 ASSI { 3351} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 48 and name HN )) 6.000 6.000 0.000 peak 3351 spectrum 1 weight 0.11000E+01 volume 0.10072E-03 ppm1 0.772 ppm2 8.162 CV 1 ASSI { 3352} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 44 and name HN )) 5.600 3.900 0.400 peak 3352 spectrum 1 weight 0.11000E+01 volume 0.22041E-03 ppm1 0.770 ppm2 9.261 CV 1 ASSI { 3354} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 47 and name HB2 )) 5.900 4.300 0.100 peak 3354 spectrum 1 weight 0.11000E+01 volume 0.16661E-03 ppm1 0.773 ppm2 2.532 CV 1 ASSI { 3355} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 47 and name HG2 )) 5.600 5.600 0.400 peak 3355 spectrum 1 weight 0.11000E+01 volume 0.18672E-03 ppm1 0.768 ppm2 2.303 CV 1 ASSI { 3356} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 47 and name HB1 )) 3.900 1.900 1.900 peak 3356 spectrum 1 weight 0.11000E+01 volume 0.94083E-03 ppm1 0.768 ppm2 2.080 CV 1 ASSI { 3357} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 48 and name HG12)) 3.200 1.300 1.300 peak 3357 spectrum 1 weight 0.11000E+01 volume 0.40925E-02 ppm1 0.772 ppm2 1.841 CV 1 ASSI { 3358} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 43 and name HG )) 2.400 0.700 0.700 peak 3358 spectrum 1 weight 0.11000E+01 volume 0.53362E-02 ppm1 0.767 ppm2 1.663 CV 1 ASSI { 3359} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 43 and name HB2 )) 3.100 1.200 1.200 peak 3359 spectrum 1 weight 0.11000E+01 volume 0.76865E-02 ppm1 0.769 ppm2 1.514 CV 1 ASSI { 3360} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 3360 spectrum 1 weight 0.11000E+01 volume 0.48319E-02 ppm1 0.769 ppm2 1.415 CV 1 ASSI { 3361} ( segid "A " and resid 43 and name HD2%) (( segid "A " and resid 33 and name HA )) 5.500 3.800 0.500 peak 3361 spectrum 1 weight 0.11000E+01 volume 0.10630E-03 ppm1 0.761 ppm2 3.763 CV 1 ASSI { 3362} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HA )) 5.900 5.900 0.100 peak 3362 spectrum 1 weight 0.11000E+01 volume 0.69281E-04 ppm1 0.761 ppm2 4.055 CV 1 ASSI { 3363} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 105 and name HB2 )) 3.800 3.800 2.200 peak 3363 spectrum 1 weight 0.11000E+01 volume 0.22703E-02 ppm1 0.879 ppm2 2.102 CV 1 ASSI { 3365} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 113 and name HB2 )) 3.000 3.000 3.000 peak 3365 spectrum 1 weight 0.11000E+01 volume 0.30054E-02 ppm1 0.871 ppm2 1.673 CV 1 ASSI { 3372} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 20 and name HA )) 4.700 2.700 1.300 peak 3372 spectrum 1 weight 0.11000E+01 volume 0.68628E-04 ppm1 2.390 ppm2 4.449 CV 1 ASSI { 3374} (( segid "A " and resid 92 and name HB2 )) (( segid "A " and resid 99 and name HG12)) 4.100 2.100 1.900 peak 3374 spectrum 1 weight 0.11000E+01 volume 0.18103E-03 ppm1 1.396 ppm2 1.119 CV 1 ASSI { 3377} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 70 and name HA )) 4.100 2.100 1.900 peak 3377 spectrum 1 weight 0.11000E+01 volume 0.57731E-03 ppm1 0.732 ppm2 4.189 CV 1 ASSI { 3382} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 69 and name HG11)) 3.400 1.400 1.400 peak 3382 spectrum 1 weight 0.11000E+01 volume 0.20008E-02 ppm1 0.722 ppm2 1.103 CV 1 ASSI { 3383} (( segid "A " and resid 69 and name HG12)) (( segid "A " and resid 70 and name HN )) 5.700 4.000 0.300 peak 3383 spectrum 1 weight 0.11000E+01 volume 0.17100E-03 ppm1 1.173 ppm2 7.405 CV 1 ASSI { 3384} (( segid "A " and resid 69 and name HG11)) ( segid "A " and resid 65 and name HE% ) 5.700 4.100 0.300 peak 3384 spectrum 1 weight 0.11000E+01 volume 0.79625E-04 ppm1 1.090 ppm2 6.565 CV 1 ASSI { 3385} (( segid "A " and resid 69 and name HG12)) ( segid "A " and resid 65 and name HE% ) 6.000 6.000 0.000 peak 3385 spectrum 1 weight 0.11000E+01 volume 0.14128E-04 ppm1 1.179 ppm2 6.551 CV 1 ASSI { 3386} (( segid "A " and resid 69 and name HG12)) (( segid "A " and resid 69 and name HB )) 3.100 1.200 1.200 peak 3386 spectrum 1 weight 0.11000E+01 volume 0.15561E-02 ppm1 1.168 ppm2 1.822 CV 1 ASSI { 3388} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 117 and name HB1 )) 3.800 1.800 1.800 peak 3388 spectrum 1 weight 0.11000E+01 volume 0.92667E-03 ppm1 0.837 ppm2 2.697 CV 1 ASSI { 3389} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 105 and name HG2 )) 4.600 4.600 1.400 peak 3389 spectrum 1 weight 0.11000E+01 volume 0.63336E-03 ppm1 0.832 ppm2 2.515 CV 1 ASSI { 3390} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 121 and name HB2 )) 3.800 1.800 1.800 peak 3390 spectrum 1 weight 0.11000E+01 volume 0.15668E-02 ppm1 0.833 ppm2 2.273 CV 1 ASSI { 3391} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 121 and name HB1 )) 6.000 4.800 0.000 peak 3391 spectrum 1 weight 0.11000E+01 volume 0.10328E-03 ppm1 0.829 ppm2 2.112 CV 1 ASSI { 3393} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 118 and name HG11)) 2.200 0.600 0.600 peak 3393 spectrum 1 weight 0.11000E+01 volume 0.88405E-02 ppm1 0.832 ppm2 1.704 CV 1 ASSI { 3394} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 113 and name HB1 )) 2.600 2.600 3.400 peak 3394 spectrum 1 weight 0.11000E+01 volume 0.44162E-03 ppm1 0.833 ppm2 1.536 CV 1 ASSI { 3396} ( segid "A " and resid 118 and name HD1%) (( segid "A " and resid 119 and name HN )) 5.300 3.500 0.700 peak 3396 spectrum 1 weight 0.11000E+01 volume 0.43441E-03 ppm1 0.838 ppm2 8.426 CV 1 ASSI { 3397} ( segid "A " and resid 116 and name HD1%) (( segid "A " and resid 116 and name HN )) 5.000 3.200 1.000 peak 3397 spectrum 1 weight 0.11000E+01 volume 0.45545E-03 ppm1 0.838 ppm2 7.898 CV 1 ASSI { 3398} ( segid "A " and resid 116 and name HD1%) (( segid "A " and resid 116 and name HB )) 3.100 1.200 1.200 peak 3398 spectrum 1 weight 0.11000E+01 volume 0.47263E-02 ppm1 0.861 ppm2 1.902 CV 1 ASSI { 3405} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 15 and name HG )) 3.700 3.700 2.300 peak 3405 spectrum 1 weight 0.11000E+01 volume 0.15266E-02 ppm1 0.674 ppm2 1.745 CV 1 ASSI { 3407} ( segid "A " and resid 116 and name HG2%) (( segid "A " and resid 117 and name HD2 )) 5.500 5.500 0.500 peak 3407 spectrum 1 weight 0.11000E+01 volume 0.22665E-03 ppm1 0.801 ppm2 6.215 CV 1 ASSI { 3408} ( segid "A " and resid 116 and name HG2%) (( segid "A " and resid 116 and name HG12)) 3.900 1.900 1.900 peak 3408 spectrum 1 weight 0.11000E+01 volume 0.11793E-02 ppm1 0.811 ppm2 1.413 CV 1 ASSI { 3409} ( segid "A " and resid 116 and name HG2%) (( segid "A " and resid 116 and name HG11)) 3.400 1.500 1.500 peak 3409 spectrum 1 weight 0.11000E+01 volume 0.24875E-02 ppm1 0.818 ppm2 1.181 CV 1 ASSI { 3414} ( segid "A " and resid 118 and name HG2%) ( segid "A " and resid 104 and name HD1%) 4.100 4.100 1.900 peak 3414 spectrum 1 weight 0.11000E+01 volume 0.23759E-02 ppm1 0.960 ppm2 0.591 CV 1 ASSI { 3415} ( segid "A " and resid 118 and name HG2%) (( segid "A " and resid 119 and name HN )) 3.600 1.600 1.600 peak 3415 spectrum 1 weight 0.11000E+01 volume 0.96326E-03 ppm1 0.970 ppm2 8.432 CV 1 ASSI { 3416} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 39 and name HN )) 3.200 1.200 1.200 peak 3416 spectrum 1 weight 0.11000E+01 volume 0.15214E-02 ppm1 4.426 ppm2 7.512 CV 1 ASSI { 3417} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 40 and name HN )) 5.400 3.600 0.600 peak 3417 spectrum 1 weight 0.11000E+01 volume 0.10192E-03 ppm1 4.430 ppm2 7.706 CV 1 ASSI { 3418} ( segid "A " and resid 39 and name HG2%) ( segid "A " and resid 39 and name HG1%) 3.200 3.200 2.800 peak 3418 spectrum 1 weight 0.11000E+01 volume 0.23489E-02 ppm1 1.049 ppm2 0.779 CV 1 ASSI { 3419} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 3419 spectrum 1 weight 0.11000E+01 volume 0.19949E-02 ppm1 2.517 ppm2 1.399 CV 1 ASSI { 3420} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 43 and name HB2 )) 3.800 1.800 1.800 peak 3420 spectrum 1 weight 0.11000E+01 volume 0.17118E-02 ppm1 2.517 ppm2 1.511 CV 1 ASSI { 3422} (( segid "A " and resid 47 and name HB1 )) (( segid "A " and resid 43 and name HB1 )) 2.900 1.100 1.100 peak 3422 spectrum 1 weight 0.11000E+01 volume 0.12091E-02 ppm1 2.088 ppm2 1.417 CV 1 ASSI { 3424} (( segid "A " and resid 67 and name HB1 )) ( segid "A " and resid 63 and name HD1%) 5.600 3.900 0.400 peak 3424 spectrum 1 weight 0.11000E+01 volume 0.19869E-03 ppm1 2.285 ppm2 0.940 CV 1 ASSI { 3432} ( segid "A " and resid 71 and name HB% ) ( segid "A " and resid 72 and name HG2%) 3.000 3.000 3.000 peak 3432 spectrum 1 weight 0.11000E+01 volume 0.43428E-02 ppm1 1.427 ppm2 0.824 CV 1 ASSI { 3435} (( segid "A " and resid 71 and name HA )) (( segid "A " and resid 70 and name HN )) 6.000 4.900 0.000 peak 3435 spectrum 1 weight 0.11000E+01 volume 0.14058E-03 ppm1 4.386 ppm2 7.374 CV 1 ASSI { 3436} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 70 and name HA )) 3.600 1.600 1.600 peak 3436 spectrum 1 weight 0.11000E+01 volume 0.62734E-03 ppm1 1.930 ppm2 4.188 CV 1 ASSI { 3438} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 70 and name HN )) 3.100 3.100 2.900 peak 3438 spectrum 1 weight 0.11000E+01 volume 0.16553E-03 ppm1 1.929 ppm2 7.388 CV 1 ASSI { 3439} (( segid "A " and resid 85 and name HB )) (( segid "A " and resid 85 and name HN )) 4.500 4.500 1.500 peak 3439 spectrum 1 weight 0.11000E+01 volume 0.18340E-03 ppm1 2.141 ppm2 8.065 CV 1 ASSI { 3440} (( segid "A " and resid 141 and name HG2 )) (( segid "A " and resid 141 and name HN )) 4.400 2.400 1.600 peak 3440 spectrum 1 weight 0.11000E+01 volume 0.33680E-03 ppm1 2.341 ppm2 7.503 CV 1 ASSI { 3442} (( segid "A " and resid 85 and name HB )) (( segid "A " and resid 89 and name HN )) 5.800 5.800 0.200 peak 3442 spectrum 1 weight 0.11000E+01 volume 0.12669E-03 ppm1 2.190 ppm2 8.342 CV 1 ASSI { 3443} (( segid "A " and resid 141 and name HG2 )) (( segid "A " and resid 140 and name HN )) 6.000 5.300 0.000 peak 3443 spectrum 1 weight 0.11000E+01 volume 0.10295E-03 ppm1 2.344 ppm2 7.729 CV 1 ASSI { 3447} (( segid "A " and resid 121 and name HG2 )) (( segid "A " and resid 124 and name HA )) 6.000 6.000 0.000 peak 3447 spectrum 1 weight 0.11000E+01 volume 0.19437E-03 ppm1 2.412 ppm2 4.172 CV 1 ASSI { 3450} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 74 and name HB1 )) 6.000 6.000 0.000 peak 3450 spectrum 1 weight 0.11000E+01 volume 0.27413E-03 ppm1 1.977 ppm2 3.023 CV 1 ASSI { 3454} (( segid "A " and resid 153 and name HB1 )) (( segid "A " and resid 134 and name HB1 )) 2.700 2.700 3.300 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.38873E-03 ppm1 1.732 ppm2 3.013 CV 1 ASSI { 3460} (( segid "A " and resid 67 and name HB1 )) (( segid "A " and resid 67 and name HG2 )) 2.300 0.700 0.700 peak 3460 spectrum 1 weight 0.11000E+01 volume 0.30023E-02 ppm1 2.270 ppm2 2.411 CV 1 ASSI { 3461} (( segid "A " and resid 47 and name HB1 )) (( segid "A " and resid 47 and name HB2 )) 1.500 0.300 0.700 peak 3461 spectrum 1 weight 0.11000E+01 volume 0.14015E-01 ppm1 2.089 ppm2 2.520 CV 1 ASSI { 3466} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 75 and name HN )) 6.000 5.000 0.000 peak 3466 spectrum 1 weight 0.11000E+01 volume 0.91140E-04 ppm1 3.135 ppm2 7.564 CV 1 ASSI { 3467} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HD2 )) 5.100 3.200 0.900 peak 3467 spectrum 1 weight 0.11000E+01 volume 0.22037E-03 ppm1 3.151 ppm2 6.937 CV 1 ASSI { 3469} (( segid "A " and resid 76 and name HB2 )) (( segid "A " and resid 76 and name HB1 )) 1.700 0.400 0.500 peak 3469 spectrum 1 weight 0.11000E+01 volume 0.11029E-01 ppm1 2.850 ppm2 2.692 CV 1 ASSI { 3472} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 38 and name HD2 )) 5.400 3.600 0.600 peak 3472 spectrum 1 weight 0.11000E+01 volume 0.21935E-03 ppm1 2.032 ppm2 3.256 CV 1 ASSI { 3473} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 35 and name HA1 )) 6.000 6.000 0.000 peak 3473 spectrum 1 weight 0.11000E+01 volume 0.63536E-04 ppm1 2.038 ppm2 3.647 CV 1 ASSI { 3474} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 19 and name HA )) 5.900 5.900 0.100 peak 3474 spectrum 1 weight 0.11000E+01 volume 0.86349E-04 ppm1 2.034 ppm2 3.783 CV 1 ASSI { 3475} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 35 and name HA2 )) 5.700 5.700 0.300 peak 3475 spectrum 1 weight 0.11000E+01 volume 0.92990E-04 ppm1 2.034 ppm2 3.889 CV 1 ASSI { 3477} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 121 and name HG1 )) 3.900 1.900 1.900 peak 3477 spectrum 1 weight 0.11000E+01 volume 0.79625E-03 ppm1 1.941 ppm2 2.637 CV 1 ASSI { 3478} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 113 and name HB1 )) 2.600 2.600 3.400 peak 3478 spectrum 1 weight 0.11000E+01 volume 0.46272E-03 ppm1 1.937 ppm2 1.561 CV 1 ASSI { 3479} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 133 and name HG12)) 6.000 6.000 0.000 peak 3479 spectrum 1 weight 0.11000E+01 volume 0.11510E-03 ppm1 1.939 ppm2 1.384 CV 1 ASSI { 3481} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 121 and name HG2 )) 4.000 2.000 2.000 peak 3481 spectrum 1 weight 0.11000E+01 volume 0.27796E-03 ppm1 1.942 ppm2 2.444 CV 1 ASSI { 3482} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 111 and name HB1 )) 3.100 3.100 2.900 peak 3482 spectrum 1 weight 0.11000E+01 volume 0.17335E-03 ppm1 1.938 ppm2 3.283 CV 1 ASSI { 3486} (( segid "A " and resid 52 and name HB2 )) (( segid "A " and resid 59 and name HD2 )) 6.000 4.900 0.000 peak 3486 spectrum 1 weight 0.11000E+01 volume 0.12138E-03 ppm1 2.487 ppm2 1.670 CV 1 ASSI { 3487} ( segid "A " and resid 39 and name HG2%) (( segid "A " and resid 38 and name HD2 )) 3.200 3.200 2.800 peak 3487 spectrum 1 weight 0.11000E+01 volume 0.14196E-03 ppm1 1.046 ppm2 3.284 CV 1 ASSI { 3498} (( segid "A " and resid 111 and name HA )) ( segid "A " and resid 111 and name HD% ) 4.600 2.700 1.400 peak 3498 spectrum 1 weight 0.11000E+01 volume 0.44864E-03 ppm1 4.472 ppm2 7.271 CV 1 ASSI { 3499} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 91 and name HN )) 5.400 3.600 0.600 peak 3499 spectrum 1 weight 0.11000E+01 volume 0.97483E-04 ppm1 4.007 ppm2 7.061 CV 1 ASSI { 3501} (( segid "A " and resid 90 and name HB2 )) (( segid "A " and resid 87 and name HA )) 5.800 4.200 0.200 peak 3501 spectrum 1 weight 0.11000E+01 volume 0.91548E-04 ppm1 3.094 ppm2 4.314 CV 1 ASSI { 3505} (( segid "A " and resid 92 and name HB1 )) (( segid "A " and resid 91 and name HB1 )) 6.000 6.000 0.000 peak 3505 spectrum 1 weight 0.11000E+01 volume 0.24772E-04 ppm1 2.343 ppm2 2.596 CV 1 ASSI { 3508} (( segid "A " and resid 93 and name HE2 )) (( segid "A " and resid 93 and name HA )) 6.000 4.500 0.000 peak 3508 spectrum 1 weight 0.11000E+01 volume 0.17961E-03 ppm1 2.937 ppm2 3.931 CV 1 ASSI { 3509} (( segid "A " and resid 36 and name HG )) (( segid "A " and resid 37 and name HN )) 6.000 4.700 0.000 peak 3509 spectrum 1 weight 0.11000E+01 volume 0.10715E-03 ppm1 1.876 ppm2 7.488 CV 1 ASSI { 3510} (( segid "A " and resid 32 and name HG )) (( segid "A " and resid 52 and name HG1 )) 5.700 4.100 0.300 peak 3510 spectrum 1 weight 0.11000E+01 volume 0.86594E-04 ppm1 1.496 ppm2 2.821 CV 1 ASSI { 3512} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 3512 spectrum 1 weight 0.11000E+01 volume 0.28038E-04 ppm1 0.168 ppm2 2.349 CV 1 ASSI { 3515} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 103 and name HA )) 6.000 6.000 0.000 peak 3515 spectrum 1 weight 0.11000E+01 volume 0.26433E-04 ppm1 0.174 ppm2 4.020 CV 1 ASSI { 3516} ( segid "A " and resid 99 and name HD1%) (( segid "A " and resid 104 and name HA )) 6.000 5.900 0.000 peak 3516 spectrum 1 weight 0.11000E+01 volume 0.43773E-04 ppm1 0.180 ppm2 3.825 CV 1 ASSI { 3517} ( segid "A " and resid 48 and name HG2%) ( segid "A " and resid 29 and name HD% ) 4.600 4.600 1.400 peak 3517 spectrum 1 weight 0.11000E+01 volume 0.96802E-04 ppm1 0.776 ppm2 7.334 CV 1 ASSI { 3518} ( segid "A " and resid 48 and name HG2%) (( segid "A " and resid 29 and name HA )) 4.300 2.300 1.700 peak 3518 spectrum 1 weight 0.11000E+01 volume 0.15897E-03 ppm1 0.782 ppm2 4.367 CV 1 ASSI { 3521} (( segid "A " and resid 46 and name HB2 )) (( segid "A " and resid 46 and name HA )) 2.600 0.900 0.900 peak 3521 spectrum 1 weight 0.11000E+01 volume 0.57291E-02 ppm1 3.920 ppm2 4.133 CV 1 ASSI { 3522} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 141 and name HN )) 4.400 2.400 1.600 peak 3522 spectrum 1 weight 0.11000E+01 volume 0.21342E-03 ppm1 3.938 ppm2 7.502 CV 1 ASSI { 3523} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 140 and name HN )) 5.200 3.400 0.800 peak 3523 spectrum 1 weight 0.11000E+01 volume 0.12068E-03 ppm1 3.919 ppm2 7.689 CV 1 ASSI { 3524} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 139 and name HN )) 4.700 2.700 1.300 peak 3524 spectrum 1 weight 0.11000E+01 volume 0.12990E-03 ppm1 3.927 ppm2 8.986 CV 1 ASSI { 3525} (( segid "A " and resid 138 and name HB1 )) (( segid "A " and resid 133 and name HB )) 6.000 6.000 0.000 peak 3525 spectrum 1 weight 0.11000E+01 volume 0.74290E-04 ppm1 3.183 ppm2 2.106 CV 1 ASSI { 3526} (( segid "A " and resid 138 and name HB1 )) ( segid "A " and resid 99 and name HD1%) 5.100 3.300 0.900 peak 3526 spectrum 1 weight 0.11000E+01 volume 0.18508E-03 ppm1 3.163 ppm2 0.177 CV 1 ASSI { 3527} (( segid "A " and resid 138 and name HB2 )) ( segid "A " and resid 99 and name HD1%) 5.200 3.400 0.800 peak 3527 spectrum 1 weight 0.11000E+01 volume 0.31251E-04 ppm1 3.332 ppm2 0.182 CV 1 ASSI { 3528} (( segid "A " and resid 138 and name HB1 )) (( segid "A " and resid 137 and name HB2 )) 6.000 5.900 0.000 peak 3528 spectrum 1 weight 0.11000E+01 volume 0.10962E-03 ppm1 3.191 ppm2 2.585 CV 1 ASSI { 3529} (( segid "A " and resid 138 and name HB1 )) (( segid "A " and resid 135 and name HA )) 3.300 1.400 1.400 peak 3529 spectrum 1 weight 0.11000E+01 volume 0.49261E-03 ppm1 3.189 ppm2 3.496 CV 1 ASSI { 3531} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 103 and name HB1 )) 6.000 5.900 0.000 peak 3531 spectrum 1 weight 0.11000E+01 volume 0.44072E-04 ppm1 3.790 ppm2 2.506 CV 1 ASSI { 3532} (( segid "A " and resid 104 and name HB )) (( segid "A " and resid 103 and name HB1 )) 6.000 6.000 0.000 peak 3532 spectrum 1 weight 0.11000E+01 volume 0.88418E-04 ppm1 1.969 ppm2 2.524 CV 1 ASSI { 3535} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 116 and name HN )) 4.900 3.000 1.100 peak 3535 spectrum 1 weight 0.11000E+01 volume 0.21884E-03 ppm1 1.901 ppm2 7.900 CV 1 ASSI { 3536} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 115 and name HA )) 5.600 3.900 0.400 peak 3536 spectrum 1 weight 0.11000E+01 volume 0.67566E-04 ppm1 1.912 ppm2 4.349 CV 1 ASSI { 3538} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 105 and name HG1 )) 6.000 6.000 0.000 peak 3538 spectrum 1 weight 0.11000E+01 volume 0.66640E-04 ppm1 1.916 ppm2 2.323 CV 1 ASSI { 3540} (( segid "A " and resid 118 and name HB )) (( segid "A " and resid 118 and name HG12)) 2.900 1.000 1.000 peak 3540 spectrum 1 weight 0.11000E+01 volume 0.12172E-02 ppm1 1.918 ppm2 1.077 CV 1 ASSI { 3541} (( segid "A " and resid 122 and name HG12)) (( segid "A " and resid 121 and name HN )) 5.000 3.100 1.000 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.38229E-03 ppm1 1.663 ppm2 7.917 CV 1 ASSI { 3544} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 122 and name HA )) 6.000 5.000 0.000 peak 3544 spectrum 1 weight 0.11000E+01 volume 0.22431E-04 ppm1 0.824 ppm2 3.533 CV 1 ASSI { 3545} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 105 and name HG1 )) 6.000 4.800 0.000 peak 3545 spectrum 1 weight 0.11000E+01 volume 0.10020E-03 ppm1 0.835 ppm2 2.274 CV 1 ASSI { 3548} (( segid "A " and resid 114 and name HB2 )) (( segid "A " and resid 114 and name HN )) 5.500 3.800 0.500 peak 3548 spectrum 1 weight 0.11000E+01 volume 0.67702E-04 ppm1 2.724 ppm2 8.649 CV 1 ASSI { 3549} (( segid "A " and resid 114 and name HB2 )) (( segid "A " and resid 115 and name HN )) 5.400 3.600 0.600 peak 3549 spectrum 1 weight 0.11000E+01 volume 0.93318E-04 ppm1 2.724 ppm2 8.416 CV 1 ASSI { 3550} (( segid "A " and resid 114 and name HB2 )) (( segid "A " and resid 116 and name HN )) 4.800 2.900 1.200 peak 3550 spectrum 1 weight 0.11000E+01 volume 0.19458E-03 ppm1 2.732 ppm2 7.871 CV 1 ASSI { 3554} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 37 and name HD2 )) 4.900 3.000 1.100 peak 3554 spectrum 1 weight 0.11000E+01 volume 0.44383E-03 ppm1 2.803 ppm2 1.744 CV 1 ASSI { 3560} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 93 and name HA )) 2.900 1.000 1.000 peak 3560 spectrum 1 weight 0.11000E+01 volume 0.14239E-02 ppm1 1.481 ppm2 3.949 CV 1 ASSI { 3563} (( segid "A " and resid 111 and name HB2 )) (( segid "A " and resid 110 and name HN )) 6.000 6.000 0.000 peak 3563 spectrum 1 weight 0.11000E+01 volume 0.46986E-04 ppm1 3.118 ppm2 8.805 CV 1 ASSI { 3564} (( segid "A " and resid 58 and name HB1 )) (( segid "A " and resid 57 and name HB )) 6.000 4.900 0.000 peak 3564 spectrum 1 weight 0.11000E+01 volume 0.10723E-03 ppm1 2.695 ppm2 2.051 CV 1 ASSI { 3565} (( segid "A " and resid 58 and name HB1 )) (( segid "A " and resid 67 and name HG2 )) 4.900 3.000 1.100 peak 3565 spectrum 1 weight 0.11000E+01 volume 0.19262E-03 ppm1 2.690 ppm2 2.375 CV 1 ASSI { 3570} (( segid "A " and resid 116 and name HA )) (( segid "A " and resid 115 and name HN )) 6.000 6.000 0.000 peak 3570 spectrum 1 weight 0.11000E+01 volume 0.87629E-04 ppm1 4.050 ppm2 8.423 CV 1 ASSI { 3573} (( segid "A " and resid 116 and name HB )) (( segid "A " and resid 116 and name HG12)) 2.900 1.000 1.000 peak 3573 spectrum 1 weight 0.11000E+01 volume 0.26516E-02 ppm1 1.885 ppm2 1.398 CV 1 ASSI { 3574} (( segid "A " and resid 116 and name HG12)) (( segid "A " and resid 116 and name HN )) 3.500 1.500 1.500 peak 3574 spectrum 1 weight 0.11000E+01 volume 0.95790E-03 ppm1 1.411 ppm2 7.867 CV 1 ASSI { 3576} (( segid "A " and resid 116 and name HG11)) (( segid "A " and resid 116 and name HA )) 3.600 1.600 1.600 peak 3576 spectrum 1 weight 0.11000E+01 volume 0.20490E-02 ppm1 1.173 ppm2 4.050 CV 1 ASSI { 3578} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 113 and name HN )) 3.400 1.400 1.400 peak 3578 spectrum 1 weight 0.11000E+01 volume 0.67097E-03 ppm1 4.460 ppm2 7.943 CV 1 ASSI { 3579} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 114 and name HB2 )) 4.700 2.700 1.300 peak 3579 spectrum 1 weight 0.11000E+01 volume 0.55904E-03 ppm1 4.468 ppm2 2.741 CV 1 ASSI { 3583} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 113 and name HN )) 5.900 4.300 0.100 peak 3583 spectrum 1 weight 0.11000E+01 volume 0.13323E-03 ppm1 0.803 ppm2 7.941 CV 1 ASSI { 3585} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 113 and name HB1 )) 2.700 0.900 0.900 peak 3585 spectrum 1 weight 0.11000E+01 volume 0.86034E-02 ppm1 0.799 ppm2 1.537 CV 1 ASSI { 3586} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 118 and name HB )) 4.200 2.300 1.800 peak 3586 spectrum 1 weight 0.11000E+01 volume 0.97806E-03 ppm1 0.813 ppm2 1.941 CV 1 ASSI { 3587} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 111 and name HB1 )) 4.400 4.400 1.600 peak 3587 spectrum 1 weight 0.11000E+01 volume 0.13867E-02 ppm1 0.823 ppm2 3.297 CV 1 ASSI { 3588} ( segid "A " and resid 113 and name HD1%) (( segid "A " and resid 113 and name HA )) 5.600 3.900 0.400 peak 3588 spectrum 1 weight 0.11000E+01 volume 0.17692E-03 ppm1 0.822 ppm2 4.449 CV 1 ASSI { 3589} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 36 and name HN )) 3.900 1.900 1.900 peak 3589 spectrum 1 weight 0.11000E+01 volume 0.64378E-03 ppm1 0.794 ppm2 8.384 CV 1 ASSI { 3590} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 37 and name HE2 )) 5.900 5.900 0.100 peak 3590 spectrum 1 weight 0.11000E+01 volume 0.97346E-04 ppm1 0.792 ppm2 2.988 CV 1 ASSI { 3591} (( segid "A " and resid 141 and name HG1 )) (( segid "A " and resid 141 and name HN )) 3.900 1.900 1.900 peak 3591 spectrum 1 weight 0.11000E+01 volume 0.51918E-03 ppm1 2.426 ppm2 7.474 CV 1 ASSI { 3593} (( segid "A " and resid 141 and name HG2 )) ( segid "A " and resid 141 and name HE% ) 3.300 1.400 1.400 peak 3593 spectrum 1 weight 0.11000E+01 volume 0.11084E-02 ppm1 2.337 ppm2 1.652 CV 1 ASSI { 3595} (( segid "A " and resid 141 and name HG1 )) ( segid "A " and resid 125 and name HD1%) 4.300 2.400 1.700 peak 3595 spectrum 1 weight 0.11000E+01 volume 0.17334E-02 ppm1 2.425 ppm2 0.767 CV 1 ASSI { 3596} (( segid "A " and resid 141 and name HG1 )) ( segid "A " and resid 133 and name HG2%) 6.000 6.000 0.000 peak 3596 spectrum 1 weight 0.11000E+01 volume 0.71322E-04 ppm1 2.402 ppm2 1.200 CV 1 ASSI { 3597} (( segid "A " and resid 141 and name HG2 )) ( segid "A " and resid 133 and name HG2%) 5.700 4.100 0.300 peak 3597 spectrum 1 weight 0.11000E+01 volume 0.71431E-04 ppm1 2.335 ppm2 1.195 CV 1 ASSI { 3599} (( segid "A " and resid 141 and name HG1 )) ( segid "A " and resid 138 and name HE% ) 6.000 4.800 0.000 peak 3599 spectrum 1 weight 0.11000E+01 volume 0.94543E-04 ppm1 2.440 ppm2 7.031 CV 1 ASSI { 3601} (( segid "A " and resid 141 and name HA )) ( segid "A " and resid 141 and name HE% ) 6.000 5.100 0.000 peak 3601 spectrum 1 weight 0.11000E+01 volume 0.18147E-03 ppm1 4.047 ppm2 1.669 CV 1 ASSI { 3603} (( segid "A " and resid 141 and name HA )) ( segid "A " and resid 140 and name HB% ) 4.000 2.000 2.000 peak 3603 spectrum 1 weight 0.11000E+01 volume 0.73236E-03 ppm1 4.047 ppm2 1.481 CV 1 ASSI { 3604} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HG2 )) 3.200 1.300 1.300 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 2.059 ppm2 1.649 CV 1 ASSI { 3605} (( segid "A " and resid 38 and name HB1 )) (( segid "A " and resid 38 and name HG2 )) 2.900 1.100 1.100 peak 3605 spectrum 1 weight 0.11000E+01 volume 0.14459E-02 ppm1 1.999 ppm2 1.656 CV 1 ASSI { 3606} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 35 and name HA2 )) 3.700 1.700 1.700 peak 3606 spectrum 1 weight 0.11000E+01 volume 0.67026E-03 ppm1 2.055 ppm2 3.889 CV 1 ASSI { 3608} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 141 and name HN )) 3.700 3.700 2.300 peak 3608 spectrum 1 weight 0.11000E+01 volume 0.58501E-04 ppm1 1.651 ppm2 7.493 CV 1 ASSI { 3610} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 125 and name HG12)) 3.100 3.100 2.900 peak 3610 spectrum 1 weight 0.11000E+01 volume 0.10866E-02 ppm1 1.664 ppm2 1.168 CV 1 ASSI { 3611} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 141 and name HG1 )) 3.400 1.400 1.400 peak 3611 spectrum 1 weight 0.11000E+01 volume 0.16561E-02 ppm1 1.653 ppm2 2.428 CV 1 ASSI { 3615} ( segid "A " and resid 141 and name HE% ) ( segid "A " and resid 138 and name HD% ) 4.300 4.300 1.700 peak 3615 spectrum 1 weight 0.11000E+01 volume 0.26058E-03 ppm1 1.647 ppm2 6.953 CV 1 ASSI { 3617} ( segid "A " and resid 141 and name HE% ) ( segid "A " and resid 99 and name HD1%) 3.300 3.300 2.700 peak 3617 spectrum 1 weight 0.11000E+01 volume 0.10140E-03 ppm1 1.657 ppm2 0.191 CV 1 ASSI { 3618} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 33 and name HN )) 6.000 6.000 0.000 peak 3618 spectrum 1 weight 0.11000E+01 volume 0.46877E-04 ppm1 1.547 ppm2 8.408 CV 1 ASSI { 3619} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 33 and name HN )) 6.000 6.000 0.000 peak 3619 spectrum 1 weight 0.11000E+01 volume 0.45761E-04 ppm1 1.460 ppm2 8.385 CV 1 ASSI { 3620} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 33 and name HA )) 6.000 6.000 0.000 peak 3620 spectrum 1 weight 0.11000E+01 volume 0.12677E-03 ppm1 1.551 ppm2 3.787 CV 1 ASSI { 3621} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 33 and name HA )) 6.000 6.000 0.000 peak 3621 spectrum 1 weight 0.11000E+01 volume 0.11001E-03 ppm1 1.474 ppm2 3.800 CV 1 ASSI { 3622} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 33 and name HE1 )) 2.500 0.800 0.800 peak 3622 spectrum 1 weight 0.11000E+01 volume 0.20458E-02 ppm1 1.550 ppm2 2.651 CV 1 ASSI { 3623} (( segid "A " and resid 33 and name HD2 )) (( segid "A " and resid 33 and name HE2 )) 2.900 1.000 1.000 peak 3623 spectrum 1 weight 0.11000E+01 volume 0.29383E-02 ppm1 1.552 ppm2 2.838 CV 1 ASSI { 3624} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 33 and name HE2 )) 2.400 0.700 0.700 peak 3624 spectrum 1 weight 0.11000E+01 volume 0.22076E-02 ppm1 1.472 ppm2 2.833 CV 1 ASSI { 3625} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 33 and name HE1 )) 3.200 1.300 1.300 peak 3625 spectrum 1 weight 0.11000E+01 volume 0.16527E-02 ppm1 1.469 ppm2 2.640 CV 1 ASSI { 3626} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 45 and name HG1 )) 6.000 5.400 0.000 peak 3626 spectrum 1 weight 0.11000E+01 volume 0.19480E-03 ppm1 1.466 ppm2 2.394 CV 1 OR { 3626} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 45 and name HG2 )) ASSI { 3627} (( segid "A " and resid 33 and name HD1 )) (( segid "A " and resid 30 and name HA )) 5.700 4.000 0.300 peak 3627 spectrum 1 weight 0.11000E+01 volume 0.10785E-03 ppm1 1.481 ppm2 4.100 CV 1 ASSI { 3628} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HE1 )) 4.600 2.600 1.400 peak 3628 spectrum 1 weight 0.11000E+01 volume 0.41898E-03 ppm1 1.554 ppm2 2.652 CV 1 ASSI { 3629} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HE2 )) 3.900 1.900 1.900 peak 3629 spectrum 1 weight 0.11000E+01 volume 0.13478E-03 ppm1 1.556 ppm2 2.831 CV 1 ASSI { 3631} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HB1 )) 1.200 0.200 1.000 peak 3631 spectrum 1 weight 0.11000E+01 volume 0.18633E-01 ppm1 1.551 ppm2 1.394 CV 1 ASSI { 3633} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 33 and name HD2 )) 1.800 0.400 0.400 peak 3633 spectrum 1 weight 0.11000E+01 volume 0.16410E-01 ppm1 1.226 ppm2 1.539 CV 1 OR { 3633} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 33 and name HB2 )) ASSI { 3635} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 48 and name HG11)) 2.500 0.800 0.800 peak 3635 spectrum 1 weight 0.11000E+01 volume 0.50023E-02 ppm1 1.232 ppm2 0.762 CV 1 OR { 3635} (( segid "A " and resid 33 and name HG2 )) ( segid "A " and resid 48 and name HG2%) OR { 3635} (( segid "A " and resid 33 and name HG2 )) ( segid "A " and resid 48 and name HD1%) ASSI { 3636} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 34 and name HN )) 4.400 2.400 1.600 peak 3636 spectrum 1 weight 0.11000E+01 volume 0.52756E-03 ppm1 1.230 ppm2 7.860 CV 1 ASSI { 3637} (( segid "A " and resid 33 and name HG2 )) ( segid "A " and resid 29 and name HE% ) 5.500 3.800 0.500 peak 3637 spectrum 1 weight 0.11000E+01 volume 0.16968E-03 ppm1 1.231 ppm2 7.213 CV 1 OR { 3637} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 29 and name HZ )) ASSI { 3640} (( segid "A " and resid 33 and name HB1 )) ( segid "A " and resid 29 and name HE% ) 6.000 5.900 0.000 peak 3640 spectrum 1 weight 0.11000E+01 volume 0.12318E-03 ppm1 1.395 ppm2 7.264 CV 1 OR { 3640} (( segid "A " and resid 33 and name HB1 )) ( segid "A " and resid 29 and name HD% ) OR { 3640} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 29 and name HZ )) ASSI { 3641} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 32 and name HN )) 6.000 6.000 0.000 peak 3641 spectrum 1 weight 0.11000E+01 volume 0.51749E-04 ppm1 1.395 ppm2 8.584 CV 1 ASSI { 3643} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HE1 )) 3.300 1.400 1.400 peak 3643 spectrum 1 weight 0.11000E+01 volume 0.66210E-03 ppm1 1.403 ppm2 2.653 CV 1 ASSI { 3645} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 37 and name HE2 )) 6.000 6.000 0.000 peak 3645 spectrum 1 weight 0.11000E+01 volume 0.50497E-04 ppm1 3.791 ppm2 3.024 CV 1 ASSI { 3647} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 35 and name HN )) 5.000 3.200 1.000 peak 3647 spectrum 1 weight 0.11000E+01 volume 0.99578E-04 ppm1 3.786 ppm2 8.691 CV 1 ASSI { 3648} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 33 and name HB1 )) 2.200 0.600 0.600 peak 3648 spectrum 1 weight 0.11000E+01 volume 0.21107E-02 ppm1 2.835 ppm2 1.399 CV 1 ASSI { 3649} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 3649 spectrum 1 weight 0.11000E+01 volume 0.47874E-02 ppm1 2.838 ppm2 1.547 CV 1 OR { 3649} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 33 and name HD2 )) ASSI { 3650} (( segid "A " and resid 33 and name HE2 )) ( segid "A " and resid 48 and name HD1%) 4.700 2.700 1.300 peak 3650 spectrum 1 weight 0.11000E+01 volume 0.23656E-03 ppm1 2.834 ppm2 0.751 CV 1 OR { 3650} (( segid "A " and resid 33 and name HE2 )) (( segid "A " and resid 48 and name HG11)) ASSI { 3651} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 37 and name HN )) 5.900 4.300 0.100 peak 3651 spectrum 1 weight 0.11000E+01 volume 0.80033E-04 ppm1 0.777 ppm2 7.505 CV 1 ASSI { 3654} (( segid "A " and resid 36 and name HB1 )) (( segid "A " and resid 37 and name HN )) 4.600 2.700 1.400 peak 3654 spectrum 1 weight 0.11000E+01 volume 0.23911E-03 ppm1 1.472 ppm2 7.492 CV 1 ASSI { 3657} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 49 and name HD1 )) 4.000 2.000 2.000 peak 3657 spectrum 1 weight 0.11000E+01 volume 0.90162E-03 ppm1 4.378 ppm2 1.350 CV 1 ASSI { 3658} (( segid "A " and resid 58 and name HB2 )) (( segid "A " and resid 57 and name HB )) 5.300 3.500 0.700 peak 3658 spectrum 1 weight 0.11000E+01 volume 0.75051E-04 ppm1 3.123 ppm2 2.070 CV 1 ASSI { 3660} (( segid "A " and resid 63 and name HG12)) (( segid "A " and resid 56 and name HB2 )) 4.300 2.300 1.700 peak 3660 spectrum 1 weight 0.11000E+01 volume 0.59317E-04 ppm1 1.605 ppm2 3.022 CV 1 ASSI { 3662} (( segid "A " and resid 63 and name HG11)) (( segid "A " and resid 63 and name HN )) 4.700 2.800 1.300 peak 3662 spectrum 1 weight 0.11000E+01 volume 0.64054E-04 ppm1 1.076 ppm2 9.654 CV 1 ASSI { 3665} (( segid "A " and resid 63 and name HG11)) (( segid "A " and resid 63 and name HG12)) 1.500 0.300 0.700 peak 3665 spectrum 1 weight 0.11000E+01 volume 0.11421E-01 ppm1 1.084 ppm2 1.593 CV 1 ASSI { 3670} (( segid "A " and resid 32 and name HG )) (( segid "A " and resid 51 and name HN )) 4.700 4.700 1.300 peak 3670 spectrum 1 weight 0.11000E+01 volume 0.38740E-03 ppm1 1.553 ppm2 7.771 CV 1 ASSI { 3673} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 88 and name HA )) 6.000 5.000 0.000 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.98108E-04 ppm1 4.259 ppm2 3.214 CV 1 OR { 3673} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 88 and name HB1 )) ASSI { 3675} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HN )) 5.300 3.500 0.700 peak 3675 spectrum 1 weight 0.11000E+01 volume 0.72139E-04 ppm1 4.257 ppm2 7.598 CV 1 ASSI { 3680} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 3680 spectrum 1 weight 0.11000E+01 volume 0.77338E-04 ppm1 0.761 ppm2 3.143 CV 1 ASSI { 3681} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 72 and name HA )) 3.200 1.300 1.300 peak 3681 spectrum 1 weight 0.11000E+01 volume 0.13328E-03 ppm1 0.768 ppm2 3.830 CV 1 ASSI { 3682} ( segid "A " and resid 75 and name HD2%) (( segid "A " and resid 74 and name HD2 )) 3.500 3.500 2.500 peak 3682 spectrum 1 weight 0.11000E+01 volume 0.72956E-04 ppm1 0.771 ppm2 6.931 CV 1 ASSI { 3684} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 42 and name HN )) 6.000 5.100 0.000 peak 3684 spectrum 1 weight 0.11000E+01 volume 0.13445E-03 ppm1 0.756 ppm2 8.999 CV 1 ASSI { 3685} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 32 and name HG )) 4.300 4.300 1.700 peak 3685 spectrum 1 weight 0.11000E+01 volume 0.47655E-03 ppm1 0.806 ppm2 1.454 CV 1 ASSI { 3687} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 146 and name HN )) 4.500 4.500 1.500 peak 3687 spectrum 1 weight 0.11000E+01 volume 0.35380E-03 ppm1 4.038 ppm2 7.577 CV 1 ASSI { 3692} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 17 and name HG1 )) 1.600 0.300 0.600 peak 3692 spectrum 1 weight 0.11000E+01 volume 0.67587E-01 ppm1 1.917 ppm2 1.743 CV 1 OR { 3692} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 17 and name HD2 )) ASSI { 3694} (( segid "A " and resid 17 and name HB2 )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 3694 spectrum 1 weight 0.11000E+01 volume 0.14779E-03 ppm1 1.918 ppm2 6.500 CV 1 ASSI { 3695} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 17 and name HB2 )) 2.000 0.500 0.500 peak 3695 spectrum 1 weight 0.11000E+01 volume 0.15321E-01 ppm1 1.741 ppm2 1.915 CV 1 ASSI { 3696} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 17 and name HG2 )) 1.500 0.300 0.700 peak 3696 spectrum 1 weight 0.11000E+01 volume 0.14249E-01 ppm1 1.743 ppm2 1.570 CV 1 ASSI { 3697} (( segid "A " and resid 17 and name HG2 )) (( segid "A " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 3697 spectrum 1 weight 0.11000E+01 volume 0.89295E-02 ppm1 1.576 ppm2 1.921 CV 1 ASSI { 3698} (( segid "A " and resid 17 and name HG2 )) (( segid "A " and resid 17 and name HG1 )) 1.300 0.200 0.900 peak 3698 spectrum 1 weight 0.11000E+01 volume 0.47925E-01 ppm1 1.575 ppm2 1.729 CV 1 OR { 3698} (( segid "A " and resid 17 and name HG2 )) (( segid "A " and resid 17 and name HD2 )) ASSI { 3699} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 14 and name HA )) 5.200 3.300 0.800 peak 3699 spectrum 1 weight 0.11000E+01 volume 0.13562E-03 ppm1 1.726 ppm2 4.084 CV 1 ASSI { 3700} (( segid "A " and resid 17 and name HG1 )) (( segid "A " and resid 16 and name HB1 )) 6.000 5.800 0.000 peak 3700 spectrum 1 weight 0.11000E+01 volume 0.84252E-04 ppm1 1.745 ppm2 3.244 CV 1 ASSI { 3701} (( segid "A " and resid 17 and name HG1 )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 3701 spectrum 1 weight 0.11000E+01 volume 0.67484E-04 ppm1 1.753 ppm2 6.528 CV 1 ASSI { 3702} (( segid "A " and resid 17 and name HD2 )) (( segid "A " and resid 17 and name HN )) 4.600 2.700 1.400 peak 3702 spectrum 1 weight 0.11000E+01 volume 0.65972E-03 ppm1 1.723 ppm2 7.861 CV 1 ASSI { 3703} (( segid "A " and resid 157 and name HB2 )) (( segid "A " and resid 157 and name HG2 )) 2.600 0.900 0.900 peak 3703 spectrum 1 weight 0.11000E+01 volume 0.49972E-02 ppm1 2.080 ppm2 1.548 CV 1 ASSI { 3704} (( segid "A " and resid 157 and name HB2 )) (( segid "A " and resid 157 and name HD2 )) 3.600 1.600 1.600 peak 3704 spectrum 1 weight 0.11000E+01 volume 0.17729E-02 ppm1 2.077 ppm2 1.758 CV 1 ASSI { 3709} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HB1 )) 1.200 0.200 1.000 peak 3709 spectrum 1 weight 0.11000E+01 volume 0.32843E-01 ppm1 2.027 ppm2 1.882 CV 1 ASSI { 3710} (( segid "A " and resid 37 and name HG1 )) (( segid "A " and resid 38 and name HN )) 4.700 2.700 1.300 peak 3710 spectrum 1 weight 0.11000E+01 volume 0.17079E-03 ppm1 1.576 ppm2 7.860 CV 1 ASSI { 3711} (( segid "A " and resid 37 and name HG2 )) (( segid "A " and resid 37 and name HN )) 3.900 1.900 1.900 peak 3711 spectrum 1 weight 0.11000E+01 volume 0.29035E-03 ppm1 1.485 ppm2 7.512 CV 1 ASSI { 3713} (( segid "A " and resid 37 and name HG2 )) ( segid "A " and resid 36 and name HD2%) 4.600 2.600 1.400 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.42554E-03 ppm1 1.474 ppm2 0.754 CV 1 OR { 3713} (( segid "A " and resid 37 and name HG2 )) ( segid "A " and resid 36 and name HD1%) ASSI { 3715} (( segid "A " and resid 37 and name HD2 )) (( segid "A " and resid 37 and name HA )) 4.200 2.200 1.800 peak 3715 spectrum 1 weight 0.11000E+01 volume 0.31203E-02 ppm1 1.740 ppm2 4.143 CV 1 ASSI { 3719} (( segid "A " and resid 44 and name HB1 )) (( segid "A " and resid 44 and name HB2 )) 1.500 0.300 0.700 peak 3719 spectrum 1 weight 0.11000E+01 volume 0.25817E-01 ppm1 2.377 ppm2 2.092 CV 1 ASSI { 3721} ( segid "A " and resid 44 and name HE% ) (( segid "A " and resid 44 and name HN )) 5.400 3.600 0.600 peak 3721 spectrum 1 weight 0.11000E+01 volume 0.34286E-03 ppm1 2.166 ppm2 9.284 CV 1 ASSI { 3723} ( segid "A " and resid 44 and name HE% ) (( segid "A " and resid 46 and name HA )) 5.900 5.900 0.100 peak 3723 spectrum 1 weight 0.11000E+01 volume 0.23855E-03 ppm1 2.169 ppm2 4.105 CV 1 ASSI { 3725} ( segid "A " and resid 44 and name HE% ) (( segid "A " and resid 46 and name HB2 )) 5.800 4.300 0.200 peak 3725 spectrum 1 weight 0.11000E+01 volume 0.77093E-04 ppm1 2.170 ppm2 3.902 CV 1 ASSI { 3728} ( segid "A " and resid 44 and name HE% ) (( segid "A " and resid 47 and name HN )) 6.000 4.500 0.000 peak 3728 spectrum 1 weight 0.11000E+01 volume 0.85259E-04 ppm1 2.167 ppm2 7.091 CV 1 ASSI { 3731} (( segid "A " and resid 15 and name HB1 )) ( segid "A " and resid 68 and name HD% ) 6.000 5.100 0.000 peak 3731 spectrum 1 weight 0.11000E+01 volume 0.82130E-04 ppm1 1.854 ppm2 7.041 CV 1 ASSI { 3735} (( segid "A " and resid 88 and name HB2 )) ( segid "A " and resid 84 and name HD1%) 5.600 3.900 0.400 peak 3735 spectrum 1 weight 0.11000E+01 volume 0.94270E-04 ppm1 2.951 ppm2 0.914 CV 1 ASSI { 3736} (( segid "A " and resid 36 and name HG )) ( segid "A " and resid 32 and name HD1%) 2.400 2.400 3.600 peak 3736 spectrum 1 weight 0.11000E+01 volume 0.16845E-01 ppm1 1.869 ppm2 0.902 CV 1 OR { 3736} (( segid "A " and resid 36 and name HG )) ( segid "A " and resid 32 and name HD2%) ASSI { 3737} (( segid "A " and resid 36 and name HG )) (( segid "A " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 3737 spectrum 1 weight 0.11000E+01 volume 0.35061E-02 ppm1 1.873 ppm2 1.479 CV 1 ASSI { 3741} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 121 and name HA )) 4.500 2.600 1.500 peak 3741 spectrum 1 weight 0.11000E+01 volume 0.18421E-03 ppm1 1.646 ppm2 4.030 CV 1 ASSI { 3742} (( segid "A " and resid 101 and name HG )) (( segid "A " and resid 131 and name HA1 )) 6.000 6.000 0.000 peak 3742 spectrum 1 weight 0.11000E+01 volume 0.88309E-04 ppm1 1.642 ppm2 3.460 CV 1 ASSI { 3744} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 52 and name HG2 )) 3.600 1.600 1.600 peak 3744 spectrum 1 weight 0.11000E+01 volume 0.17116E-02 ppm1 0.899 ppm2 2.484 CV 1 OR { 3744} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 52 and name HB2 )) ASSI { 3746} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 32 and name HG )) 1.700 1.700 4.300 peak 3746 spectrum 1 weight 0.11000E+01 volume 0.25706E-01 ppm1 0.898 ppm2 1.499 CV 1 ASSI { 3747} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 48 and name HA )) 6.000 5.200 0.000 peak 3747 spectrum 1 weight 0.11000E+01 volume 0.96721E-04 ppm1 0.896 ppm2 3.592 CV 1 ASSI { 3748} ( segid "A " and resid 32 and name HD2%) (( segid "A " and resid 33 and name HA )) 6.000 6.000 0.000 peak 3748 spectrum 1 weight 0.11000E+01 volume 0.66695E-04 ppm1 0.898 ppm2 3.744 CV 1 ASSI { 3756} (( segid "A " and resid 85 and name HB )) (( segid "A " and resid 85 and name HA )) 3.100 1.200 1.200 peak 3756 spectrum 1 weight 0.11000E+01 volume 0.10809E-02 ppm1 2.182 ppm2 3.875 CV 1 ASSI { 3759} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 135 and name HD% ) 6.000 6.000 0.000 peak 3759 spectrum 1 weight 0.11000E+01 volume 0.65552E-04 ppm1 2.177 ppm2 6.478 CV 1 ASSI { 3761} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 89 and name HB2 )) 5.400 3.700 0.600 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.16314E-03 ppm1 0.996 ppm2 4.018 CV 1 OR { 3761} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 89 and name HB1 )) OR { 3761} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 89 and name HA )) ASSI { 3762} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 85 and name HB )) 2.800 1.000 1.000 peak 3762 spectrum 1 weight 0.11000E+01 volume 0.33774E-02 ppm1 0.996 ppm2 2.189 CV 1 ASSI { 3764} ( segid "A " and resid 71 and name HB% ) ( segid "A " and resid 68 and name HE% ) 5.100 5.100 0.900 peak 3764 spectrum 1 weight 0.11000E+01 volume 0.90923E-04 ppm1 1.412 ppm2 6.948 CV 1 ASSI { 3766} ( segid "A " and resid 71 and name HB% ) (( segid "A " and resid 68 and name HB1 )) 4.300 4.300 1.700 peak 3766 spectrum 1 weight 0.11000E+01 volume 0.24091E-04 ppm1 1.438 ppm2 3.276 CV 1 ASSI { 3767} ( segid "A " and resid 71 and name HB% ) (( segid "A " and resid 74 and name HB1 )) 6.000 6.000 0.000 peak 3767 spectrum 1 weight 0.11000E+01 volume 0.23874E-04 ppm1 1.441 ppm2 2.993 CV 1 ASSI { 3768} ( segid "A " and resid 140 and name HB% ) ( segid "A " and resid 125 and name HG2%) 3.900 3.900 2.100 peak 3768 spectrum 1 weight 0.11000E+01 volume 0.20528E-02 ppm1 1.469 ppm2 0.916 CV 1 ASSI { 3770} ( segid "A " and resid 139 and name HB% ) (( segid "A " and resid 135 and name HN )) 3.700 3.700 2.300 peak 3770 spectrum 1 weight 0.11000E+01 volume 0.55860E-04 ppm1 1.146 ppm2 8.565 CV 1 ASSI { 3771} ( segid "A " and resid 139 and name HB% ) ( segid "A " and resid 138 and name HD% ) 6.000 6.000 0.000 peak 3771 spectrum 1 weight 0.11000E+01 volume 0.83109E-04 ppm1 1.175 ppm2 6.972 CV 1 ASSI { 3772} ( segid "A " and resid 139 and name HB% ) (( segid "A " and resid 136 and name HN )) 6.000 6.000 0.000 peak 3772 spectrum 1 weight 0.11000E+01 volume 0.63781E-04 ppm1 1.166 ppm2 8.286 CV 1 ASSI { 3773} (( segid "A " and resid 56 and name HB1 )) (( segid "A " and resid 53 and name HA )) 4.600 2.700 1.400 peak 3773 spectrum 1 weight 0.11000E+01 volume 0.22481E-03 ppm1 2.409 ppm2 4.329 CV 1 ASSI { 3775} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 63 and name HG11)) 5.600 4.000 0.400 peak 3775 spectrum 1 weight 0.11000E+01 volume 0.48102E-04 ppm1 3.022 ppm2 1.056 CV 1 ASSI { 3780} ( segid "A " and resid 101 and name HD2%) (( segid "A " and resid 123 and name HE2 )) 6.000 4.800 0.000 peak 3780 spectrum 1 weight 0.11000E+01 volume 0.97946E-04 ppm1 0.881 ppm2 2.996 CV 1 ASSI { 3782} ( segid "A " and resid 101 and name HD2%) (( segid "A " and resid 122 and name HB )) 4.700 2.800 1.300 peak 3782 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 0.905 ppm2 2.029 CV 1 ASSI { 3783} ( segid "A " and resid 87 and name HB% ) (( segid "A " and resid 90 and name HN )) 5.500 3.800 0.500 peak 3783 spectrum 1 weight 0.11000E+01 volume 0.27617E-03 ppm1 1.846 ppm2 7.521 CV 1 ASSI { 3785} ( segid "A " and resid 87 and name HB% ) (( segid "A " and resid 88 and name HA )) 4.800 2.900 1.200 peak 3785 spectrum 1 weight 0.11000E+01 volume 0.22475E-03 ppm1 1.850 ppm2 3.222 CV 1 ASSI { 3789} (( segid "A " and resid 137 and name HA )) ( segid "A " and resid 125 and name HG2%) 5.700 5.700 0.300 peak 3789 spectrum 1 weight 0.11000E+01 volume 0.16379E-03 ppm1 4.099 ppm2 0.924 CV 1 ASSI { 3790} (( segid "A " and resid 137 and name HA )) (( segid "A " and resid 134 and name HN )) 6.000 6.000 0.000 peak 3790 spectrum 1 weight 0.11000E+01 volume 0.44998E-04 ppm1 4.073 ppm2 9.441 CV 1 ASSI { 3793} (( segid "A " and resid 137 and name HB2 )) (( segid "A " and resid 137 and name HG2 )) 2.900 1.000 1.000 peak 3793 spectrum 1 weight 0.11000E+01 volume 0.27301E-02 ppm1 2.619 ppm2 2.358 CV 1 ASSI { 3794} (( segid "A " and resid 137 and name HB1 )) (( segid "A " and resid 137 and name HB2 )) 1.400 0.200 0.800 peak 3794 spectrum 1 weight 0.11000E+01 volume 0.14645E-01 ppm1 2.092 ppm2 2.610 CV 1 ASSI { 3795} (( segid "A " and resid 137 and name HB1 )) (( segid "A " and resid 137 and name HA )) 2.300 0.700 0.700 peak 3795 spectrum 1 weight 0.11000E+01 volume 0.41733E-02 ppm1 2.102 ppm2 4.102 CV 1 ASSI { 3796} (( segid "A " and resid 137 and name HB1 )) (( segid "A " and resid 133 and name HA )) 4.800 2.900 1.200 peak 3796 spectrum 1 weight 0.11000E+01 volume 0.16037E-03 ppm1 2.072 ppm2 5.245 CV 1 ASSI { 3798} (( segid "A " and resid 137 and name HG1 )) (( segid "A " and resid 134 and name HN )) 5.000 3.100 1.000 peak 3798 spectrum 1 weight 0.11000E+01 volume 0.67838E-04 ppm1 2.912 ppm2 9.439 CV 1 ASSI { 3800} (( segid "A " and resid 136 and name HA2 )) (( segid "A " and resid 136 and name HN )) 2.800 1.000 1.000 peak 3800 spectrum 1 weight 0.11000E+01 volume 0.64253E-02 ppm1 3.635 ppm2 8.230 CV 1 ASSI { 3802} (( segid "A " and resid 135 and name HA )) (( segid "A " and resid 136 and name HN )) 5.700 4.000 0.300 peak 3802 spectrum 1 weight 0.11000E+01 volume 0.47829E-04 ppm1 3.473 ppm2 8.214 CV 1 ASSI { 3803} (( segid "A " and resid 135 and name HA )) ( segid "A " and resid 88 and name HD% ) 5.600 3.900 0.400 peak 3803 spectrum 1 weight 0.11000E+01 volume 0.54199E-04 ppm1 3.483 ppm2 6.737 CV 1 ASSI { 3804} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 135 and name HB2 )) 6.000 6.000 0.000 peak 3804 spectrum 1 weight 0.11000E+01 volume 0.69797E-04 ppm1 5.259 ppm2 2.465 CV 1 ASSI { 3805} (( segid "A " and resid 134 and name HB2 )) (( segid "A " and resid 135 and name HB2 )) 6.000 6.000 0.000 peak 3805 spectrum 1 weight 0.11000E+01 volume 0.64680E-04 ppm1 3.180 ppm2 2.471 CV 1 ASSI { 3807} (( segid "A " and resid 133 and name HG12)) (( segid "A " and resid 122 and name HA )) 3.700 1.700 1.700 peak 3807 spectrum 1 weight 0.11000E+01 volume 0.60080E-04 ppm1 1.391 ppm2 3.570 CV 1 ASSI { 3808} (( segid "A " and resid 133 and name HG11)) (( segid "A " and resid 122 and name HA )) 3.000 3.000 3.000 peak 3808 spectrum 1 weight 0.11000E+01 volume 0.18933E-03 ppm1 1.035 ppm2 3.577 CV 1 ASSI { 3809} (( segid "A " and resid 133 and name HG12)) (( segid "A " and resid 127 and name HE21)) 4.500 2.500 1.500 peak 3809 spectrum 1 weight 0.11000E+01 volume 0.88009E-04 ppm1 1.383 ppm2 7.531 CV 1 ASSI { 3811} (( segid "A " and resid 133 and name HG11)) (( segid "A " and resid 126 and name HN )) 5.500 3.800 0.500 peak 3811 spectrum 1 weight 0.11000E+01 volume 0.15555E-03 ppm1 1.008 ppm2 8.179 CV 1 ASSI { 3814} ( segid "A " and resid 133 and name HD1%) (( segid "A " and resid 134 and name HN )) 6.000 6.000 0.000 peak 3814 spectrum 1 weight 0.11000E+01 volume 0.73528E-04 ppm1 0.751 ppm2 9.399 CV 1 ASSI { 3815} (( segid "A " and resid 132 and name HB2 )) (( segid "A " and resid 132 and name HE21)) 4.800 2.900 1.200 peak 3815 spectrum 1 weight 0.11000E+01 volume 0.76603E-04 ppm1 1.876 ppm2 6.331 CV 1 ASSI { 3818} (( segid "A " and resid 130 and name HB1 )) (( segid "A " and resid 132 and name HN )) 5.400 3.700 0.600 peak 3818 spectrum 1 weight 0.11000E+01 volume 0.15773E-03 ppm1 2.454 ppm2 8.022 CV 1 ASSI { 3819} (( segid "A " and resid 130 and name HB1 )) (( segid "A " and resid 129 and name HN )) 6.000 6.000 0.000 peak 3819 spectrum 1 weight 0.11000E+01 volume 0.95523E-04 ppm1 2.459 ppm2 7.724 CV 1 ASSI { 3821} (( segid "A " and resid 126 and name HB2 )) (( segid "A " and resid 125 and name HN )) 5.600 3.900 0.400 peak 3821 spectrum 1 weight 0.11000E+01 volume 0.29333E-03 ppm1 2.906 ppm2 7.555 CV 1 ASSI { 3822} (( segid "A " and resid 130 and name HB2 )) (( segid "A " and resid 132 and name HG2 )) 5.600 4.000 0.400 peak 3822 spectrum 1 weight 0.11000E+01 volume 0.23084E-04 ppm1 2.916 ppm2 2.050 CV 1 ASSI { 3823} (( segid "A " and resid 129 and name HB1 )) (( segid "A " and resid 129 and name HD21)) 5.000 3.100 1.000 peak 3823 spectrum 1 weight 0.11000E+01 volume 0.14551E-03 ppm1 2.697 ppm2 6.710 CV 1 ASSI { 3825} (( segid "A " and resid 129 and name HB1 )) (( segid "A " and resid 131 and name HN )) 5.000 3.100 1.000 peak 3825 spectrum 1 weight 0.11000E+01 volume 0.41678E-03 ppm1 2.705 ppm2 10.246 CV 1 ASSI { 3826} (( segid "A " and resid 129 and name HB2 )) (( segid "A " and resid 131 and name HN )) 4.200 2.300 1.800 peak 3826 spectrum 1 weight 0.11000E+01 volume 0.76636E-03 ppm1 3.086 ppm2 10.250 CV 1 ASSI { 3831} (( segid "A " and resid 23 and name HB2 )) (( segid "A " and resid 22 and name HA )) 3.200 3.200 2.800 peak 3831 spectrum 1 weight 0.11000E+01 volume 0.13486E-03 ppm1 3.076 ppm2 4.743 CV 1 ASSI { 3836} (( segid "A " and resid 127 and name HG1 )) (( segid "A " and resid 128 and name HN )) 6.000 5.100 0.000 peak 3836 spectrum 1 weight 0.11000E+01 volume 0.10091E-03 ppm1 2.488 ppm2 8.170 CV 1 ASSI { 3837} (( segid "A " and resid 127 and name HG2 )) (( segid "A " and resid 127 and name HE22)) 6.000 5.000 0.000 peak 3837 spectrum 1 weight 0.11000E+01 volume 0.10494E-03 ppm1 2.575 ppm2 6.723 CV 1 ASSI { 3839} (( segid "A " and resid 127 and name HG1 )) ( segid "A " and resid 140 and name HB% ) 6.000 5.100 0.000 peak 3839 spectrum 1 weight 0.11000E+01 volume 0.65742E-04 ppm1 2.480 ppm2 1.469 CV 1 ASSI { 3840} (( segid "A " and resid 106 and name HG1 )) (( segid "A " and resid 106 and name HE21)) 5.900 4.400 0.100 peak 3840 spectrum 1 weight 0.11000E+01 volume 0.39690E-04 ppm1 2.477 ppm2 7.826 CV 1 ASSI { 3841} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 127 and name HB1 )) 6.000 6.000 0.000 peak 3841 spectrum 1 weight 0.11000E+01 volume 0.69771E-04 ppm1 4.420 ppm2 2.064 CV 1 ASSI { 3844} (( segid "A " and resid 126 and name HB1 )) (( segid "A " and resid 133 and name HG12)) 6.000 5.500 0.000 peak 3844 spectrum 1 weight 0.11000E+01 volume 0.64108E-04 ppm1 2.496 ppm2 1.395 CV 1 ASSI { 3845} (( segid "A " and resid 125 and name HA )) ( segid "A " and resid 138 and name HD% ) 6.000 6.000 0.000 peak 3845 spectrum 1 weight 0.11000E+01 volume 0.65987E-04 ppm1 4.110 ppm2 6.970 CV 1 ASSI { 3846} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 125 and name HA )) 3.600 1.600 1.600 peak 3846 spectrum 1 weight 0.11000E+01 volume 0.10890E-02 ppm1 1.664 ppm2 4.112 CV 1 ASSI { 3847} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 121 and name HG2 )) 3.200 1.300 1.300 peak 3847 spectrum 1 weight 0.11000E+01 volume 0.76720E-03 ppm1 1.663 ppm2 2.402 CV 1 ASSI { 3848} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 123 and name HN )) 5.100 3.200 0.900 peak 3848 spectrum 1 weight 0.11000E+01 volume 0.55484E-03 ppm1 4.147 ppm2 7.722 CV 1 ASSI { 3849} (( segid "A " and resid 124 and name HB2 )) (( segid "A " and resid 125 and name HG12)) 4.400 2.400 1.600 peak 3849 spectrum 1 weight 0.11000E+01 volume 0.20454E-02 ppm1 2.128 ppm2 1.185 CV 1 ASSI { 3850} (( segid "A " and resid 124 and name HB2 )) ( segid "A " and resid 125 and name HD1%) 4.700 4.700 1.300 peak 3850 spectrum 1 weight 0.11000E+01 volume 0.19782E-02 ppm1 2.129 ppm2 0.772 CV 1 ASSI { 3851} (( segid "A " and resid 124 and name HB2 )) (( segid "A " and resid 123 and name HN )) 6.000 4.600 0.000 peak 3851 spectrum 1 weight 0.11000E+01 volume 0.15519E-03 ppm1 2.133 ppm2 7.733 CV 1 ASSI { 3853} (( segid "A " and resid 96 and name HB1 )) (( segid "A " and resid 98 and name HN )) 6.000 6.000 0.000 peak 3853 spectrum 1 weight 0.11000E+01 volume 0.89779E-04 ppm1 4.291 ppm2 7.621 CV 1 ASSI { 3854} (( segid "A " and resid 96 and name HB1 )) (( segid "A " and resid 96 and name HB2 )) 1.600 0.300 0.600 peak 3854 spectrum 1 weight 0.11000E+01 volume 0.24548E-01 ppm1 4.289 ppm2 4.059 CV 1 ASSI { 3855} (( segid "A " and resid 96 and name HB2 )) (( segid "A " and resid 96 and name HB1 )) 1.900 0.500 0.500 peak 3855 spectrum 1 weight 0.11000E+01 volume 0.10994E-01 ppm1 4.063 ppm2 4.276 CV 1 OR { 3855} (( segid "A " and resid 96 and name HB2 )) (( segid "A " and resid 96 and name HA )) ASSI { 3856} (( segid "A " and resid 97 and name HA1 )) ( segid "A " and resid 88 and name HD% ) 6.000 5.300 0.000 peak 3856 spectrum 1 weight 0.11000E+01 volume 0.18432E-03 ppm1 3.461 ppm2 6.748 CV 1 ASSI { 3857} (( segid "A " and resid 97 and name HA2 )) ( segid "A " and resid 98 and name HD% ) 5.600 4.000 0.400 peak 3857 spectrum 1 weight 0.11000E+01 volume 0.27639E-03 ppm1 4.217 ppm2 6.924 CV 1 ASSI { 3858} (( segid "A " and resid 97 and name HA2 )) (( segid "A " and resid 98 and name HB2 )) 6.000 6.000 0.000 peak 3858 spectrum 1 weight 0.11000E+01 volume 0.58175E-04 ppm1 4.226 ppm2 2.594 CV 1 ASSI { 3859} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 88 and name HD% ) 4.600 2.700 1.400 peak 3859 spectrum 1 weight 0.11000E+01 volume 0.55460E-03 ppm1 5.176 ppm2 6.728 CV 1 ASSI { 3860} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 134 and name HB1 )) 6.000 6.000 0.000 peak 3860 spectrum 1 weight 0.11000E+01 volume 0.82537E-04 ppm1 5.186 ppm2 3.009 CV 1 ASSI { 3861} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 135 and name HB1 )) 6.000 6.000 0.000 peak 3861 spectrum 1 weight 0.11000E+01 volume 0.40806E-04 ppm1 5.185 ppm2 2.083 CV 1 ASSI { 3862} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 99 and name HG2%) 6.000 6.000 0.000 peak 3862 spectrum 1 weight 0.11000E+01 volume 0.23166E-04 ppm1 5.176 ppm2 0.828 CV 1 ASSI { 3864} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 63 and name HN )) 6.000 6.000 0.000 peak 3864 spectrum 1 weight 0.11000E+01 volume 0.65823E-04 ppm1 1.292 ppm2 9.694 CV 1 ASSI { 3868} (( segid "A " and resid 102 and name HA )) ( segid "A " and resid 101 and name HD1%) 4.100 2.100 1.900 peak 3868 spectrum 1 weight 0.11000E+01 volume 0.10544E-02 ppm1 4.425 ppm2 0.915 CV 1 OR { 3868} (( segid "A " and resid 102 and name HA )) ( segid "A " and resid 101 and name HD2%) ASSI { 3872} ( segid "A " and resid 87 and name HB% ) (( segid "A " and resid 91 and name HN )) 3.400 1.500 1.500 peak 3872 spectrum 1 weight 0.11000E+01 volume 0.19616E-02 ppm1 1.832 ppm2 7.081 CV 1 ASSI { 3873} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 89 and name HN )) 4.900 4.900 1.100 peak 3873 spectrum 1 weight 0.11000E+01 volume 0.10886E-03 ppm1 3.246 ppm2 8.374 CV 1 ASSI { 3877} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 90 and name HN )) 6.000 5.200 0.000 peak 3877 spectrum 1 weight 0.11000E+01 volume 0.46877E-04 ppm1 3.238 ppm2 7.522 CV 1 ASSI { 3878} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 91 and name HB2 )) 3.600 1.600 1.600 peak 3878 spectrum 1 weight 0.11000E+01 volume 0.90666E-03 ppm1 3.225 ppm2 2.610 CV 1 OR { 3878} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 91 and name HB1 )) ASSI { 3881} (( segid "A " and resid 88 and name HB1 )) (( segid "A " and resid 89 and name HN )) 4.500 4.500 1.500 peak 3881 spectrum 1 weight 0.11000E+01 volume 0.18563E-03 ppm1 3.241 ppm2 8.379 CV 1 ASSI { 3882} (( segid "A " and resid 88 and name HB2 )) ( segid "A " and resid 88 and name HE% ) 6.000 6.000 0.000 peak 3882 spectrum 1 weight 0.11000E+01 volume 0.63890E-04 ppm1 2.957 ppm2 7.039 CV 1 ASSI { 3883} (( segid "A " and resid 88 and name HB1 )) (( segid "A " and resid 89 and name HA )) 5.400 3.700 0.600 peak 3883 spectrum 1 weight 0.11000E+01 volume 0.93835E-04 ppm1 3.230 ppm2 4.049 CV 1 ASSI { 3884} (( segid "A " and resid 88 and name HB1 )) (( segid "A " and resid 135 and name HA )) 6.000 6.000 0.000 peak 3884 spectrum 1 weight 0.11000E+01 volume 0.91629E-04 ppm1 3.209 ppm2 3.520 CV 1 ASSI { 3885} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 92 and name HB1 )) 6.000 5.200 0.000 peak 3885 spectrum 1 weight 0.11000E+01 volume 0.96530E-04 ppm1 4.019 ppm2 2.336 CV 1 OR { 3885} (( segid "A " and resid 89 and name HB1 )) (( segid "A " and resid 92 and name HB1 )) ASSI { 3886} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 90 and name HB2 )) 6.000 6.000 0.000 peak 3886 spectrum 1 weight 0.11000E+01 volume 0.69771E-04 ppm1 4.084 ppm2 3.033 CV 1 ASSI { 3888} (( segid "A " and resid 89 and name HA )) ( segid "A " and resid 88 and name HD% ) 6.000 6.000 0.000 peak 3888 spectrum 1 weight 0.11000E+01 volume 0.44046E-04 ppm1 4.019 ppm2 6.755 CV 1 ASSI { 3891} (( segid "A " and resid 138 and name HB1 )) ( segid "A " and resid 135 and name HD% ) 3.900 3.900 2.100 peak 3891 spectrum 1 weight 0.11000E+01 volume 0.41514E-04 ppm1 3.174 ppm2 6.467 CV 1 ASSI { 3892} (( segid "A " and resid 139 and name HA )) (( segid "A " and resid 138 and name HN )) 5.500 3.800 0.500 peak 3892 spectrum 1 weight 0.11000E+01 volume 0.32030E-03 ppm1 3.689 ppm2 8.791 CV 1 ASSI { 3893} (( segid "A " and resid 139 and name HA )) ( segid "A " and resid 138 and name HD% ) 5.700 4.100 0.300 peak 3893 spectrum 1 weight 0.11000E+01 volume 0.73065E-04 ppm1 3.701 ppm2 6.954 CV 1 ASSI { 3894} (( segid "A " and resid 139 and name HA )) ( segid "A " and resid 138 and name HE% ) 6.000 6.000 0.000 peak 3894 spectrum 1 weight 0.11000E+01 volume 0.72602E-04 ppm1 3.679 ppm2 7.036 CV 1 ASSI { 3903} (( segid "A " and resid 13 and name HA )) ( segid "A " and resid 65 and name HD% ) 5.200 3.400 0.800 peak 3903 spectrum 1 weight 0.11000E+01 volume 0.10679E-03 ppm1 4.130 ppm2 6.357 CV 1 ASSI { 3904} ( segid "A " and resid 48 and name HD1%) (( segid "A " and resid 43 and name HA )) 3.500 3.500 2.500 peak 3904 spectrum 1 weight 0.11000E+01 volume 0.73336E-04 ppm1 0.757 ppm2 4.319 CV 1 ASSI { 3906} ( segid "A " and resid 69 and name HG2%) (( segid "A " and resid 74 and name HN )) 6.000 6.000 0.000 peak 3906 spectrum 1 weight 0.11000E+01 volume 0.76794E-04 ppm1 0.726 ppm2 7.775 CV 1 ASSI { 3907} (( segid "A " and resid 48 and name HG12)) (( segid "A " and resid 47 and name HN )) 6.000 6.000 0.000 peak 3907 spectrum 1 weight 0.11000E+01 volume 0.42576E-04 ppm1 1.809 ppm2 7.051 CV 1 ASSI { 3908} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 47 and name HB2 )) 6.000 5.400 0.000 peak 3908 spectrum 1 weight 0.11000E+01 volume 0.72357E-04 ppm1 0.750 ppm2 2.520 CV 1 ASSI { 3909} (( segid "A " and resid 48 and name HG11)) (( segid "A " and resid 56 and name HB2 )) 4.900 3.000 1.100 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.61686E-04 ppm1 0.737 ppm2 2.987 CV 1 ASSI { 3911} ( segid "A " and resid 73 and name HG1%) ( segid "A " and resid 70 and name HB% ) 3.200 3.200 2.800 peak 3911 spectrum 1 weight 0.11000E+01 volume 0.14439E-03 ppm1 0.836 ppm2 1.540 CV 1 ASSI { 3912} ( segid "A " and resid 73 and name HG1%) (( segid "A " and resid 74 and name HB1 )) 6.000 6.000 0.000 peak 3912 spectrum 1 weight 0.11000E+01 volume 0.70913E-04 ppm1 0.832 ppm2 2.946 CV 1 ASSI { 3913} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 38 and name HN )) 6.000 6.000 0.000 peak 3913 spectrum 1 weight 0.11000E+01 volume 0.23031E-04 ppm1 0.781 ppm2 7.828 CV 1 ASSI { 3915} ( segid "A " and resid 39 and name HG1%) (( segid "A " and resid 39 and name HB )) 2.900 1.100 1.100 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.24399E-02 ppm1 0.838 ppm2 2.454 CV 1 ASSI { 3916} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 16 and name HB2 )) 3.600 3.600 2.400 peak 3916 spectrum 1 weight 0.11000E+01 volume 0.70343E-04 ppm1 0.807 ppm2 2.770 CV 1 ASSI { 3917} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 72 and name HB )) 5.500 3.700 0.500 peak 3917 spectrum 1 weight 0.11000E+01 volume 0.55560E-04 ppm1 0.805 ppm2 4.100 CV 1 ASSI { 3918} ( segid "A " and resid 72 and name HG2%) (( segid "A " and resid 69 and name HA )) 6.000 5.400 0.000 peak 3918 spectrum 1 weight 0.11000E+01 volume 0.23765E-04 ppm1 0.813 ppm2 3.599 CV 1 ASSI { 3919} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 67 and name HB1 )) 4.500 2.500 1.500 peak 3919 spectrum 1 weight 0.11000E+01 volume 0.39725E-03 ppm1 5.203 ppm2 2.273 CV 1 ASSI { 3921} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 42 and name HG1 )) 6.000 6.000 0.000 peak 3921 spectrum 1 weight 0.11000E+01 volume 0.94434E-04 ppm1 3.734 ppm2 2.336 CV 1 ASSI { 3922} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 43 and name HG )) 4.700 2.800 1.300 peak 3922 spectrum 1 weight 0.11000E+01 volume 0.27310E-03 ppm1 3.736 ppm2 1.676 CV 1 ASSI { 3923} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 37 and name HA )) 3.900 1.900 1.900 peak 3923 spectrum 1 weight 0.11000E+01 volume 0.65263E-03 ppm1 3.730 ppm2 4.151 CV 1 ASSI { 3928} (( segid "A " and resid 41 and name HB2 )) (( segid "A " and resid 43 and name HN )) 6.000 5.800 0.000 peak 3928 spectrum 1 weight 0.11000E+01 volume 0.76413E-04 ppm1 3.726 ppm2 7.814 CV 1 ASSI { 3932} (( segid "A " and resid 49 and name HE2 )) (( segid "A " and resid 49 and name HB2 )) 4.800 2.900 1.200 peak 3932 spectrum 1 weight 0.11000E+01 volume 0.97782E-04 ppm1 2.787 ppm2 2.038 CV 1 ASSI { 3933} (( segid "A " and resid 49 and name HE2 )) (( segid "A " and resid 49 and name HB1 )) 5.300 3.500 0.700 peak 3933 spectrum 1 weight 0.11000E+01 volume 0.10116E-03 ppm1 2.781 ppm2 1.879 CV 1 ASSI { 3934} (( segid "A " and resid 49 and name HE2 )) (( segid "A " and resid 29 and name HZ )) 3.300 3.300 2.700 peak 3934 spectrum 1 weight 0.11000E+01 volume 0.11137E-03 ppm1 2.780 ppm2 7.184 CV 1 ASSI { 3935} (( segid "A " and resid 37 and name HB2 )) (( segid "A " and resid 33 and name HE2 )) 6.000 5.300 0.000 peak 3935 spectrum 1 weight 0.11000E+01 volume 0.58636E-04 ppm1 2.029 ppm2 2.807 CV 1 OR { 3935} (( segid "A " and resid 37 and name HB1 )) (( segid "A " and resid 33 and name HE2 )) ASSI { 3936} (( segid "A " and resid 37 and name HB2 )) (( segid "A " and resid 37 and name HE2 )) 5.200 3.300 0.800 peak 3936 spectrum 1 weight 0.11000E+01 volume 0.79135E-04 ppm1 2.011 ppm2 3.010 CV 1 OR { 3936} (( segid "A " and resid 37 and name HB1 )) (( segid "A " and resid 37 and name HE2 )) ASSI { 3937} (( segid "A " and resid 49 and name HG2 )) ( segid "A " and resid 29 and name HD% ) 4.700 4.700 1.300 peak 3937 spectrum 1 weight 0.11000E+01 volume 0.17951E-03 ppm1 1.404 ppm2 7.259 CV 1 ASSI { 3938} (( segid "A " and resid 49 and name HG2 )) (( segid "A " and resid 50 and name HA )) 5.300 3.600 0.700 peak 3938 spectrum 1 weight 0.11000E+01 volume 0.62747E-04 ppm1 1.388 ppm2 4.372 CV 1 ASSI { 3940} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 119 and name HA )) 6.000 6.000 0.000 peak 3940 spectrum 1 weight 0.11000E+01 volume 0.10720E-03 ppm1 0.840 ppm2 4.308 CV 1 ASSI { 3942} (( segid "A " and resid 28 and name HA )) (( segid "A " and resid 28 and name HN )) 2.400 0.700 0.700 peak 3942 spectrum 1 weight 0.11000E+01 volume 0.32277E-02 ppm1 4.893 ppm2 8.743 CV 1 ASSI { 3943} (( segid "A " and resid 28 and name HA )) ( segid "A " and resid 28 and name HG2%) 3.400 1.400 1.400 peak 3943 spectrum 1 weight 0.11000E+01 volume 0.79933E-03 ppm1 4.854 ppm2 1.281 CV 1 ASSI { 3944} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 31 and name HA )) 6.000 5.300 0.000 peak 3944 spectrum 1 weight 0.11000E+01 volume 0.13682E-03 ppm1 1.482 ppm2 4.078 CV 1 ASSI { 3946} (( segid "A " and resid 21 and name HB )) (( segid "A " and resid 31 and name HG2 )) 6.000 6.000 0.000 peak 3946 spectrum 1 weight 0.11000E+01 volume 0.93018E-04 ppm1 4.298 ppm2 2.368 CV 1 OR { 3946} (( segid "A " and resid 21 and name HB )) (( segid "A " and resid 31 and name HB2 )) ASSI { 3949} (( segid "A " and resid 23 and name HA )) (( segid "A " and resid 24 and name HB2 )) 5.300 3.500 0.700 peak 3949 spectrum 1 weight 0.11000E+01 volume 0.40491E-03 ppm1 4.336 ppm2 3.985 CV 1 ASSI { 3951} (( segid "A " and resid 24 and name HB1 )) (( segid "A " and resid 24 and name HB2 )) 1.600 0.300 0.600 peak 3951 spectrum 1 weight 0.11000E+01 volume 0.26761E-01 ppm1 4.232 ppm2 3.966 CV 1 ASSI { 3953} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 25 and name HA1 )) 4.800 2.800 1.200 peak 3953 spectrum 1 weight 0.11000E+01 volume 0.30589E-03 ppm1 4.971 ppm2 3.716 CV 1 ASSI { 3957} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 31 and name HG1 )) 4.400 2.400 1.600 peak 3957 spectrum 1 weight 0.11000E+01 volume 0.12608E-02 ppm1 5.000 ppm2 2.479 CV 1 ASSI { 3958} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 31 and name HA )) 6.000 4.700 0.000 peak 3958 spectrum 1 weight 0.11000E+01 volume 0.18176E-03 ppm1 4.997 ppm2 4.065 CV 1 ASSI { 3959} (( segid "A " and resid 27 and name HB )) (( segid "A " and resid 63 and name HG11)) 5.800 4.300 0.200 peak 3959 spectrum 1 weight 0.11000E+01 volume 0.46414E-04 ppm1 1.762 ppm2 1.083 CV 1 ASSI { 3961} (( segid "A " and resid 27 and name HG12)) (( segid "A " and resid 31 and name HB2 )) 6.000 5.700 0.000 peak 3961 spectrum 1 weight 0.11000E+01 volume 0.49055E-04 ppm1 0.346 ppm2 2.379 CV 1 OR { 3961} (( segid "A " and resid 27 and name HG12)) (( segid "A " and resid 31 and name HG2 )) ASSI { 3962} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 16 and name HB2 )) 6.000 6.000 0.000 peak 3962 spectrum 1 weight 0.11000E+01 volume 0.37021E-04 ppm1 0.117 ppm2 2.740 CV 1 ASSI { 3963} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 68 and name HB2 )) 5.400 3.700 0.600 peak 3963 spectrum 1 weight 0.11000E+01 volume 0.42440E-04 ppm1 0.114 ppm2 3.418 CV 1 ASSI { 3964} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 19 and name HA )) 6.000 6.000 0.000 peak 3964 spectrum 1 weight 0.11000E+01 volume 0.43391E-04 ppm1 0.114 ppm2 3.732 CV 1 ASSI { 3965} ( segid "A " and resid 27 and name HD1%) (( segid "A " and resid 31 and name HA )) 6.000 6.000 0.000 peak 3965 spectrum 1 weight 0.11000E+01 volume 0.53274E-04 ppm1 0.108 ppm2 4.121 CV 1 ASSI { 3966} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 61 and name HA1 )) 6.000 6.000 0.000 peak 3966 spectrum 1 weight 0.11000E+01 volume 0.66966E-04 ppm1 1.280 ppm2 3.512 CV 1 ASSI { 3968} (( segid "A " and resid 29 and name HB2 )) (( segid "A " and resid 32 and name HB2 )) 6.000 5.200 0.000 peak 3968 spectrum 1 weight 0.11000E+01 volume 0.98872E-04 ppm1 3.370 ppm2 1.922 CV 1 ASSI { 3969} (( segid "A " and resid 31 and name HB2 )) ( segid "A " and resid 28 and name HG2%) 6.000 4.900 0.000 peak 3969 spectrum 1 weight 0.11000E+01 volume 0.12391E-03 ppm1 2.345 ppm2 1.299 CV 1 ASSI { 3970} (( segid "A " and resid 32 and name HA )) (( segid "A " and resid 32 and name HG )) 3.100 1.200 1.200 peak 3970 spectrum 1 weight 0.11000E+01 volume 0.24807E-02 ppm1 3.861 ppm2 1.509 CV 1 ASSI { 3971} (( segid "A " and resid 32 and name HB2 )) (( segid "A " and resid 31 and name HB2 )) 6.000 5.100 0.000 peak 3971 spectrum 1 weight 0.11000E+01 volume 0.70778E-04 ppm1 1.944 ppm2 2.345 CV 1 ASSI { 3975} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HB1 )) 2.500 0.800 0.800 peak 3975 spectrum 1 weight 0.11000E+01 volume 0.59650E-02 ppm1 3.249 ppm2 2.011 CV 1 ASSI { 3978} (( segid "A " and resid 123 and name HE2 )) (( segid "A " and resid 123 and name HG2 )) 2.700 0.900 0.900 peak 3978 spectrum 1 weight 0.11000E+01 volume 0.64986E-02 ppm1 3.013 ppm2 1.526 CV 1 ASSI { 3979} (( segid "A " and resid 157 and name HA )) ( segid "A " and resid 151 and name HD1%) 3.300 3.300 2.700 peak 3979 spectrum 1 weight 0.11000E+01 volume 0.11885E-03 ppm1 4.291 ppm2 0.853 CV 1 ASSI { 3980} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 41 and name HN )) 5.100 3.200 0.900 peak 3980 spectrum 1 weight 0.11000E+01 volume 0.93754E-04 ppm1 4.351 ppm2 7.937 CV 1 ASSI { 3981} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 3981 spectrum 1 weight 0.11000E+01 volume 0.29588E-02 ppm1 4.354 ppm2 3.750 CV 1 ASSI { 3982} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 41 and name HB1 )) 3.300 1.300 1.300 peak 3982 spectrum 1 weight 0.11000E+01 volume 0.14012E-02 ppm1 4.354 ppm2 3.588 CV 1 ASSI { 3983} (( segid "A " and resid 13 and name HB2 )) (( segid "A " and resid 69 and name HG11)) 5.200 3.400 0.800 peak 3983 spectrum 1 weight 0.11000E+01 volume 0.13037E-03 ppm1 1.910 ppm2 1.111 CV 1 ASSI { 3984} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HB2 )) 1.400 0.200 0.800 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.20419E-01 ppm1 1.398 ppm2 1.553 CV 1 OR { 3984} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 33 and name HD2 )) ASSI { 3985} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 13 and name HB2 )) 2.200 0.600 0.600 peak 3985 spectrum 1 weight 0.11000E+01 volume 0.46127E-02 ppm1 4.129 ppm2 1.925 CV 1 ASSI { 3987} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 18 and name HB2 )) 2.800 1.000 1.000 peak 3987 spectrum 1 weight 0.11000E+01 volume 0.29424E-02 ppm1 3.999 ppm2 2.270 CV 1 ASSI { 3989} (( segid "A " and resid 75 and name HG )) (( segid "A " and resid 74 and name HN )) 5.500 5.500 0.500 peak 3989 spectrum 1 weight 0.11000E+01 volume 0.24666E-03 ppm1 1.633 ppm2 7.702 CV 1 ASSI { 3993} (( segid "A " and resid 16 and name HB1 )) ( segid "A " and resid 15 and name HD1%) 6.000 6.000 0.000 peak 3993 spectrum 1 weight 0.11000E+01 volume 0.10922E-03 ppm1 3.212 ppm2 1.024 CV 1 OR { 3993} (( segid "A " and resid 16 and name HB1 )) ( segid "A " and resid 15 and name HD2%) ASSI { 3994} (( segid "A " and resid 16 and name HB1 )) (( segid "A " and resid 18 and name HN )) 6.000 4.800 0.000 peak 3994 spectrum 1 weight 0.11000E+01 volume 0.82292E-04 ppm1 3.221 ppm2 7.731 CV 1 ASSI { 3997} (( segid "A " and resid 56 and name HB1 )) (( segid "A " and resid 59 and name HA )) 4.100 2.100 1.900 peak 3997 spectrum 1 weight 0.11000E+01 volume 0.10295E-03 ppm1 2.414 ppm2 3.932 CV 1 ASSI { 4000} (( segid "A " and resid 56 and name HB1 )) (( segid "A " and resid 63 and name HG12)) 5.000 3.100 1.000 peak 4000 spectrum 1 weight 0.11000E+01 volume 0.23044E-03 ppm1 2.402 ppm2 1.602 CV 1 ASSI { 4001} (( segid "A " and resid 56 and name HB1 )) ( segid "A " and resid 63 and name HG2%) 6.000 6.000 0.000 peak 4001 spectrum 1 weight 0.11000E+01 volume 0.11069E-03 ppm1 2.394 ppm2 1.271 CV 1 ASSI { 4002} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 43 and name HB2 )) 6.000 5.300 0.000 peak 4002 spectrum 1 weight 0.11000E+01 volume 0.10902E-03 ppm1 4.380 ppm2 1.495 CV 1 ASSI { 4005} (( segid "A " and resid 106 and name HG2 )) (( segid "A " and resid 106 and name HE21)) 4.500 2.600 1.500 peak 4005 spectrum 1 weight 0.11000E+01 volume 0.18660E-03 ppm1 2.542 ppm2 7.834 CV 1 ASSI { 4006} (( segid "A " and resid 137 and name HG2 )) (( segid "A " and resid 137 and name HG1 )) 1.400 0.200 0.800 peak 4006 spectrum 1 weight 0.11000E+01 volume 0.19051E-01 ppm1 2.352 ppm2 2.926 CV 1 ASSI { 4007} (( segid "A " and resid 67 and name HG2 )) (( segid "A " and resid 67 and name HG1 )) 1.400 0.200 0.800 peak 4007 spectrum 1 weight 0.11000E+01 volume 0.22002E-01 ppm1 2.410 ppm2 2.964 CV 1 ASSI { 4011} (( segid "A " and resid 59 and name HG2 )) (( segid "A " and resid 56 and name HB2 )) 6.000 6.000 0.000 peak 4011 spectrum 1 weight 0.11000E+01 volume 0.12239E-03 ppm1 1.381 ppm2 2.963 CV 1 ASSI { 4013} (( segid "A " and resid 144 and name HB2 )) (( segid "A " and resid 144 and name HG2 )) 2.500 0.800 0.800 peak 4013 spectrum 1 weight 0.11000E+01 volume 0.92438E-02 ppm1 1.867 ppm2 1.462 CV 1 ASSI { 4015} (( segid "A " and resid 144 and name HB2 )) (( segid "A " and resid 140 and name HA )) 2.400 2.400 3.600 peak 4015 spectrum 1 weight 0.11000E+01 volume 0.77401E-03 ppm1 1.862 ppm2 4.045 CV 1 ASSI { 4018} (( segid "A " and resid 88 and name HB1 )) (( segid "A " and resid 88 and name HB2 )) 1.800 0.400 0.400 peak 4018 spectrum 1 weight 0.11000E+01 volume 0.52960E-02 ppm1 3.222 ppm2 2.945 CV 1 ASSI { 4019} (( segid "A " and resid 123 and name HA )) (( segid "A " and resid 122 and name HG11)) 3.700 3.700 2.300 peak 4019 spectrum 1 weight 0.11000E+01 volume 0.59045E-04 ppm1 4.116 ppm2 1.063 CV 1 ASSI { 4020} (( segid "A " and resid 35 and name HA2 )) ( segid "A " and resid 39 and name HG1%) 4.300 4.300 1.700 peak 4020 spectrum 1 weight 0.11000E+01 volume 0.38326E-03 ppm1 3.894 ppm2 0.911 CV 1 ASSI { 4022} (( segid "A " and resid 125 and name HG11)) (( segid "A " and resid 126 and name HN )) 6.000 5.000 0.000 peak 4022 spectrum 1 weight 0.11000E+01 volume 0.85914E-04 ppm1 1.660 ppm2 8.172 CV 1 ASSI { 4024} (( segid "A " and resid 38 and name HG2 )) (( segid "A " and resid 38 and name HA )) 3.600 1.600 1.600 peak 4024 spectrum 1 weight 0.11000E+01 volume 0.13139E-02 ppm1 1.655 ppm2 4.121 CV 1 ASSI { 4026} (( segid "A " and resid 38 and name HG2 )) (( segid "A " and resid 39 and name HN )) 5.600 4.000 0.400 peak 4026 spectrum 1 weight 0.11000E+01 volume 0.60325E-04 ppm1 1.658 ppm2 7.505 CV 1 ASSI { 4028} (( segid "A " and resid 38 and name HG1 )) (( segid "A " and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 4028 spectrum 1 weight 0.11000E+01 volume 0.61519E-02 ppm1 1.853 ppm2 2.009 CV 1 ASSI { 4029} (( segid "A " and resid 38 and name HG2 )) (( segid "A " and resid 38 and name HG1 )) 1.700 0.400 0.500 peak 4029 spectrum 1 weight 0.11000E+01 volume 0.69810E-02 ppm1 1.652 ppm2 1.859 CV 1 ASSI { 4031} (( segid "A " and resid 38 and name HG1 )) ( segid "A " and resid 21 and name HG2%) 6.000 5.700 0.000 peak 4031 spectrum 1 weight 0.11000E+01 volume 0.60869E-04 ppm1 1.851 ppm2 1.273 CV 1 ASSI { 4032} (( segid "A " and resid 35 and name HA1 )) (( segid "A " and resid 34 and name HB2 )) 6.000 6.000 0.000 peak 4032 spectrum 1 weight 0.11000E+01 volume 0.64897E-04 ppm1 3.649 ppm2 2.668 CV 1 ASSI { 4034} (( segid "A " and resid 32 and name HA )) (( segid "A " and resid 34 and name HN )) 5.600 3.900 0.400 peak 4034 spectrum 1 weight 0.11000E+01 volume 0.82838E-04 ppm1 3.860 ppm2 7.862 CV 1 ASSI { 4035} (( segid "A " and resid 32 and name HA )) (( segid "A " and resid 29 and name HN )) 6.000 6.000 0.000 peak 4035 spectrum 1 weight 0.11000E+01 volume 0.55534E-04 ppm1 3.868 ppm2 9.407 CV 1 ASSI { 4037} (( segid "A " and resid 32 and name HA )) ( segid "A " and resid 27 and name HD1%) 6.000 4.400 0.000 peak 4037 spectrum 1 weight 0.11000E+01 volume 0.11994E-03 ppm1 3.850 ppm2 0.110 CV 1 ASSI { 4038} (( segid "A " and resid 33 and name HB1 )) (( segid "A " and resid 32 and name HB2 )) 4.200 2.200 1.800 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 1.386 ppm2 1.950 CV 1 ASSI { 4040} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 27 and name HG12)) 6.000 6.000 0.000 peak 4040 spectrum 1 weight 0.11000E+01 volume 0.71975E-04 ppm1 2.037 ppm2 0.398 CV 1 ASSI { 4041} ( segid "A " and resid 52 and name HE% ) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 4041 spectrum 1 weight 0.11000E+01 volume 0.90704E-04 ppm1 2.034 ppm2 0.134 CV 1 ASSI { 4042} (( segid "A " and resid 68 and name HB1 )) ( segid "A " and resid 69 and name HD1%) 6.000 5.500 0.000 peak 4042 spectrum 1 weight 0.11000E+01 volume 0.72030E-04 ppm1 3.273 ppm2 0.714 CV 1 OR { 4042} (( segid "A " and resid 68 and name HB1 )) ( segid "A " and resid 69 and name HG2%) ASSI { 4043} (( segid "A " and resid 68 and name HB1 )) (( segid "A " and resid 67 and name HB2 )) 6.000 5.200 0.000 peak 4043 spectrum 1 weight 0.11000E+01 volume 0.57466E-04 ppm1 3.267 ppm2 2.561 CV 1 ASSI { 4044} (( segid "A " and resid 141 and name HB2 )) (( segid "A " and resid 141 and name HG1 )) 2.400 0.700 0.700 peak 4044 spectrum 1 weight 0.11000E+01 volume 0.88011E-02 ppm1 2.167 ppm2 2.398 CV 1 ASSI { 4045} (( segid "A " and resid 141 and name HB2 )) (( segid "A " and resid 141 and name HB1 )) 1.800 0.400 0.400 peak 4045 spectrum 1 weight 0.11000E+01 volume 0.63352E-02 ppm1 2.174 ppm2 2.015 CV 1 ASSI { 4047} (( segid "A " and resid 141 and name HB2 )) ( segid "A " and resid 141 and name HE% ) 3.600 1.600 1.600 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.82045E-03 ppm1 2.163 ppm2 1.657 CV 1 ASSI { 4048} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 50 and name HA )) 5.000 3.100 1.000 peak 4048 spectrum 1 weight 0.11000E+01 volume 0.65273E-03 ppm1 2.033 ppm2 4.409 CV 1 ASSI { 4049} (( segid "A " and resid 108 and name HB1 )) (( segid "A " and resid 105 and name HN )) 6.000 5.100 0.000 peak 4049 spectrum 1 weight 0.11000E+01 volume 0.12179E-03 ppm1 2.873 ppm2 8.429 CV 1 ASSI { 4051} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 16 and name HB2 )) 6.000 6.000 0.000 peak 4051 spectrum 1 weight 0.11000E+01 volume 0.96067E-04 ppm1 1.910 ppm2 2.746 CV 1 ASSI { 4053} (( segid "A " and resid 137 and name HG2 )) ( segid "A " and resid 125 and name HG2%) 5.800 5.800 0.200 peak 4053 spectrum 1 weight 0.11000E+01 volume 0.13900E-03 ppm1 2.351 ppm2 0.962 CV 1 ASSI { 4054} (( segid "A " and resid 45 and name HB2 )) (( segid "A " and resid 29 and name HZ )) 6.000 6.000 0.000 peak 4054 spectrum 1 weight 0.11000E+01 volume 0.12176E-03 ppm1 2.160 ppm2 7.253 CV 1 OR { 4054} (( segid "A " and resid 45 and name HB2 )) ( segid "A " and resid 29 and name HE% ) ASSI { 4055} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 33 and name HG2 )) 5.100 3.300 0.900 peak 4055 spectrum 1 weight 0.11000E+01 volume 0.27307E-03 ppm1 3.878 ppm2 1.226 CV 1 ASSI { 4056} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 47 and name HN )) 3.900 1.900 1.900 peak 4056 spectrum 1 weight 0.11000E+01 volume 0.57532E-03 ppm1 3.879 ppm2 7.076 CV 1 ASSI { 4057} (( segid "A " and resid 45 and name HB1 )) (( segid "A " and resid 46 and name HA )) 6.000 5.100 0.000 peak 4057 spectrum 1 weight 0.11000E+01 volume 0.43148E-04 ppm1 2.243 ppm2 4.130 CV 1 ASSI { 4059} (( segid "A " and resid 45 and name HB1 )) (( segid "A " and resid 45 and name HG2 )) 2.100 0.600 0.600 peak 4059 spectrum 1 weight 0.11000E+01 volume 0.98980E-02 ppm1 2.240 ppm2 2.374 CV 1 ASSI { 4062} (( segid "A " and resid 44 and name HG2 )) (( segid "A " and resid 43 and name HB2 )) 6.000 6.000 0.000 peak 4062 spectrum 1 weight 0.11000E+01 volume 0.73119E-04 ppm1 2.833 ppm2 1.579 CV 1 ASSI { 4063} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 33 and name HA )) 3.200 3.200 2.800 peak 4063 spectrum 1 weight 0.11000E+01 volume 0.13516E-03 ppm1 0.813 ppm2 3.767 CV 1 ASSI { 4064} ( segid "A " and resid 51 and name HD1%) ( segid "A " and resid 71 and name HB% ) 3.600 1.600 1.600 peak 4064 spectrum 1 weight 0.11000E+01 volume 0.89305E-03 ppm1 0.839 ppm2 1.432 CV 1 ASSI { 4065} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 52 and name HN )) 6.000 6.000 0.000 peak 4065 spectrum 1 weight 0.11000E+01 volume 0.99143E-04 ppm1 0.833 ppm2 8.362 CV 1 ASSI { 4066} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 55 and name HN )) 6.000 6.000 0.000 peak 4066 spectrum 1 weight 0.11000E+01 volume 0.73255E-04 ppm1 0.840 ppm2 8.142 CV 1 ASSI { 4069} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 12 and name HB1 )) 4.200 2.200 1.800 peak 4069 spectrum 1 weight 0.11000E+01 volume 0.59251E-03 ppm1 3.991 ppm2 2.114 CV 1 ASSI { 4070} (( segid "A " and resid 9 and name HG11)) (( segid "A " and resid 9 and name HG12)) 1.700 0.300 0.500 peak 4070 spectrum 1 weight 0.11000E+01 volume 0.12943E-01 ppm1 1.189 ppm2 1.599 CV 1 ASSI { 4073} (( segid "A " and resid 9 and name HG12)) (( segid "A " and resid 9 and name HN )) 4.700 2.800 1.300 peak 4073 spectrum 1 weight 0.11000E+01 volume 0.38078E-03 ppm1 1.597 ppm2 8.141 CV 1 ASSI { 4080} ( segid "A " and resid 9 and name HG2%) (( segid "A " and resid 9 and name HG12)) 3.500 1.500 1.500 peak 4080 spectrum 1 weight 0.11000E+01 volume 0.11400E-02 ppm1 0.975 ppm2 1.607 CV 1 ASSI { 4081} (( segid "A " and resid 9 and name HB )) (( segid "A " and resid 9 and name HG12)) 3.200 1.300 1.300 peak 4081 spectrum 1 weight 0.11000E+01 volume 0.16211E-02 ppm1 1.968 ppm2 1.604 CV 1 ASSI { 4083} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 35 and name HA2 )) 5.300 3.500 0.700 peak 4083 spectrum 1 weight 0.11000E+01 volume 0.14956E-03 ppm1 2.590 ppm2 3.873 CV 1 ASSI { 4085} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 37 and name HN )) 6.000 6.000 0.000 peak 4085 spectrum 1 weight 0.11000E+01 volume 0.54798E-04 ppm1 2.592 ppm2 7.513 CV 1 ASSI { 4091} (( segid "A " and resid 34 and name HB1 )) (( segid "A " and resid 33 and name HG2 )) 6.000 6.000 0.000 peak 4091 spectrum 1 weight 0.11000E+01 volume 0.39118E-04 ppm1 2.580 ppm2 1.227 CV 1 ASSI { 4097} ( segid "A " and resid 113 and name HD2%) (( segid "A " and resid 113 and name HB1 )) 2.700 0.900 0.900 peak 4097 spectrum 1 weight 0.11000E+01 volume 0.59633E-02 ppm1 0.732 ppm2 1.558 CV 1 ASSI { 4098} ( segid "A " and resid 113 and name HD2%) (( segid "A " and resid 113 and name HB2 )) 3.200 1.300 1.300 peak 4098 spectrum 1 weight 0.11000E+01 volume 0.24712E-02 ppm1 0.724 ppm2 1.680 CV 1 ASSI { 4101} (( segid "A " and resid 122 and name HB )) (( segid "A " and resid 119 and name HB2 )) 3.200 3.200 2.800 peak 4101 spectrum 1 weight 0.11000E+01 volume 0.12422E-03 ppm1 1.997 ppm2 2.697 CV 1 ASSI { 4104} (( segid "A " and resid 126 and name HB2 )) (( segid "A " and resid 127 and name HN )) 6.000 5.100 0.000 peak 4104 spectrum 1 weight 0.11000E+01 volume 0.10630E-03 ppm1 2.902 ppm2 8.660 CV 1 ASSI { 4105} (( segid "A " and resid 126 and name HB1 )) (( segid "A " and resid 127 and name HN )) 6.000 5.500 0.000 peak 4105 spectrum 1 weight 0.11000E+01 volume 0.95414E-04 ppm1 2.504 ppm2 8.601 CV 1 ASSI { 4110} ( segid "A " and resid 107 and name HB% ) ( segid "A " and resid 91 and name HD% ) 4.800 2.900 1.200 peak 4110 spectrum 1 weight 0.11000E+01 volume 0.14022E-03 ppm1 1.397 ppm2 7.263 CV 1 ASSI { 4111} (( segid "A " and resid 132 and name HG2 )) (( segid "A " and resid 129 and name HD22)) 5.700 4.000 0.300 peak 4111 spectrum 1 weight 0.11000E+01 volume 0.88962E-04 ppm1 2.044 ppm2 7.440 CV 1 ASSI { 4114} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 143 and name HB1 )) 2.400 0.700 0.700 peak 4114 spectrum 1 weight 0.11000E+01 volume 0.86179E-02 ppm1 4.250 ppm2 1.902 CV 1 ASSI { 4115} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 143 and name HB2 )) 2.300 0.700 0.700 peak 4115 spectrum 1 weight 0.11000E+01 volume 0.10131E-01 ppm1 4.249 ppm2 1.796 CV 1 ASSI { 4118} (( segid "A " and resid 72 and name HB )) (( segid "A " and resid 69 and name HA )) 5.900 4.400 0.100 peak 4118 spectrum 1 weight 0.11000E+01 volume 0.87083E-04 ppm1 4.064 ppm2 3.611 CV 1 ASSI { 4121} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 76 and name HB1 )) 3.800 1.800 1.800 peak 4121 spectrum 1 weight 0.11000E+01 volume 0.21742E-03 ppm1 3.856 ppm2 2.653 CV 1 ASSI { 4122} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 121 and name HG2 )) 5.800 4.300 0.200 peak 4122 spectrum 1 weight 0.11000E+01 volume 0.12253E-03 ppm1 3.846 ppm2 2.425 CV 1 ASSI { 4124} (( segid "A " and resid 12 and name HA )) (( segid "A " and resid 18 and name HB1 )) 6.000 6.000 0.000 peak 4124 spectrum 1 weight 0.11000E+01 volume 0.18418E-03 ppm1 4.391 ppm2 2.197 CV 1 ASSI { 4125} (( segid "A " and resid 12 and name HB2 )) (( segid "A " and resid 12 and name HA )) 3.600 1.700 1.700 peak 4125 spectrum 1 weight 0.11000E+01 volume 0.33217E-03 ppm1 1.665 ppm2 4.376 CV 1 ASSI { 4126} (( segid "A " and resid 12 and name HB2 )) (( segid "A " and resid 10 and name HA2 )) 5.400 3.700 0.600 peak 4126 spectrum 1 weight 0.11000E+01 volume 0.96530E-04 ppm1 1.665 ppm2 4.014 CV 1 ASSI { 4127} (( segid "A " and resid 12 and name HA )) ( segid "A " and resid 12 and name HD2%) 4.300 2.300 1.700 peak 4127 spectrum 1 weight 0.11000E+01 volume 0.15229E-02 ppm1 4.374 ppm2 1.043 CV 1 ASSI { 4129} ( segid "A " and resid 107 and name HB% ) (( segid "A " and resid 108 and name HB2 )) 6.000 6.000 0.000 peak 4129 spectrum 1 weight 0.11000E+01 volume 0.42956E-04 ppm1 1.393 ppm2 3.402 CV 1 ASSI { 4133} (( segid "A " and resid 52 and name HG2 )) ( segid "A " and resid 48 and name HG2%) 5.500 3.700 0.500 peak 4133 spectrum 1 weight 0.11000E+01 volume 0.57057E-04 ppm1 2.532 ppm2 0.779 CV 1 ASSI { 4135} (( segid "A " and resid 52 and name HG1 )) (( segid "A " and resid 63 and name HG11)) 6.000 5.100 0.000 peak 4135 spectrum 1 weight 0.11000E+01 volume 0.53274E-04 ppm1 2.790 ppm2 1.079 CV 1 ASSI { 4136} (( segid "A " and resid 52 and name HG1 )) (( segid "A " and resid 63 and name HG12)) 6.000 5.200 0.000 peak 4136 spectrum 1 weight 0.11000E+01 volume 0.11251E-03 ppm1 2.790 ppm2 1.557 CV 1 ASSI { 4137} (( segid "A " and resid 52 and name HG2 )) (( segid "A " and resid 63 and name HG12)) 6.000 5.600 0.000 peak 4137 spectrum 1 weight 0.11000E+01 volume 0.97918E-04 ppm1 2.511 ppm2 1.612 CV 1 ASSI { 4139} (( segid "A " and resid 52 and name HG2 )) ( segid "A " and resid 29 and name HD% ) 5.900 4.400 0.100 peak 4139 spectrum 1 weight 0.11000E+01 volume 0.43148E-04 ppm1 2.538 ppm2 7.292 CV 1 ASSI { 4142} (( segid "A " and resid 42 and name HB1 )) (( segid "A " and resid 42 and name HB2 )) 1.500 0.300 0.700 peak 4142 spectrum 1 weight 0.11000E+01 volume 0.42731E-01 ppm1 1.884 ppm2 2.238 CV 1 OR { 4142} (( segid "A " and resid 42 and name HB1 )) (( segid "A " and resid 42 and name HG2 )) ASSI { 4143} (( segid "A " and resid 42 and name HB1 )) (( segid "A " and resid 37 and name HA )) 6.000 6.000 0.000 peak 4143 spectrum 1 weight 0.11000E+01 volume 0.41405E-04 ppm1 1.881 ppm2 4.183 CV 1 ASSI { 4145} (( segid "A " and resid 42 and name HB1 )) (( segid "A " and resid 43 and name HN )) 5.700 4.100 0.300 peak 4145 spectrum 1 weight 0.11000E+01 volume 0.20194E-03 ppm1 1.875 ppm2 7.839 CV 1 ASSI { 4146} (( segid "A " and resid 45 and name HB1 )) ( segid "A " and resid 48 and name HD1%) 6.000 5.800 0.000 peak 4146 spectrum 1 weight 0.11000E+01 volume 0.11281E-03 ppm1 2.229 ppm2 0.764 CV 1 OR { 4146} (( segid "A " and resid 45 and name HB1 )) (( segid "A " and resid 48 and name HG11)) ASSI { 4147} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 47 and name HB2 )) 5.600 3.900 0.400 peak 4147 spectrum 1 weight 0.11000E+01 volume 0.19164E-03 ppm1 4.308 ppm2 2.511 CV 1 ASSI { 4148} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 44 and name HG1 )) 5.100 3.200 0.900 peak 4148 spectrum 1 weight 0.11000E+01 volume 0.40452E-03 ppm1 4.298 ppm2 2.698 CV 1 ASSI { 4149} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 44 and name HG2 )) 5.800 4.200 0.200 peak 4149 spectrum 1 weight 0.11000E+01 volume 0.99469E-04 ppm1 4.294 ppm2 2.841 CV 1 ASSI { 4150} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 87 and name HN )) 3.500 1.500 1.500 peak 4150 spectrum 1 weight 0.11000E+01 volume 0.85339E-03 ppm1 4.286 ppm2 8.058 CV 1 ASSI { 4152} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 126 and name HB2 )) 5.900 4.400 0.100 peak 4152 spectrum 1 weight 0.11000E+01 volume 0.11085E-03 ppm1 3.585 ppm2 2.900 CV 1 ASSI { 4153} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 125 and name HG12)) 4.600 2.600 1.400 peak 4153 spectrum 1 weight 0.11000E+01 volume 0.76797E-03 ppm1 3.569 ppm2 1.159 CV 1 ASSI { 4154} (( segid "A " and resid 99 and name HB )) (( segid "A " and resid 103 and name HB2 )) 5.900 4.300 0.100 peak 4154 spectrum 1 weight 0.11000E+01 volume 0.94761E-04 ppm1 1.706 ppm2 2.578 CV 1 ASSI { 4156} (( segid "A " and resid 31 and name HG1 )) (( segid "A " and resid 21 and name HN )) 5.700 4.100 0.300 peak 4156 spectrum 1 weight 0.11000E+01 volume 0.13478E-03 ppm1 2.486 ppm2 8.067 CV 1 ASSI { 4157} (( segid "A " and resid 31 and name HG1 )) (( segid "A " and resid 32 and name HN )) 6.000 5.800 0.000 peak 4157 spectrum 1 weight 0.11000E+01 volume 0.72493E-04 ppm1 2.493 ppm2 8.610 CV 1 ASSI { 4158} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 28 and name HN )) 4.400 2.400 1.600 peak 4158 spectrum 1 weight 0.11000E+01 volume 0.10922E-02 ppm1 2.410 ppm2 8.732 CV 1 ASSI { 4159} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 32 and name HN )) 4.600 2.600 1.400 peak 4159 spectrum 1 weight 0.11000E+01 volume 0.53132E-03 ppm1 2.403 ppm2 8.615 CV 1 ASSI { 4161} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 26 and name HA )) 6.000 6.000 0.000 peak 4161 spectrum 1 weight 0.11000E+01 volume 0.19518E-04 ppm1 1.264 ppm2 4.988 CV 1 ASSI { 4162} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HG1 )) 5.100 3.200 0.900 peak 4162 spectrum 1 weight 0.11000E+01 volume 0.18525E-03 ppm1 0.897 ppm2 2.304 CV 1 ASSI { 4163} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 122 and name HB )) 5.300 5.300 0.700 peak 4163 spectrum 1 weight 0.11000E+01 volume 0.58237E-03 ppm1 0.900 ppm2 2.068 CV 1 ASSI { 4165} (( segid "A " and resid 106 and name HG2 )) ( segid "A " and resid 107 and name HB% ) 6.000 6.000 0.000 peak 4165 spectrum 1 weight 0.11000E+01 volume 0.12952E-03 ppm1 2.527 ppm2 1.422 CV 1 ASSI { 4168} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 74 and name HN )) 4.200 2.200 1.800 peak 4168 spectrum 1 weight 0.11000E+01 volume 0.43196E-03 ppm1 1.937 ppm2 7.705 CV 1 ASSI { 4170} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 105 and name HG2 )) 6.000 4.700 0.000 peak 4170 spectrum 1 weight 0.11000E+01 volume 0.38655E-04 ppm1 0.836 ppm2 2.524 CV 1 ASSI { 4171} ( segid "A " and resid 104 and name HG2%) (( segid "A " and resid 108 and name HB2 )) 6.000 6.000 0.000 peak 4171 spectrum 1 weight 0.11000E+01 volume 0.62121E-04 ppm1 0.838 ppm2 3.411 CV 1 ASSI { 4178} (( segid "A " and resid 35 and name HA1 )) (( segid "A " and resid 37 and name HN )) 6.000 6.000 0.000 peak 4178 spectrum 1 weight 0.11000E+01 volume 0.18728E-04 ppm1 3.651 ppm2 7.486 CV 1 ASSI { 4179} ( segid "A " and resid 19 and name HG2%) (( segid "A " and resid 16 and name HA )) 6.000 6.000 0.000 peak 4179 spectrum 1 weight 0.11000E+01 volume 0.63591E-04 ppm1 0.799 ppm2 3.110 CV 1 ASSI { 4180} (( segid "A " and resid 118 and name HG12)) (( segid "A " and resid 117 and name HB1 )) 5.400 3.600 0.600 peak 4180 spectrum 1 weight 0.11000E+01 volume 0.94025E-04 ppm1 1.061 ppm2 2.693 CV 1 ASSI { 4181} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 16 and name HA )) 5.100 3.300 0.900 peak 4181 spectrum 1 weight 0.11000E+01 volume 0.43854E-04 ppm1 0.729 ppm2 3.116 CV 1 ASSI { 4182} (( segid "A " and resid 19 and name HG11)) (( segid "A " and resid 18 and name HN )) 5.100 3.300 0.900 peak 4182 spectrum 1 weight 0.11000E+01 volume 0.33636E-03 ppm1 0.725 ppm2 7.728 CV 1 ASSI { 4185} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 36 and name HG )) 3.500 1.500 1.500 peak 4185 spectrum 1 weight 0.11000E+01 volume 0.55357E-03 ppm1 0.793 ppm2 1.878 CV 1 OR { 4185} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 36 and name HB2 )) ASSI { 4186} (( segid "A " and resid 47 and name HG2 )) (( segid "A " and resid 48 and name HN )) 4.300 2.300 1.700 peak 4186 spectrum 1 weight 0.11000E+01 volume 0.96129E-03 ppm1 2.314 ppm2 8.164 CV 1 ASSI { 4187} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 19 and name HN )) 4.600 2.600 1.400 peak 4187 spectrum 1 weight 0.11000E+01 volume 0.15073E-03 ppm1 3.110 ppm2 7.464 CV 1 ASSI { 4191} (( segid "A " and resid 12 and name HA )) (( segid "A " and resid 12 and name HB2 )) 2.600 0.900 0.900 peak 4191 spectrum 1 weight 0.11000E+01 volume 0.26937E-02 ppm1 4.365 ppm2 1.677 CV 1 OR { 4191} (( segid "A " and resid 12 and name HA )) (( segid "A " and resid 12 and name HG )) ASSI { 4196} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 69 and name HB )) 5.300 3.600 0.700 peak 4196 spectrum 1 weight 0.11000E+01 volume 0.14822E-03 ppm1 4.199 ppm2 1.849 CV 1 ASSI { 4201} ( segid "A " and resid 15 and name HD2%) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 4201 spectrum 1 weight 0.11000E+01 volume 0.14490E-03 ppm1 1.040 ppm2 0.107 CV 1 ASSI { 4203} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 35 and name HA2 )) 5.100 5.100 0.900 peak 4203 spectrum 1 weight 0.11000E+01 volume 0.36467E-03 ppm1 0.789 ppm2 3.846 CV 1 ASSI { 4206} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 37 and name HB2 )) 6.000 6.000 0.000 peak 4206 spectrum 1 weight 0.11000E+01 volume 0.91793E-04 ppm1 0.780 ppm2 2.031 CV 1 OR { 4206} ( segid "A " and resid 36 and name HD1%) (( segid "A " and resid 37 and name HB1 )) ASSI { 4207} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 36 and name HG )) 2.200 0.600 0.600 peak 4207 spectrum 1 weight 0.11000E+01 volume 0.11342E-01 ppm1 0.785 ppm2 1.861 CV 1 OR { 4207} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 36 and name HB2 )) ASSI { 4208} ( segid "A " and resid 36 and name HD2%) (( segid "A " and resid 39 and name HB )) 6.000 6.000 0.000 peak 4208 spectrum 1 weight 0.11000E+01 volume 0.33864E-04 ppm1 0.799 ppm2 2.494 CV 1 ASSI { 4210} (( segid "A " and resid 36 and name HB1 )) ( segid "A " and resid 39 and name HG2%) 6.000 5.100 0.000 peak 4210 spectrum 1 weight 0.11000E+01 volume 0.10140E-03 ppm1 1.480 ppm2 1.043 CV 1 ASSI { 4211} (( segid "A " and resid 49 and name HB1 )) (( segid "A " and resid 46 and name HA )) 2.800 1.000 1.000 peak 4211 spectrum 1 weight 0.11000E+01 volume 0.13611E-02 ppm1 1.875 ppm2 4.130 CV 1 ASSI { 4213} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 29 and name HZ )) 5.400 5.400 0.600 peak 4213 spectrum 1 weight 0.11000E+01 volume 0.10440E-03 ppm1 2.036 ppm2 7.177 CV 1 ASSI { 4214} (( segid "A " and resid 49 and name HB2 )) ( segid "A " and resid 49 and name HZ% ) 5.600 3.900 0.400 peak 4214 spectrum 1 weight 0.11000E+01 volume 0.13445E-03 ppm1 2.022 ppm2 7.263 CV 1 ASSI { 4215} (( segid "A " and resid 141 and name HB1 )) (( segid "A " and resid 125 and name HG12)) 6.000 4.600 0.000 peak 4215 spectrum 1 weight 0.11000E+01 volume 0.60596E-04 ppm1 2.013 ppm2 1.149 CV 1 ASSI { 4219} (( segid "A " and resid 132 and name HB2 )) ( segid "A " and resid 125 and name HG2%) 4.000 2.000 2.000 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.95295E-03 ppm1 1.838 ppm2 0.934 CV 1 OR { 4219} (( segid "A " and resid 132 and name HB1 )) ( segid "A " and resid 125 and name HG2%) ASSI { 4221} (( segid "A " and resid 37 and name HG2 )) (( segid "A " and resid 37 and name HA )) 3.500 1.500 1.500 peak 4221 spectrum 1 weight 0.11000E+01 volume 0.23819E-02 ppm1 1.481 ppm2 4.142 CV 1 ASSI { 4222} (( segid "A " and resid 37 and name HG1 )) (( segid "A " and resid 33 and name HA )) 6.000 6.000 0.000 peak 4222 spectrum 1 weight 0.11000E+01 volume 0.52212E-04 ppm1 1.565 ppm2 3.811 CV 1 ASSI { 4223} (( segid "A " and resid 37 and name HG2 )) (( segid "A " and resid 33 and name HA )) 6.000 4.900 0.000 peak 4223 spectrum 1 weight 0.11000E+01 volume 0.60923E-04 ppm1 1.478 ppm2 3.784 CV 1 ASSI { 4224} (( segid "A " and resid 43 and name HB2 )) (( segid "A " and resid 47 and name HG2 )) 6.000 6.000 0.000 peak 4224 spectrum 1 weight 0.11000E+01 volume 0.63073E-04 ppm1 1.526 ppm2 2.301 CV 1 ASSI { 4225} (( segid "A " and resid 43 and name HB1 )) (( segid "A " and resid 47 and name HG2 )) 6.000 4.700 0.000 peak 4225 spectrum 1 weight 0.11000E+01 volume 0.99388E-04 ppm1 1.410 ppm2 2.309 CV 1 ASSI { 4226} (( segid "A " and resid 43 and name HB2 )) (( segid "A " and resid 47 and name HB1 )) 6.000 5.000 0.000 peak 4226 spectrum 1 weight 0.11000E+01 volume 0.13867E-03 ppm1 1.521 ppm2 2.076 CV 1 ASSI { 4233} (( segid "A " and resid 119 and name HB2 )) (( segid "A " and resid 118 and name HN )) 6.000 5.200 0.000 peak 4233 spectrum 1 weight 0.11000E+01 volume 0.10418E-03 ppm1 2.691 ppm2 8.185 CV 1 ASSI { 4234} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 53 and name HB2 )) 5.800 4.300 0.200 peak 4234 spectrum 1 weight 0.11000E+01 volume 0.15713E-03 ppm1 4.075 ppm2 2.627 CV 1 ASSI { 4235} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 53 and name HB1 )) 6.000 5.600 0.000 peak 4235 spectrum 1 weight 0.11000E+01 volume 0.38845E-04 ppm1 4.084 ppm2 2.764 CV 1 ASSI { 4239} ( segid "A " and resid 55 and name HB% ) (( segid "A " and resid 67 and name HA )) 5.900 5.900 0.100 peak 4239 spectrum 1 weight 0.11000E+01 volume 0.10393E-03 ppm1 1.337 ppm2 4.188 CV 1 ASSI { 4240} (( segid "A " and resid 55 and name HA )) (( segid "A " and resid 56 and name HB1 )) 6.000 5.800 0.000 peak 4240 spectrum 1 weight 0.11000E+01 volume 0.12010E-03 ppm1 4.379 ppm2 2.410 CV 1 ASSI { 4241} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 56 and name HA )) 4.500 2.500 1.500 peak 4241 spectrum 1 weight 0.11000E+01 volume 0.66367E-04 ppm1 3.018 ppm2 4.740 CV 1 ASSI { 4243} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 59 and name HN )) 6.000 5.500 0.000 peak 4243 spectrum 1 weight 0.11000E+01 volume 0.85233E-04 ppm1 3.025 ppm2 7.824 CV 1 ASSI { 4244} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 60 and name HN )) 6.000 5.900 0.000 peak 4244 spectrum 1 weight 0.11000E+01 volume 0.86866E-04 ppm1 3.031 ppm2 8.803 CV 1 ASSI { 4246} (( segid "A " and resid 57 and name HB )) (( segid "A " and resid 67 and name HG1 )) 4.800 2.800 1.200 peak 4246 spectrum 1 weight 0.11000E+01 volume 0.47364E-03 ppm1 2.034 ppm2 2.951 CV 1 ASSI { 4247} (( segid "A " and resid 57 and name HB )) (( segid "A " and resid 67 and name HG2 )) 3.100 1.200 1.200 peak 4247 spectrum 1 weight 0.11000E+01 volume 0.62510E-03 ppm1 2.032 ppm2 2.409 CV 1 ASSI { 4248} (( segid "A " and resid 15 and name HG )) (( segid "A " and resid 18 and name HN )) 4.300 4.300 1.700 peak 4248 spectrum 1 weight 0.11000E+01 volume 0.86564E-03 ppm1 1.750 ppm2 7.730 CV 1 ASSI { 4249} (( segid "A " and resid 57 and name HG12)) (( segid "A " and resid 55 and name HA )) 5.700 4.000 0.300 peak 4249 spectrum 1 weight 0.11000E+01 volume 0.85532E-04 ppm1 1.440 ppm2 4.363 CV 1 ASSI { 4251} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 56 and name HB2 )) 4.400 2.400 1.600 peak 4251 spectrum 1 weight 0.11000E+01 volume 0.10109E-02 ppm1 1.978 ppm2 3.010 CV 1 ASSI { 4252} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 59 and name HG1 )) 2.000 0.500 0.500 peak 4252 spectrum 1 weight 0.11000E+01 volume 0.12409E-01 ppm1 1.968 ppm2 1.449 CV 1 ASSI { 4253} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 59 and name HG2 )) 2.200 0.600 0.600 peak 4253 spectrum 1 weight 0.11000E+01 volume 0.94846E-02 ppm1 1.968 ppm2 1.357 CV 1 ASSI { 4256} (( segid "A " and resid 59 and name HG1 )) (( segid "A " and resid 53 and name HN )) 5.100 5.100 0.900 peak 4256 spectrum 1 weight 0.11000E+01 volume 0.85451E-04 ppm1 1.449 ppm2 8.295 CV 1 ASSI { 4257} (( segid "A " and resid 59 and name HG1 )) (( segid "A " and resid 60 and name HN )) 6.000 5.800 0.000 peak 4257 spectrum 1 weight 0.11000E+01 volume 0.76141E-04 ppm1 1.457 ppm2 8.821 CV 1 ASSI { 4262} (( segid "A " and resid 59 and name HD1 )) (( segid "A " and resid 59 and name HG2 )) 2.800 1.000 1.000 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 1.766 ppm2 1.353 CV 1 ASSI { 4264} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 28 and name HB )) 3.400 3.400 2.600 peak 4264 spectrum 1 weight 0.11000E+01 volume 0.91603E-04 ppm1 1.091 ppm2 4.707 CV 1 ASSI { 4265} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 29 and name HN )) 3.500 3.500 2.500 peak 4265 spectrum 1 weight 0.11000E+01 volume 0.79489E-04 ppm1 1.091 ppm2 9.400 CV 1 ASSI { 4266} ( segid "A " and resid 62 and name HG2%) (( segid "A " and resid 27 and name HG12)) 6.000 6.000 0.000 peak 4266 spectrum 1 weight 0.11000E+01 volume 0.38410E-04 ppm1 1.085 ppm2 0.354 CV 1 ASSI { 4268} ( segid "A " and resid 63 and name HD1%) ( segid "A " and resid 68 and name HD% ) 4.300 2.300 1.700 peak 4268 spectrum 1 weight 0.11000E+01 volume 0.55059E-03 ppm1 0.937 ppm2 7.027 CV 1 OR { 4268} ( segid "A " and resid 63 and name HD1%) ( segid "A " and resid 68 and name HE% ) ASSI { 4269} ( segid "A " and resid 63 and name HD1%) (( segid "A " and resid 52 and name HG1 )) 3.500 3.500 2.500 peak 4269 spectrum 1 weight 0.11000E+01 volume 0.75651E-04 ppm1 0.935 ppm2 2.778 CV 1 ASSI { 4270} ( segid "A " and resid 63 and name HD1%) ( segid "A " and resid 27 and name HD1%) 4.200 2.200 1.800 peak 4270 spectrum 1 weight 0.11000E+01 volume 0.46455E-03 ppm1 0.930 ppm2 0.108 CV 1 ASSI { 4273} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 31 and name HA )) 5.200 5.200 0.800 peak 4273 spectrum 1 weight 0.11000E+01 volume 0.23473E-03 ppm1 0.857 ppm2 4.101 CV 1 ASSI { 4275} (( segid "A " and resid 124 and name HA )) (( segid "A " and resid 123 and name HB2 )) 4.700 2.700 1.300 peak 4275 spectrum 1 weight 0.11000E+01 volume 0.30234E-03 ppm1 4.151 ppm2 1.931 CV 1 ASSI { 4278} (( segid "A " and resid 124 and name HG2 )) (( segid "A " and resid 121 and name HN )) 3.100 3.100 2.900 peak 4278 spectrum 1 weight 0.11000E+01 volume 0.17553E-03 ppm1 2.353 ppm2 7.949 CV 1 ASSI { 4279} (( segid "A " and resid 124 and name HG2 )) ( segid "A " and resid 125 and name HG2%) 4.300 4.300 1.700 peak 4279 spectrum 1 weight 0.11000E+01 volume 0.15028E-02 ppm1 2.344 ppm2 0.908 CV 1 ASSI { 4280} (( segid "A " and resid 124 and name HG1 )) ( segid "A " and resid 125 and name HG2%) 4.200 4.200 1.800 peak 4280 spectrum 1 weight 0.11000E+01 volume 0.15363E-02 ppm1 2.291 ppm2 0.908 CV 1 ASSI { 4281} (( segid "A " and resid 124 and name HG2 )) (( segid "A " and resid 125 and name HG12)) 5.700 4.100 0.300 peak 4281 spectrum 1 weight 0.11000E+01 volume 0.65524E-04 ppm1 2.348 ppm2 1.182 CV 1 ASSI { 4282} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 124 and name HG1 )) 5.700 4.100 0.300 peak 4282 spectrum 1 weight 0.11000E+01 volume 0.77938E-04 ppm1 4.109 ppm2 2.320 CV 1 OR { 4282} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 124 and name HG2 )) ASSI { 4283} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 124 and name HB2 )) 6.000 5.900 0.000 peak 4283 spectrum 1 weight 0.11000E+01 volume 0.85722E-04 ppm1 4.109 ppm2 2.139 CV 1 ASSI { 4284} (( segid "A " and resid 125 and name HB )) (( segid "A " and resid 126 and name HB2 )) 6.000 5.600 0.000 peak 4284 spectrum 1 weight 0.11000E+01 volume 0.44182E-04 ppm1 1.820 ppm2 2.890 CV 1 ASSI { 4285} (( segid "A " and resid 125 and name HB )) (( segid "A " and resid 125 and name HG11)) 2.600 0.800 0.800 peak 4285 spectrum 1 weight 0.11000E+01 volume 0.20262E-02 ppm1 1.813 ppm2 1.667 CV 1 ASSI { 4286} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 138 and name HB2 )) 6.000 6.000 0.000 peak 4286 spectrum 1 weight 0.11000E+01 volume 0.78699E-04 ppm1 0.928 ppm2 3.373 CV 1 ASSI { 4288} (( segid "A " and resid 125 and name HG12)) (( segid "A " and resid 123 and name HN )) 6.000 6.000 0.000 peak 4288 spectrum 1 weight 0.11000E+01 volume 0.57221E-04 ppm1 1.176 ppm2 7.709 CV 1 ASSI { 4294} (( segid "A " and resid 19 and name HA )) (( segid "A " and resid 18 and name HB1 )) 5.100 3.200 0.900 peak 4294 spectrum 1 weight 0.11000E+01 volume 0.66830E-04 ppm1 3.762 ppm2 2.163 CV 1 ASSI { 4296} (( segid "A " and resid 19 and name HB )) (( segid "A " and resid 68 and name HZ )) 6.000 6.000 0.000 peak 4296 spectrum 1 weight 0.11000E+01 volume 0.92719E-04 ppm1 1.464 ppm2 7.158 CV 1 ASSI { 4299} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 68 and name HB1 )) 6.000 6.000 0.000 peak 4299 spectrum 1 weight 0.11000E+01 volume 0.43910E-04 ppm1 0.675 ppm2 3.315 CV 1 ASSI { 4302} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 35 and name HN )) 6.000 5.000 0.000 peak 4302 spectrum 1 weight 0.11000E+01 volume 0.10004E-03 ppm1 0.714 ppm2 8.723 CV 1 ASSI { 4303} (( segid "A " and resid 29 and name HB1 )) (( segid "A " and resid 29 and name HB2 )) 1.500 0.300 0.700 peak 4303 spectrum 1 weight 0.11000E+01 volume 0.20872E-01 ppm1 3.066 ppm2 3.376 CV 1 ASSI { 4305} (( segid "A " and resid 21 and name HB )) (( segid "A " and resid 21 and name HA )) 2.400 0.700 0.700 peak 4305 spectrum 1 weight 0.11000E+01 volume 0.76463E-02 ppm1 4.306 ppm2 3.986 CV 1 ASSI { 4306} (( segid "A " and resid 21 and name HB )) (( segid "A " and resid 22 and name HN )) 4.400 2.400 1.600 peak 4306 spectrum 1 weight 0.11000E+01 volume 0.91853E-03 ppm1 4.305 ppm2 7.768 CV 1 ASSI { 4307} ( segid "A " and resid 100 and name HG2%) ( segid "A " and resid 98 and name HE% ) 4.800 4.800 1.200 peak 4307 spectrum 1 weight 0.11000E+01 volume 0.46131E-03 ppm1 1.286 ppm2 6.851 CV 1 ASSI { 4308} ( segid "A " and resid 28 and name HG2%) (( segid "A " and resid 63 and name HA )) 6.000 6.000 0.000 peak 4308 spectrum 1 weight 0.11000E+01 volume 0.71186E-04 ppm1 1.282 ppm2 5.231 CV 1 ASSI { 4312} ( segid "A " and resid 21 and name HG2%) (( segid "A " and resid 38 and name HD2 )) 5.000 3.100 1.000 peak 4312 spectrum 1 weight 0.11000E+01 volume 0.61957E-04 ppm1 1.293 ppm2 3.258 CV 1 ASSI { 4316} (( segid "A " and resid 22 and name HB1 )) (( segid "A " and resid 23 and name HN )) 6.000 5.900 0.000 peak 4316 spectrum 1 weight 0.11000E+01 volume 0.73037E-04 ppm1 2.649 ppm2 8.140 CV 1 ASSI { 4318} (( segid "A " and resid 23 and name HB1 )) (( segid "A " and resid 23 and name HD21)) 4.100 2.100 1.900 peak 4318 spectrum 1 weight 0.11000E+01 volume 0.12078E-03 ppm1 2.726 ppm2 6.692 CV 1 ASSI { 4321} (( segid "A " and resid 26 and name HB )) ( segid "A " and resid 62 and name HG2%) 2.300 0.700 0.700 peak 4321 spectrum 1 weight 0.11000E+01 volume 0.34785E-02 ppm1 3.841 ppm2 1.083 CV 1 ASSI { 4322} ( segid "A " and resid 26 and name HG2%) (( segid "A " and resid 25 and name HA1 )) 4.600 2.600 1.400 peak 4322 spectrum 1 weight 0.11000E+01 volume 0.16736E-03 ppm1 1.179 ppm2 3.714 CV 1 ASSI { 4323} (( segid "A " and resid 132 and name HB2 )) ( segid "A " and resid 104 and name HD1%) 6.000 6.000 0.000 peak 4323 spectrum 1 weight 0.11000E+01 volume 0.21098E-04 ppm1 1.853 ppm2 0.581 CV 1 OR { 4323} (( segid "A " and resid 132 and name HB1 )) ( segid "A " and resid 104 and name HD1%) ASSI { 4325} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 33 and name HG2 )) 6.000 5.300 0.000 peak 4325 spectrum 1 weight 0.11000E+01 volume 0.18132E-03 ppm1 4.417 ppm2 1.222 CV 1 ASSI { 4328} (( segid "A " and resid 121 and name HB2 )) (( segid "A " and resid 117 and name HA )) 5.300 3.500 0.700 peak 4328 spectrum 1 weight 0.11000E+01 volume 0.82701E-04 ppm1 2.226 ppm2 4.634 CV 1 ASSI { 4330} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 19 and name HD1%) 4.500 2.600 1.500 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.46379E-03 ppm1 2.138 ppm2 0.755 CV 1 OR { 4330} (( segid "A " and resid 18 and name HB1 )) (( segid "A " and resid 19 and name HG11)) OR { 4330} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 19 and name HG2%) ASSI { 4332} (( segid "A " and resid 73 and name HB )) (( segid "A " and resid 76 and name HB2 )) 6.000 6.000 0.000 peak 4332 spectrum 1 weight 0.11000E+01 volume 0.43391E-04 ppm1 1.968 ppm2 2.822 CV 1 ASSI { 4334} (( segid "A " and resid 15 and name HB1 )) (( segid "A " and resid 18 and name HB2 )) 4.500 2.500 1.500 peak 4334 spectrum 1 weight 0.11000E+01 volume 0.89370E-03 ppm1 1.853 ppm2 2.268 CV 1 ASSI { 4339} (( segid "A " and resid 101 and name HG )) (( segid "A " and resid 102 and name HN )) 4.000 2.000 2.000 peak 4339 spectrum 1 weight 0.11000E+01 volume 0.96231E-04 ppm1 1.588 ppm2 8.537 CV 1 ASSI { 4342} (( segid "A " and resid 101 and name HG )) (( segid "A " and resid 102 and name HA )) 6.000 4.600 0.000 peak 4342 spectrum 1 weight 0.11000E+01 volume 0.94217E-04 ppm1 1.613 ppm2 4.442 CV 1 ASSI { 4345} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 29 and name HA )) 4.200 4.200 1.800 peak 4345 spectrum 1 weight 0.11000E+01 volume 0.14607E-02 ppm1 0.874 ppm2 4.342 CV 1 ASSI { 4347} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 131 and name HA1 )) 6.000 6.000 0.000 peak 4347 spectrum 1 weight 0.11000E+01 volume 0.86104E-04 ppm1 0.905 ppm2 3.473 CV 1 ASSI { 4348} ( segid "A " and resid 101 and name HD1%) (( segid "A " and resid 105 and name HB2 )) 6.000 6.000 0.000 peak 4348 spectrum 1 weight 0.11000E+01 volume 0.11101E-03 ppm1 0.901 ppm2 2.101 CV 1 ASSI { 4350} ( segid "A " and resid 113 and name HD2%) (( segid "A " and resid 106 and name HA )) 2.800 2.800 3.200 peak 4350 spectrum 1 weight 0.11000E+01 volume 0.32059E-03 ppm1 0.739 ppm2 4.069 CV 1 ASSI { 4353} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 74 and name HN )) 3.900 1.900 1.900 peak 4353 spectrum 1 weight 0.11000E+01 volume 0.62355E-03 ppm1 3.798 ppm2 7.723 CV 1 ASSI { 4354} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 4354 spectrum 1 weight 0.11000E+01 volume 0.86126E-03 ppm1 3.800 ppm2 1.600 CV 1 OR { 4354} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 75 and name HG )) OR { 4354} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 75 and name HB2 )) ASSI { 4356} (( segid "A " and resid 17 and name HD2 )) (( segid "A " and resid 18 and name HN )) 5.000 3.200 1.000 peak 4356 spectrum 1 weight 0.11000E+01 volume 0.46825E-03 ppm1 1.732 ppm2 7.739 CV 1 ASSI { 4360} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 47 and name HN )) 5.300 3.500 0.700 peak 4360 spectrum 1 weight 0.11000E+01 volume 0.39099E-03 ppm1 3.589 ppm2 7.071 CV 1 ASSI { 4362} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 119 and name HN )) 5.300 3.500 0.700 peak 4362 spectrum 1 weight 0.11000E+01 volume 0.62856E-04 ppm1 3.853 ppm2 8.411 CV 1 ASSI { 4363} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 122 and name HN )) 6.000 5.000 0.000 peak 4363 spectrum 1 weight 0.11000E+01 volume 0.61712E-04 ppm1 3.846 ppm2 8.262 CV 1 ASSI { 4365} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 67 and name HN )) 3.700 3.700 2.300 peak 4365 spectrum 1 weight 0.11000E+01 volume 0.57275E-04 ppm1 1.517 ppm2 8.461 CV 1 ASSI { 4366} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 56 and name HA )) 6.000 5.900 0.000 peak 4366 spectrum 1 weight 0.11000E+01 volume 0.56486E-04 ppm1 1.525 ppm2 4.756 CV 1 ASSI { 4368} (( segid "A " and resid 123 and name HG1 )) (( segid "A " and resid 124 and name HN )) 6.000 6.000 0.000 peak 4368 spectrum 1 weight 0.11000E+01 volume 0.54907E-04 ppm1 1.646 ppm2 7.476 CV 1 ASSI { 4370} (( segid "A " and resid 17 and name HA )) ( segid "A " and resid 16 and name HE% ) 5.500 3.800 0.500 peak 4370 spectrum 1 weight 0.11000E+01 volume 0.85805E-04 ppm1 3.962 ppm2 7.008 CV 1 ASSI { 4371} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 19 and name HN )) 5.100 3.300 0.900 peak 4371 spectrum 1 weight 0.11000E+01 volume 0.10404E-03 ppm1 3.964 ppm2 7.509 CV 1 ASSI { 4374} ( segid "A " and resid 142 and name HE% ) (( segid "A " and resid 140 and name HN )) 3.400 3.400 2.600 peak 4374 spectrum 1 weight 0.11000E+01 volume 0.87900E-04 ppm1 1.837 ppm2 7.669 CV 1 ASSI { 4375} ( segid "A " and resid 142 and name HE% ) ( segid "A " and resid 139 and name HB% ) 3.400 3.400 2.600 peak 4375 spectrum 1 weight 0.11000E+01 volume 0.92092E-04 ppm1 1.849 ppm2 1.162 CV 1 ASSI { 4379} (( segid "A " and resid 111 and name HB2 )) ( segid "A " and resid 111 and name HE% ) 4.900 3.000 1.100 peak 4379 spectrum 1 weight 0.11000E+01 volume 0.95871E-03 ppm1 3.128 ppm2 7.337 CV 1 ASSI { 4381} ( segid "A " and resid 32 and name HD1%) (( segid "A " and resid 51 and name HB2 )) 2.600 2.600 3.400 peak 4381 spectrum 1 weight 0.11000E+01 volume 0.64669E-02 ppm1 0.899 ppm2 1.893 CV 1 ASSI { 4386} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 59 and name HD2 )) 4.300 2.400 1.700 peak 4386 spectrum 1 weight 0.11000E+01 volume 0.42744E-03 ppm1 1.967 ppm2 1.670 CV 1 ASSI { 4388} (( segid "A " and resid 93 and name HG1 )) (( segid "A " and resid 90 and name HA )) 4.800 2.800 1.200 peak 4388 spectrum 1 weight 0.11000E+01 volume 0.10851E-03 ppm1 1.472 ppm2 4.031 CV 1 ASSI { 4389} (( segid "A " and resid 157 and name HG2 )) (( segid "A " and resid 128 and name HB1 )) 2.100 2.100 3.900 peak 4389 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 1.540 ppm2 3.071 CV 1 ASSI { 4390} (( segid "A " and resid 157 and name HG2 )) (( segid "A " and resid 157 and name HB1 )) 2.800 1.000 1.000 peak 4390 spectrum 1 weight 0.11000E+01 volume 0.38063E-02 ppm1 1.542 ppm2 2.068 CV 1 OR { 4390} (( segid "A " and resid 157 and name HG2 )) (( segid "A " and resid 157 and name HB2 )) ASSI { 4391} (( segid "A " and resid 157 and name HG2 )) (( segid "A " and resid 157 and name HD2 )) 2.400 0.700 0.700 peak 4391 spectrum 1 weight 0.11000E+01 volume 0.89462E-02 ppm1 1.542 ppm2 1.762 CV 1 ASSI { 4393} (( segid "A " and resid 59 and name HG2 )) (( segid "A " and resid 59 and name HD1 )) 2.800 1.000 1.000 peak 4393 spectrum 1 weight 0.11000E+01 volume 0.21096E-02 ppm1 1.352 ppm2 1.724 CV 1 OR { 4393} (( segid "A " and resid 59 and name HG2 )) (( segid "A " and resid 59 and name HD2 )) ASSI { 4400} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 50 and name HN )) 5.000 3.200 1.000 peak 4400 spectrum 1 weight 0.11000E+01 volume 0.16099E-03 ppm1 4.140 ppm2 7.748 CV 1 ASSI { 4401} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 48 and name HN )) 6.000 5.300 0.000 peak 4401 spectrum 1 weight 0.11000E+01 volume 0.40588E-04 ppm1 4.141 ppm2 8.149 CV 1 ASSI { 4404} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 49 and name HD2 )) 5.300 3.500 0.700 peak 4404 spectrum 1 weight 0.11000E+01 volume 0.86838E-04 ppm1 4.131 ppm2 1.566 CV 1 ASSI { 4411} (( segid "A " and resid 50 and name HB1 )) (( segid "A " and resid 47 and name HA )) 2.600 0.800 0.800 peak 4411 spectrum 1 weight 0.11000E+01 volume 0.44834E-02 ppm1 2.677 ppm2 4.289 CV 1 ASSI { 4412} (( segid "A " and resid 50 and name HB1 )) (( segid "A " and resid 47 and name HB1 )) 4.900 3.000 1.100 peak 4412 spectrum 1 weight 0.11000E+01 volume 0.15614E-03 ppm1 2.679 ppm2 2.114 CV 1 ASSI { 4413} (( segid "A " and resid 50 and name HB2 )) (( segid "A " and resid 49 and name HB2 )) 6.000 5.900 0.000 peak 4413 spectrum 1 weight 0.11000E+01 volume 0.13897E-03 ppm1 2.814 ppm2 2.049 CV 1 ASSI { 4417} (( segid "A " and resid 101 and name HB2 )) (( segid "A " and resid 104 and name HN )) 5.700 4.000 0.300 peak 4417 spectrum 1 weight 0.11000E+01 volume 0.12773E-03 ppm1 1.763 ppm2 7.971 CV 1 ASSI { 4418} (( segid "A " and resid 101 and name HB2 )) (( segid "A " and resid 105 and name HB2 )) 3.300 3.300 2.700 peak 4418 spectrum 1 weight 0.11000E+01 volume 0.19405E-02 ppm1 1.754 ppm2 2.145 CV 1 ASSI { 4420} ( segid "A " and resid 51 and name HD1%) ( segid "A " and resid 55 and name HB% ) 4.000 2.000 2.000 peak 4420 spectrum 1 weight 0.11000E+01 volume 0.65148E-03 ppm1 0.833 ppm2 1.324 CV 1 ASSI { 4422} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 53 and name HN )) 2.900 1.000 1.000 peak 4422 spectrum 1 weight 0.11000E+01 volume 0.34730E-02 ppm1 3.996 ppm2 8.343 CV 1 ASSI { 4426} (( segid "A " and resid 52 and name HA )) ( segid "A " and resid 51 and name HD1%) 3.900 3.900 2.100 peak 4426 spectrum 1 weight 0.11000E+01 volume 0.90454E-03 ppm1 3.991 ppm2 0.819 CV 1 OR { 4426} (( segid "A " and resid 52 and name HA )) ( segid "A " and resid 51 and name HD2%) ASSI { 4428} (( segid "A " and resid 52 and name HB2 )) ( segid "A " and resid 49 and name HZ% ) 3.900 3.900 2.100 peak 4428 spectrum 1 weight 0.11000E+01 volume 0.43528E-04 ppm1 2.469 ppm2 7.295 CV 1 ASSI { 4429} (( segid "A " and resid 52 and name HB1 )) ( segid "A " and resid 49 and name HZ% ) 3.500 3.500 2.500 peak 4429 spectrum 1 weight 0.11000E+01 volume 0.75787E-04 ppm1 1.975 ppm2 7.205 CV 1 ASSI { 4430} ( segid "A " and resid 52 and name HE% ) (( segid "A " and resid 28 and name HN )) 6.000 6.000 0.000 peak 4430 spectrum 1 weight 0.11000E+01 volume 0.33755E-05 ppm1 2.028 ppm2 8.709 CV 1 ASSI { 4431} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 59 and name HG2 )) 4.300 2.300 1.700 peak 4431 spectrum 1 weight 0.11000E+01 volume 0.59935E-03 ppm1 4.326 ppm2 1.345 CV 1 ASSI { 4432} (( segid "A " and resid 71 and name HA )) ( segid "A " and resid 75 and name HD2%) 5.900 5.900 0.100 peak 4432 spectrum 1 weight 0.11000E+01 volume 0.13753E-03 ppm1 4.375 ppm2 0.739 CV 1 ASSI { 4434} (( segid "A " and resid 56 and name HB1 )) (( segid "A " and resid 59 and name HG1 )) 2.900 2.900 3.100 peak 4434 spectrum 1 weight 0.11000E+01 volume 0.38700E-02 ppm1 2.412 ppm2 1.476 CV 1 ASSI { 4435} (( segid "A " and resid 57 and name HB )) (( segid "A " and resid 59 and name HN )) 6.000 5.900 0.000 peak 4435 spectrum 1 weight 0.11000E+01 volume 0.65089E-04 ppm1 2.030 ppm2 7.845 CV 1 ASSI { 4439} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 62 and name HN )) 6.000 4.700 0.000 peak 4439 spectrum 1 weight 0.11000E+01 volume 0.70397E-04 ppm1 4.004 ppm2 7.606 CV 1 ASSI { 4441} (( segid "A " and resid 62 and name HB )) ( segid "A " and resid 28 and name HG2%) 5.800 4.200 0.200 peak 4441 spectrum 1 weight 0.11000E+01 volume 0.23615E-03 ppm1 3.791 ppm2 1.270 CV 1 ASSI { 4442} (( segid "A " and resid 120 and name HB2 )) (( segid "A " and resid 117 and name HA )) 6.000 6.000 0.000 peak 4442 spectrum 1 weight 0.11000E+01 volume 0.38737E-04 ppm1 2.697 ppm2 4.653 CV 1 ASSI { 4444} (( segid "A " and resid 123 and name HB2 )) (( segid "A " and resid 120 and name HA )) 5.200 3.400 0.800 peak 4444 spectrum 1 weight 0.11000E+01 volume 0.43447E-04 ppm1 1.935 ppm2 4.420 CV 1 ASSI { 4445} (( segid "A " and resid 119 and name HA )) (( segid "A " and resid 122 and name HA )) 4.900 3.100 1.100 peak 4445 spectrum 1 weight 0.11000E+01 volume 0.11302E-02 ppm1 4.306 ppm2 3.552 CV 1 ASSI { 4446} (( segid "A " and resid 121 and name HG1 )) (( segid "A " and resid 118 and name HA )) 6.000 6.000 0.000 peak 4446 spectrum 1 weight 0.11000E+01 volume 0.20253E-04 ppm1 2.615 ppm2 3.850 CV 1 ASSI { 4447} (( segid "A " and resid 121 and name HG1 )) (( segid "A " and resid 125 and name HG11)) 4.900 3.000 1.100 peak 4447 spectrum 1 weight 0.11000E+01 volume 0.11893E-03 ppm1 2.629 ppm2 1.663 CV 1 ASSI { 4448} (( segid "A " and resid 121 and name HG2 )) (( segid "A " and resid 125 and name HG12)) 6.000 4.600 0.000 peak 4448 spectrum 1 weight 0.11000E+01 volume 0.81639E-04 ppm1 2.417 ppm2 1.157 CV 1 ASSI { 4450} (( segid "A " and resid 121 and name HG1 )) (( segid "A " and resid 119 and name HN )) 6.000 6.000 0.000 peak 4450 spectrum 1 weight 0.11000E+01 volume 0.88309E-04 ppm1 2.645 ppm2 8.402 CV 1 ASSI { 4452} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 122 and name HG11)) 4.100 2.100 1.900 peak 4452 spectrum 1 weight 0.11000E+01 volume 0.40691E-03 ppm1 1.939 ppm2 1.074 CV 1 ASSI { 4453} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 114 and name HN )) 3.500 3.500 2.500 peak 4453 spectrum 1 weight 0.11000E+01 volume 0.81966E-04 ppm1 1.934 ppm2 8.640 CV 1 ASSI { 4454} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 105 and name HN )) 6.000 6.000 0.000 peak 4454 spectrum 1 weight 0.11000E+01 volume 0.75787E-04 ppm1 1.936 ppm2 8.383 CV 1 ASSI { 4455} ( segid "A " and resid 121 and name HE% ) ( segid "A " and resid 111 and name HD% ) 3.400 3.400 2.600 peak 4455 spectrum 1 weight 0.11000E+01 volume 0.10045E-03 ppm1 1.939 ppm2 7.329 CV 1 OR { 4455} ( segid "A " and resid 121 and name HE% ) ( segid "A " and resid 111 and name HE% ) ASSI { 4456} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 121 and name HN )) 6.000 5.800 0.000 peak 4456 spectrum 1 weight 0.11000E+01 volume 0.12702E-03 ppm1 1.948 ppm2 7.900 CV 1 ASSI { 4458} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 121 and name HN )) 6.000 6.000 0.000 peak 4458 spectrum 1 weight 0.11000E+01 volume 0.19899E-04 ppm1 3.585 ppm2 7.902 CV 1 ASSI { 4461} (( segid "A " and resid 122 and name HG11)) ( segid "A " and resid 104 and name HD1%) 4.900 3.000 1.100 peak 4461 spectrum 1 weight 0.11000E+01 volume 0.50771E-03 ppm1 1.067 ppm2 0.587 CV 1 ASSI { 4462} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 123 and name HA )) 3.100 3.100 2.900 peak 4462 spectrum 1 weight 0.11000E+01 volume 0.15655E-03 ppm1 0.781 ppm2 4.135 CV 1 ASSI { 4463} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 131 and name HA1 )) 3.500 3.500 2.500 peak 4463 spectrum 1 weight 0.11000E+01 volume 0.76222E-04 ppm1 0.785 ppm2 3.443 CV 1 ASSI { 4464} (( segid "A " and resid 130 and name HB1 )) (( segid "A " and resid 132 and name HE21)) 6.000 6.000 0.000 peak 4464 spectrum 1 weight 0.11000E+01 volume 0.84634E-04 ppm1 2.479 ppm2 6.339 CV 1 ASSI { 4465} (( segid "A " and resid 130 and name HB2 )) (( segid "A " and resid 132 and name HE21)) 6.000 5.900 0.000 peak 4465 spectrum 1 weight 0.11000E+01 volume 0.71621E-04 ppm1 2.922 ppm2 6.329 CV 1 ASSI { 4466} (( segid "A " and resid 130 and name HB2 )) (( segid "A " and resid 132 and name HE22)) 6.000 5.600 0.000 peak 4466 spectrum 1 weight 0.11000E+01 volume 0.59888E-04 ppm1 2.911 ppm2 5.768 CV 1 ASSI { 4467} (( segid "A " and resid 132 and name HG1 )) (( segid "A " and resid 132 and name HE22)) 4.800 2.900 1.200 peak 4467 spectrum 1 weight 0.11000E+01 volume 0.30081E-03 ppm1 1.904 ppm2 5.777 CV 1 ASSI { 4469} (( segid "A " and resid 98 and name HB2 )) (( segid "A " and resid 132 and name HE21)) 6.000 5.800 0.000 peak 4469 spectrum 1 weight 0.11000E+01 volume 0.79299E-04 ppm1 2.594 ppm2 6.332 CV 1 ASSI { 4471} (( segid "A " and resid 130 and name HB1 )) (( segid "A " and resid 132 and name HE22)) 6.000 6.000 0.000 peak 4471 spectrum 1 weight 0.11000E+01 volume 0.39391E-04 ppm1 2.448 ppm2 5.765 CV 1 ASSI { 4475} (( segid "A " and resid 131 and name HA2 )) (( segid "A " and resid 126 and name HB1 )) 4.600 2.700 1.400 peak 4475 spectrum 1 weight 0.11000E+01 volume 0.34653E-04 ppm1 4.041 ppm2 2.468 CV 1 ASSI { 4476} (( segid "A " and resid 132 and name HB2 )) (( segid "A " and resid 132 and name HE22)) 5.600 3.900 0.400 peak 4476 spectrum 1 weight 0.11000E+01 volume 0.10217E-03 ppm1 1.880 ppm2 5.794 CV 1 ASSI { 4483} (( segid "A " and resid 133 and name HA )) ( segid "A " and resid 138 and name HD% ) 6.000 6.000 0.000 peak 4483 spectrum 1 weight 0.11000E+01 volume 0.68519E-04 ppm1 5.279 ppm2 6.941 CV 1 ASSI { 4484} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 136 and name HN )) 4.100 2.100 1.900 peak 4484 spectrum 1 weight 0.11000E+01 volume 0.23958E-03 ppm1 2.994 ppm2 8.209 CV 1 ASSI { 4493} (( segid "A " and resid 135 and name HB1 )) (( segid "A " and resid 138 and name HB2 )) 6.000 6.000 0.000 peak 4493 spectrum 1 weight 0.11000E+01 volume 0.50851E-04 ppm1 2.101 ppm2 3.306 CV 1 ASSI { 4494} (( segid "A " and resid 66 and name HA1 )) ( segid "A " and resid 65 and name HE% ) 6.000 5.200 0.000 peak 4494 spectrum 1 weight 0.11000E+01 volume 0.12059E-03 ppm1 3.623 ppm2 6.552 CV 1 ASSI { 4496} (( segid "A " and resid 66 and name HA2 )) ( segid "A " and resid 65 and name HE% ) 6.000 6.000 0.000 peak 4496 spectrum 1 weight 0.11000E+01 volume 0.47585E-04 ppm1 3.922 ppm2 6.559 CV 1 ASSI { 4497} (( segid "A " and resid 66 and name HA2 )) ( segid "A " and resid 65 and name HD% ) 6.000 6.000 0.000 peak 4497 spectrum 1 weight 0.11000E+01 volume 0.38954E-04 ppm1 3.937 ppm2 6.379 CV 1 ASSI { 4499} (( segid "A " and resid 66 and name HA2 )) (( segid "A " and resid 67 and name HG2 )) 6.000 6.000 0.000 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.12748E-03 ppm1 3.925 ppm2 2.412 CV 1 ASSI { 4500} ( segid "A " and resid 133 and name HG2%) (( segid "A " and resid 133 and name HG11)) 2.800 1.000 1.000 peak 4500 spectrum 1 weight 0.11000E+01 volume 0.33088E-02 ppm1 1.209 ppm2 0.986 CV 1 ASSI { 4502} (( segid "A " and resid 67 and name HG1 )) (( segid "A " and resid 57 and name HG11)) 6.000 6.000 0.000 peak 4502 spectrum 1 weight 0.11000E+01 volume 0.81067E-04 ppm1 2.964 ppm2 1.664 CV 1 ASSI { 4506} ( segid "A " and resid 125 and name HG2%) (( segid "A " and resid 141 and name HG2 )) 3.100 1.200 1.200 peak 4506 spectrum 1 weight 0.11000E+01 volume 0.14392E-02 ppm1 0.921 ppm2 2.350 CV 1 ASSI { 4510} ( segid "A " and resid 141 and name HE% ) (( segid "A " and resid 133 and name HG11)) 2.600 2.600 3.400 peak 4510 spectrum 1 weight 0.11000E+01 volume 0.41081E-03 ppm1 1.654 ppm2 1.009 CV 1 ASSI { 4515} (( segid "A " and resid 18 and name HB1 )) (( segid "A " and resid 19 and name HN )) 4.300 2.300 1.700 peak 4515 spectrum 1 weight 0.11000E+01 volume 0.23733E-03 ppm1 2.153 ppm2 7.478 CV 1 ASSI { 4517} (( segid "A " and resid 18 and name HB2 )) ( segid "A " and resid 15 and name HD1%) 6.000 5.100 0.000 peak 4517 spectrum 1 weight 0.11000E+01 volume 0.61332E-04 ppm1 2.269 ppm2 1.034 CV 1 OR { 4517} (( segid "A " and resid 18 and name HB2 )) ( segid "A " and resid 15 and name HD2%) ASSI { 4518} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 15 and name HD1%) 5.600 4.000 0.400 peak 4518 spectrum 1 weight 0.11000E+01 volume 0.86104E-04 ppm1 2.137 ppm2 1.047 CV 1 OR { 4518} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 15 and name HD2%) ASSI { 4521} (( segid "A " and resid 18 and name HG1 )) (( segid "A " and resid 18 and name HN )) 6.000 4.800 0.000 peak 4521 spectrum 1 weight 0.11000E+01 volume 0.86377E-04 ppm1 2.710 ppm2 7.716 CV 1 ASSI { 4524} (( segid "A " and resid 18 and name HG1 )) ( segid "A " and resid 15 and name HD1%) 6.000 5.700 0.000 peak 4524 spectrum 1 weight 0.11000E+01 volume 0.60624E-04 ppm1 2.712 ppm2 1.032 CV 1 OR { 4524} (( segid "A " and resid 18 and name HG1 )) ( segid "A " and resid 15 and name HD2%) ASSI { 4526} (( segid "A " and resid 18 and name HG2 )) (( segid "A " and resid 15 and name HA )) 5.700 5.700 0.300 peak 4526 spectrum 1 weight 0.11000E+01 volume 0.76195E-04 ppm1 2.541 ppm2 4.188 CV 1 ASSI { 4527} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 14 and name HA )) 3.200 3.200 2.800 peak 4527 spectrum 1 weight 0.11000E+01 volume 0.13712E-03 ppm1 2.029 ppm2 4.080 CV 1 ASSI { 4528} ( segid "A " and resid 18 and name HE% ) ( segid "A " and resid 21 and name HG2%) 6.000 6.000 0.000 peak 4528 spectrum 1 weight 0.11000E+01 volume 0.81394E-04 ppm1 2.032 ppm2 1.276 CV 1 ASSI { 4531} ( segid "A " and resid 18 and name HE% ) (( segid "A " and resid 18 and name HN )) 6.000 5.700 0.000 peak 4531 spectrum 1 weight 0.11000E+01 volume 0.11899E-03 ppm1 2.035 ppm2 7.750 CV 1 ASSI { 4534} ( segid "A " and resid 19 and name HD1%) (( segid "A " and resid 15 and name HA )) 6.000 6.000 0.000 peak 4534 spectrum 1 weight 0.11000E+01 volume 0.78264E-04 ppm1 0.725 ppm2 4.190 CV 1 ASSI { 4536} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 68 and name HZ )) 6.000 4.800 0.000 peak 4536 spectrum 1 weight 0.11000E+01 volume 0.46796E-04 ppm1 1.880 ppm2 7.211 CV 1 ASSI { 4537} (( segid "A " and resid 19 and name HG12)) (( segid "A " and resid 68 and name HB2 )) 6.000 6.000 0.000 peak 4537 spectrum 1 weight 0.11000E+01 volume 0.39282E-04 ppm1 1.879 ppm2 3.401 CV 1 ASSI { 4538} (( segid "A " and resid 19 and name HG12)) ( segid "A " and resid 15 and name HD1%) 4.500 2.500 1.500 peak 4538 spectrum 1 weight 0.11000E+01 volume 0.41437E-03 ppm1 1.883 ppm2 1.012 CV 1 OR { 4538} (( segid "A " and resid 19 and name HG12)) ( segid "A " and resid 15 and name HD2%) ASSI { 4541} (( segid "A " and resid 20 and name HB1 )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 4541 spectrum 1 weight 0.11000E+01 volume 0.73445E-04 ppm1 1.493 ppm2 6.478 CV 1 ASSI { 4542} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 31 and name HG2 )) 3.500 1.500 1.500 peak 4542 spectrum 1 weight 0.11000E+01 volume 0.17106E-02 ppm1 1.479 ppm2 2.393 CV 1 OR { 4542} (( segid "A " and resid 20 and name HB1 )) (( segid "A " and resid 31 and name HB2 )) ASSI { 4547} (( segid "A " and resid 128 and name HB1 )) (( segid "A " and resid 154 and name HN )) 4.300 2.400 1.700 peak 4547 spectrum 1 weight 0.11000E+01 volume 0.42467E-03 ppm1 3.075 ppm2 7.955 CV 1 ASSI { 4551} (( segid "A " and resid 23 and name HB1 )) (( segid "A " and resid 25 and name HN )) 5.400 3.700 0.600 peak 4551 spectrum 1 weight 0.11000E+01 volume 0.11885E-03 ppm1 2.715 ppm2 -0.388 CV 1 ASSI { 4553} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 23 and name HN )) 6.000 4.700 0.000 peak 4553 spectrum 1 weight 0.11000E+01 volume 0.82102E-04 ppm1 4.294 ppm2 8.133 CV 1 ASSI { 4554} (( segid "A " and resid 26 and name HB )) ( segid "A " and resid 27 and name HD1%) 6.000 6.000 0.000 peak 4554 spectrum 1 weight 0.11000E+01 volume 0.11120E-03 ppm1 3.847 ppm2 0.119 CV 1 ASSI { 4555} (( segid "A " and resid 26 and name HB )) (( segid "A " and resid 63 and name HB )) 6.000 6.000 0.000 peak 4555 spectrum 1 weight 0.11000E+01 volume 0.68274E-04 ppm1 3.847 ppm2 2.044 CV 1 ASSI { 4557} ( segid "A " and resid 26 and name HG2%) (( segid "A " and resid 24 and name HB1 )) 4.400 2.400 1.600 peak 4557 spectrum 1 weight 0.11000E+01 volume 0.19846E-04 ppm1 1.178 ppm2 4.231 CV 1 ASSI { 4561} ( segid "A " and resid 27 and name HG2%) (( segid "A " and resid 64 and name HA )) 6.000 6.000 0.000 peak 4561 spectrum 1 weight 0.11000E+01 volume 0.39227E-04 ppm1 0.848 ppm2 5.272 CV 1 ASSI { 4566} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 16 and name HB1 )) 6.000 6.000 0.000 peak 4566 spectrum 1 weight 0.11000E+01 volume 0.37702E-04 ppm1 1.921 ppm2 3.205 CV 1 ASSI { 4568} (( segid "A " and resid 89 and name HB1 )) (( segid "A " and resid 92 and name HN )) 6.000 5.600 0.000 peak 4568 spectrum 1 weight 0.11000E+01 volume 0.71540E-04 ppm1 4.026 ppm2 7.865 CV 1 ASSI { 4570} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 89 and name HN )) 3.400 1.500 1.500 peak 4570 spectrum 1 weight 0.11000E+01 volume 0.95245E-03 ppm1 4.054 ppm2 8.498 CV 1 OR { 4570} (( segid "A " and resid 89 and name HB1 )) (( segid "A " and resid 89 and name HN )) ASSI { 4571} (( segid "A " and resid 89 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 6.000 5.900 0.000 peak 4571 spectrum 1 weight 0.11000E+01 volume 0.68001E-04 ppm1 4.050 ppm2 6.727 CV 1 OR { 4571} (( segid "A " and resid 89 and name HB1 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4573} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 89 and name HN )) 3.800 1.800 1.800 peak 4573 spectrum 1 weight 0.11000E+01 volume 0.70803E-03 ppm1 4.057 ppm2 8.507 CV 1 ASSI { 4574} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 93 and name HG1 )) 5.600 4.000 0.400 peak 4574 spectrum 1 weight 0.11000E+01 volume 0.17142E-03 ppm1 4.060 ppm2 1.443 CV 1 OR { 4574} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 93 and name HG2 )) ASSI { 4575} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 93 and name HG1 )) 5.600 3.900 0.400 peak 4575 spectrum 1 weight 0.11000E+01 volume 0.58446E-04 ppm1 3.997 ppm2 1.432 CV 1 OR { 4575} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 93 and name HG2 )) ASSI { 4576} (( segid "A " and resid 90 and name HA )) ( segid "A " and resid 90 and name HE% ) 6.000 6.000 0.000 peak 4576 spectrum 1 weight 0.11000E+01 volume 0.44100E-04 ppm1 4.004 ppm2 6.108 CV 1 ASSI { 4579} (( segid "A " and resid 90 and name HB2 )) ( segid "A " and resid 87 and name HB% ) 6.000 6.000 0.000 peak 4579 spectrum 1 weight 0.11000E+01 volume 0.13137E-03 ppm1 3.047 ppm2 1.835 CV 1 ASSI { 4581} (( segid "A " and resid 23 and name HB2 )) (( segid "A " and resid 27 and name HG12)) 6.000 6.000 0.000 peak 4581 spectrum 1 weight 0.11000E+01 volume 0.23193E-04 ppm1 3.076 ppm2 0.348 CV 1 ASSI { 4583} (( segid "A " and resid 93 and name HB2 )) ( segid "A " and resid 90 and name HE% ) 6.000 6.000 0.000 peak 4583 spectrum 1 weight 0.11000E+01 volume 0.39963E-04 ppm1 1.829 ppm2 6.047 CV 1 ASSI { 4584} (( segid "A " and resid 93 and name HG1 )) ( segid "A " and resid 90 and name HD% ) 5.600 5.600 0.400 peak 4584 spectrum 1 weight 0.11000E+01 volume 0.73936E-04 ppm1 1.487 ppm2 6.491 CV 1 ASSI { 4585} (( segid "A " and resid 95 and name HA1 )) (( segid "A " and resid 88 and name HA )) 6.000 6.000 0.000 peak 4585 spectrum 1 weight 0.11000E+01 volume 0.19763E-04 ppm1 3.852 ppm2 3.252 CV 1 ASSI { 4587} (( segid "A " and resid 89 and name HB2 )) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 4587 spectrum 1 weight 0.11000E+01 volume 0.13377E-03 ppm1 4.100 ppm2 2.389 CV 1 ASSI { 4596} ( segid "A " and resid 54 and name HB% ) (( segid "A " and resid 53 and name HN )) 6.000 6.000 0.000 peak 4596 spectrum 1 weight 0.11000E+01 volume 0.38002E-04 ppm1 1.334 ppm2 8.319 CV 1 ASSI { 4597} ( segid "A " and resid 54 and name HB% ) ( segid "A " and resid 90 and name HD% ) 3.400 3.400 2.600 peak 4597 spectrum 1 weight 0.11000E+01 volume 0.89914E-04 ppm1 1.321 ppm2 6.547 CV 1 ASSI { 4601} ( segid "A " and resid 54 and name HB% ) (( segid "A " and resid 53 and name HB1 )) 6.000 5.600 0.000 peak 4601 spectrum 1 weight 0.11000E+01 volume 0.36695E-04 ppm1 1.318 ppm2 2.706 CV 1 ASSI { 4602} (( segid "A " and resid 91 and name HB2 )) ( segid "A " and resid 91 and name HE% ) 6.000 6.000 0.000 peak 4602 spectrum 1 weight 0.11000E+01 volume 0.62175E-04 ppm1 2.620 ppm2 6.608 CV 1 ASSI { 4603} (( segid "A " and resid 91 and name HB1 )) ( segid "A " and resid 90 and name HD% ) 6.000 6.000 0.000 peak 4603 spectrum 1 weight 0.11000E+01 volume 0.55941E-04 ppm1 2.591 ppm2 6.489 CV 1 ASSI { 4605} (( segid "A " and resid 33 and name HE1 )) (( segid "A " and resid 30 and name HA )) 6.000 6.000 0.000 peak 4605 spectrum 1 weight 0.11000E+01 volume 0.43583E-04 ppm1 2.656 ppm2 4.096 CV 1 ASSI { 4610} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 68 and name HE% ) 6.000 6.000 0.000 peak 4610 spectrum 1 weight 0.11000E+01 volume 0.52022E-04 ppm1 2.145 ppm2 7.011 CV 1 OR { 4610} (( segid "A " and resid 18 and name HB1 )) ( segid "A " and resid 68 and name HD% ) ASSI { 4615} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HG )) 3.100 1.200 1.200 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 4.041 ppm2 1.607 CV 1 ASSI { 4616} (( segid "A " and resid 59 and name HG2 )) (( segid "A " and resid 61 and name HA1 )) 6.000 6.000 0.000 peak 4616 spectrum 1 weight 0.11000E+01 volume 0.98272E-05 ppm1 1.353 ppm2 3.541 CV 1 ASSI { 4617} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 16 and name HZ )) 6.000 6.000 0.000 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.42331E-04 ppm1 1.877 ppm2 6.782 CV 1 ASSI { 4620} (( segid "A " and resid 39 and name HB )) (( segid "A " and resid 41 and name HN )) 6.000 6.000 0.000 peak 4620 spectrum 1 weight 0.11000E+01 volume 0.38410E-04 ppm1 2.448 ppm2 7.922 CV 1 ASSI { 4625} (( segid "A " and resid 92 and name HB1 )) (( segid "A " and resid 99 and name HG12)) 4.700 4.700 1.300 peak 4625 spectrum 1 weight 0.11000E+01 volume 0.45774E-03 ppm1 2.336 ppm2 1.095 CV 1 ASSI { 4627} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 21 and name HN )) 6.000 6.000 0.000 peak 4627 spectrum 1 weight 0.11000E+01 volume 0.65388E-04 ppm1 2.381 ppm2 8.081 CV 1 ASSI { 4629} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 135 and name HB1 )) 6.000 6.000 0.000 peak 4629 spectrum 1 weight 0.11000E+01 volume 0.75623E-04 ppm1 3.244 ppm2 2.123 CV 1 ASSI { 4631} (( segid "A " and resid 88 and name HA )) ( segid "A " and resid 84 and name HD1%) 6.000 6.000 0.000 peak 4631 spectrum 1 weight 0.11000E+01 volume 0.41787E-04 ppm1 3.218 ppm2 0.922 CV 1 ASSI { 4635} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 88 and name HN )) 5.600 3.900 0.400 peak 4635 spectrum 1 weight 0.11000E+01 volume 0.83736E-04 ppm1 4.289 ppm2 8.629 CV 1 ASSI { 4637} (( segid "A " and resid 87 and name HA )) ( segid "A " and resid 87 and name HB% ) 2.100 0.600 0.600 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.12209E-01 ppm1 4.295 ppm2 1.851 CV 1 ASSI { 4646} (( segid "A " and resid 92 and name HB1 )) (( segid "A " and resid 99 and name HB )) 6.000 6.000 0.000 peak 4646 spectrum 1 weight 0.11000E+01 volume 0.19709E-04 ppm1 2.350 ppm2 1.729 CV 1 ASSI { 4650} (( segid "A " and resid 93 and name HD2 )) (( segid "A " and resid 93 and name HE2 )) 2.700 0.900 0.900 peak 4650 spectrum 1 weight 0.11000E+01 volume 0.43145E-02 ppm1 1.655 ppm2 2.912 CV 1 ASSI { 4652} (( segid "A " and resid 93 and name HA )) (( segid "A " and resid 99 and name HG12)) 6.000 6.000 0.000 peak 4652 spectrum 1 weight 0.11000E+01 volume 0.36995E-04 ppm1 3.936 ppm2 1.121 CV 1 ASSI { 4657} ( segid "A " and resid 87 and name HB% ) ( segid "A " and resid 90 and name HD% ) 6.000 6.000 0.000 peak 4657 spectrum 1 weight 0.11000E+01 volume 0.12332E-03 ppm1 1.816 ppm2 6.566 CV 1 ASSI { 4658} (( segid "A " and resid 90 and name HB1 )) ( segid "A " and resid 91 and name HE% ) 4.100 2.100 1.900 peak 4658 spectrum 1 weight 0.11000E+01 volume 0.83363E-03 ppm1 2.981 ppm2 6.590 CV 1 ASSI { 4661} (( segid "A " and resid 13 and name HB2 )) (( segid "A " and resid 13 and name HG2 )) 2.500 0.800 0.800 peak 4661 spectrum 1 weight 0.11000E+01 volume 0.95771E-02 ppm1 1.935 ppm2 1.386 CV 1 ASSI { 4662} (( segid "A " and resid 13 and name HB2 )) (( segid "A " and resid 16 and name HB1 )) 5.900 4.400 0.100 peak 4662 spectrum 1 weight 0.11000E+01 volume 0.94243E-04 ppm1 1.937 ppm2 3.182 CV 1 ASSI { 4663} (( segid "A " and resid 13 and name HB2 )) (( segid "A " and resid 16 and name HB2 )) 5.700 4.000 0.300 peak 4663 spectrum 1 weight 0.11000E+01 volume 0.24921E-03 ppm1 1.937 ppm2 2.781 CV 1 ASSI { 4664} (( segid "A " and resid 49 and name HG2 )) ( segid "A " and resid 90 and name HD% ) 4.100 2.100 1.900 peak 4664 spectrum 1 weight 0.11000E+01 volume 0.47138E-03 ppm1 1.390 ppm2 6.552 CV 1 ASSI { 4665} (( segid "A " and resid 15 and name HG )) ( segid "A " and resid 68 and name HE% ) 5.600 4.000 0.400 peak 4665 spectrum 1 weight 0.11000E+01 volume 0.91603E-04 ppm1 1.791 ppm2 6.925 CV 1 ASSI { 4667} (( segid "A " and resid 27 and name HG12)) ( segid "A " and resid 16 and name HD% ) 6.000 4.700 0.000 peak 4667 spectrum 1 weight 0.11000E+01 volume 0.12065E-03 ppm1 0.342 ppm2 6.526 CV 1 ASSI { 4670} (( segid "A " and resid 88 and name HB2 )) ( segid "A " and resid 135 and name HD% ) 5.200 3.400 0.800 peak 4670 spectrum 1 weight 0.11000E+01 volume 0.92039E-04 ppm1 2.940 ppm2 6.416 CV 1 ASSI { 4673} (( segid "A " and resid 53 and name HB2 )) ( segid "A " and resid 90 and name HE% ) 5.800 4.200 0.200 peak 4673 spectrum 1 weight 0.11000E+01 volume 0.84606E-04 ppm1 2.638 ppm2 6.063 CV 1 ASSI { 4676} (( segid "A " and resid 50 and name HB2 )) (( segid "A " and resid 49 and name HG2 )) 5.600 4.000 0.400 peak 4676 spectrum 1 weight 0.11000E+01 volume 0.12081E-03 ppm1 2.798 ppm2 1.411 CV 1 ASSI { 4677} (( segid "A " and resid 50 and name HB2 )) (( segid "A " and resid 51 and name HA )) 6.000 6.000 0.000 peak 4677 spectrum 1 weight 0.11000E+01 volume 0.38002E-04 ppm1 2.808 ppm2 4.045 CV 1 ASSI { 4679} (( segid "A " and resid 119 and name HB2 )) (( segid "A " and resid 105 and name HE21)) 6.000 5.800 0.000 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.66721E-04 ppm1 2.673 ppm2 6.751 CV 1 ASSI { 4682} (( segid "A " and resid 151 and name HA )) (( segid "A " and resid 151 and name HG11)) 3.500 1.500 1.500 peak 4682 spectrum 1 weight 0.11000E+01 volume 0.81244E-03 ppm1 4.179 ppm2 1.455 CV 1 ASSI { 4693} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HN )) 6.000 6.000 0.000 peak 4693 spectrum 1 weight 0.11000E+01 volume 0.61196E-04 ppm1 3.259 ppm2 7.877 CV 1 ASSI { 4695} (( segid "A " and resid 96 and name HB2 )) (( segid "A " and resid 95 and name HA1 )) 6.000 6.000 0.000 peak 4695 spectrum 1 weight 0.11000E+01 volume 0.37975E-04 ppm1 4.056 ppm2 3.821 CV 1 OR { 4695} (( segid "A " and resid 96 and name HB2 )) (( segid "A " and resid 95 and name HA2 )) ASSI { 4696} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 61 and name HA1 )) 6.000 6.000 0.000 peak 4696 spectrum 1 weight 0.11000E+01 volume 0.20198E-04 ppm1 4.007 ppm2 3.536 CV 1 ASSI { 4697} (( segid "A " and resid 60 and name HB2 )) ( segid "A " and resid 62 and name HG2%) 6.000 6.000 0.000 peak 4697 spectrum 1 weight 0.11000E+01 volume 0.12430E-03 ppm1 4.010 ppm2 1.077 CV 1 ASSI { 4701} (( segid "A " and resid 33 and name HG2 )) (( segid "A " and resid 45 and name HG1 )) 5.700 4.100 0.300 peak 4701 spectrum 1 weight 0.11000E+01 volume 0.21500E-03 ppm1 1.236 ppm2 2.439 CV 1 ASSI { 4704} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 77 and name HG2 )) 4.200 2.200 1.800 peak 4704 spectrum 1 weight 0.11000E+01 volume 0.13347E-03 ppm1 3.163 ppm2 1.419 CV 1 ASSI { 4705} (( segid "A " and resid 74 and name HB1 )) (( segid "A " and resid 75 and name HB2 )) 5.600 4.000 0.400 peak 4705 spectrum 1 weight 0.11000E+01 volume 0.18266E-03 ppm1 3.001 ppm2 1.529 CV 1 ASSI { 4706} (( segid "A " and resid 74 and name HB1 )) (( segid "A " and resid 74 and name HN )) 5.200 5.200 0.800 peak 4706 spectrum 1 weight 0.11000E+01 volume 0.76521E-04 ppm1 3.003 ppm2 7.686 CV 1 ASSI { 4709} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 154 and name HN )) 6.000 6.000 0.000 peak 4709 spectrum 1 weight 0.11000E+01 volume 0.13938E-04 ppm1 2.989 ppm2 7.953 CV 1 ASSI { 4716} (( segid "A " and resid 96 and name HB2 )) ( segid "A " and resid 98 and name HE% ) 6.000 6.000 0.000 peak 4716 spectrum 1 weight 0.11000E+01 volume 0.36995E-04 ppm1 4.061 ppm2 6.809 CV 1 ASSI { 4719} (( segid "A " and resid 132 and name HG1 )) (( segid "A " and resid 133 and name HG11)) 6.000 5.600 0.000 peak 4719 spectrum 1 weight 0.11000E+01 volume 0.58909E-04 ppm1 1.892 ppm2 0.989 CV 1 ASSI { 4720} (( segid "A " and resid 131 and name HA1 )) (( segid "A " and resid 123 and name HD2 )) 6.000 4.900 0.000 peak 4720 spectrum 1 weight 0.11000E+01 volume 0.51342E-04 ppm1 3.473 ppm2 1.697 CV 1 ASSI { 4721} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 43 and name HG )) 3.100 3.100 2.900 peak 4721 spectrum 1 weight 0.11000E+01 volume 0.15076E-03 ppm1 2.526 ppm2 1.648 CV 1 ASSI { 4722} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 48 and name HG12)) 6.000 4.600 0.000 peak 4722 spectrum 1 weight 0.11000E+01 volume 0.13540E-03 ppm1 2.527 ppm2 1.811 CV 1 ASSI { 4723} (( segid "A " and resid 47 and name HB2 )) (( segid "A " and resid 48 and name HA )) 6.000 4.700 0.000 peak 4723 spectrum 1 weight 0.11000E+01 volume 0.59290E-04 ppm1 2.529 ppm2 3.610 CV 1 ASSI { 4725} (( segid "A " and resid 67 and name HB2 )) (( segid "A " and resid 68 and name HA )) 4.700 2.700 1.300 peak 4725 spectrum 1 weight 0.11000E+01 volume 0.55664E-03 ppm1 2.537 ppm2 3.944 CV 1 ASSI { 4728} (( segid "A " and resid 67 and name HB1 )) (( segid "A " and resid 57 and name HA )) 3.700 3.700 2.300 peak 4728 spectrum 1 weight 0.11000E+01 volume 0.59317E-04 ppm1 2.248 ppm2 3.903 CV 1 ASSI { 4730} (( segid "A " and resid 67 and name HB1 )) (( segid "A " and resid 57 and name HN )) 4.500 2.600 1.500 peak 4730 spectrum 1 weight 0.11000E+01 volume 0.91576E-04 ppm1 2.286 ppm2 8.040 CV 1 ASSI { 4732} (( segid "A " and resid 47 and name HB1 )) (( segid "A " and resid 48 and name HN )) 4.100 2.100 1.900 peak 4732 spectrum 1 weight 0.11000E+01 volume 0.44071E-03 ppm1 2.104 ppm2 8.195 CV 1 ASSI { 4734} (( segid "A " and resid 12 and name HB2 )) (( segid "A " and resid 12 and name HB1 )) 1.600 0.300 0.600 peak 4734 spectrum 1 weight 0.11000E+01 volume 0.11479E-01 ppm1 1.656 ppm2 2.106 CV 1 ASSI { 4739} (( segid "A " and resid 12 and name HB1 )) (( segid "A " and resid 12 and name HN )) 3.700 3.700 2.300 peak 4739 spectrum 1 weight 0.11000E+01 volume 0.75285E-03 ppm1 2.157 ppm2 8.084 CV 1 ASSI { 4740} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 92 and name HN )) 6.000 6.000 0.000 peak 4740 spectrum 1 weight 0.11000E+01 volume 0.71459E-04 ppm1 0.155 ppm2 7.857 CV 1 ASSI { 4743} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 95 and name HA2 )) 3.900 3.900 2.100 peak 4743 spectrum 1 weight 0.11000E+01 volume 0.41132E-04 ppm1 0.149 ppm2 3.825 CV 1 ASSI { 4744} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 98 and name HA )) 5.200 5.200 0.800 peak 4744 spectrum 1 weight 0.11000E+01 volume 0.42113E-04 ppm1 0.165 ppm2 5.132 CV 1 ASSI { 4746} (( segid "A " and resid 99 and name HG11)) (( segid "A " and resid 132 and name HE22)) 6.000 6.000 0.000 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.35716E-04 ppm1 0.176 ppm2 5.757 CV 1 ASSI { 4747} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 137 and name HB1 )) 6.000 4.900 0.000 peak 4747 spectrum 1 weight 0.11000E+01 volume 0.15628E-03 ppm1 2.989 ppm2 2.106 CV 1 ASSI { 4752} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 12 and name HA )) 6.000 6.000 0.000 peak 4752 spectrum 1 weight 0.11000E+01 volume 0.52511E-04 ppm1 1.032 ppm2 4.374 CV 1 ASSI { 4755} ( segid "A " and resid 15 and name HD1%) (( segid "A " and resid 18 and name HN )) 6.000 6.000 0.000 peak 4755 spectrum 1 weight 0.11000E+01 volume 0.75841E-04 ppm1 1.023 ppm2 7.758 CV 1 ASSI { 4758} ( segid "A " and resid 73 and name HG2%) (( segid "A " and resid 74 and name HN )) 6.000 5.100 0.000 peak 4758 spectrum 1 weight 0.11000E+01 volume 0.12201E-03 ppm1 0.724 ppm2 7.720 CV 1 ASSI { 4759} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 135 and name HD% ) 6.000 6.000 0.000 peak 4759 spectrum 1 weight 0.11000E+01 volume 0.12356E-03 ppm1 0.995 ppm2 6.465 CV 1 ASSI { 4764} ( segid "A " and resid 12 and name HD1%) (( segid "A " and resid 72 and name HB )) 3.600 1.700 1.700 peak 4764 spectrum 1 weight 0.11000E+01 volume 0.15511E-02 ppm1 0.931 ppm2 4.017 CV 1 ASSI { 4766} ( segid "A " and resid 12 and name HD1%) (( segid "A " and resid 12 and name HG )) 2.300 0.700 0.700 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.69819E-02 ppm1 0.926 ppm2 1.660 CV 1 OR { 4766} ( segid "A " and resid 12 and name HD1%) (( segid "A " and resid 12 and name HB2 )) ASSI { 4769} ( segid "A " and resid 12 and name HD1%) (( segid "A " and resid 12 and name HA )) 3.900 1.900 1.900 peak 4769 spectrum 1 weight 0.11000E+01 volume 0.31483E-03 ppm1 0.931 ppm2 4.342 CV 1 ASSI { 4771} ( segid "A " and resid 12 and name HD1%) (( segid "A " and resid 15 and name HB1 )) 3.400 1.400 1.400 peak 4771 spectrum 1 weight 0.11000E+01 volume 0.15889E-02 ppm1 0.932 ppm2 1.848 CV 1 ASSI { 4772} (( segid "A " and resid 42 and name HB2 )) (( segid "A " and resid 37 and name HA )) 6.000 4.900 0.000 peak 4772 spectrum 1 weight 0.11000E+01 volume 0.12206E-03 ppm1 2.312 ppm2 4.185 CV 1 ASSI { 4774} (( segid "A " and resid 137 and name HB1 )) ( segid "A " and resid 125 and name HG2%) 4.700 2.700 1.300 peak 4774 spectrum 1 weight 0.11000E+01 volume 0.19066E-03 ppm1 2.044 ppm2 0.924 CV 1 ASSI { 4775} (( segid "A " and resid 137 and name HB1 )) (( segid "A " and resid 133 and name HG11)) 3.300 3.300 2.700 peak 4775 spectrum 1 weight 0.11000E+01 volume 0.10516E-03 ppm1 2.042 ppm2 1.040 CV 1 ASSI { 4779} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 27 and name HA )) 4.700 2.700 1.300 peak 4779 spectrum 1 weight 0.11000E+01 volume 0.84662E-04 ppm1 2.374 ppm2 5.016 CV 1 ASSI { 4780} (( segid "A " and resid 17 and name HB2 )) (( segid "A " and resid 25 and name HA1 )) 5.200 3.400 0.800 peak 4780 spectrum 1 weight 0.11000E+01 volume 0.32226E-03 ppm1 1.899 ppm2 3.722 CV 1 ASSI { 4787} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 84 and name HB2 )) 3.600 3.600 2.400 peak 4787 spectrum 1 weight 0.11000E+01 volume 0.61631E-04 ppm1 3.870 ppm2 1.916 CV 1 ASSI { 4788} ( segid "A " and resid 39 and name HG1%) (( segid "A " and resid 36 and name HB2 )) 4.700 2.700 1.300 peak 4788 spectrum 1 weight 0.10000E+01 volume 0.13323E-03 ppm1 0.833 ppm2 1.810 CV 1 ASSI { 4789} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 72 and name HN )) 5.700 5.700 0.300 peak 4789 spectrum 1 weight 0.11000E+01 volume 0.19682E-03 ppm1 1.780 ppm2 7.566 CV 1 ASSI { 4791} (( segid "A " and resid 121 and name HG2 )) (( segid "A " and resid 105 and name HE21)) 6.000 6.000 0.000 peak 4791 spectrum 1 weight 0.11000E+01 volume 0.51749E-04 ppm1 2.437 ppm2 6.789 CV 1 ASSI { 4794} (( segid "A " and resid 111 and name HB1 )) (( segid "A " and resid 111 and name HB2 )) 1.500 0.300 0.700 peak 4794 spectrum 1 weight 0.10000E+01 volume 0.21182E-01 ppm1 3.289 ppm2 3.123 CV 1 ASSI { 4795} ( segid "A " and resid 107 and name HB% ) ( segid "A " and resid 90 and name HE% ) 3.700 3.700 2.300 peak 4795 spectrum 1 weight 0.11000E+01 volume 0.51585E-04 ppm1 1.415 ppm2 6.060 CV 1 ASSI { 4796} ( segid "A " and resid 107 and name HB% ) (( segid "A " and resid 108 and name HB1 )) 5.400 3.600 0.600 peak 4796 spectrum 1 weight 0.11000E+01 volume 0.12696E-03 ppm1 1.428 ppm2 2.914 CV 1 ASSI { 4798} ( segid "A " and resid 107 and name HB% ) (( segid "A " and resid 91 and name HB1 )) 4.900 3.000 1.100 peak 4798 spectrum 1 weight 0.11000E+01 volume 0.12925E-03 ppm1 1.441 ppm2 2.611 CV 1 ASSI { 4804} (( segid "A " and resid 110 and name HB2 )) ( segid "A " and resid 111 and name HD% ) 6.000 6.000 0.000 peak 4804 spectrum 1 weight 0.11000E+01 volume 0.20934E-04 ppm1 2.724 ppm2 7.300 CV 1 ASSI { 4805} (( segid "A " and resid 94 and name HB2 )) (( segid "A " and resid 96 and name HB2 )) 6.000 6.000 0.000 peak 4805 spectrum 1 weight 0.11000E+01 volume 0.40778E-04 ppm1 2.740 ppm2 4.045 CV 1 ASSI { 4812} (( segid "A " and resid 68 and name HA )) ( segid "A " and resid 16 and name HD% ) 6.000 6.000 0.000 peak 4812 spectrum 1 weight 0.11000E+01 volume 0.39609E-04 ppm1 3.972 ppm2 6.545 CV 1 ASSI { 4815} ( segid "A " and resid 113 and name HD2%) (( segid "A " and resid 105 and name HE22)) 6.000 5.200 0.000 peak 4815 spectrum 1 weight 0.11000E+01 volume 0.96721E-04 ppm1 0.718 ppm2 7.510 CV 1 ASSI { 4819} ( segid "A " and resid 113 and name HD2%) (( segid "A " and resid 113 and name HN )) 6.000 5.700 0.000 peak 4819 spectrum 1 weight 0.10000E+01 volume 0.43474E-04 ppm1 0.689 ppm2 7.963 CV 1 ASSI { 4823} ( segid "A " and resid 139 and name HB% ) ( segid "A " and resid 135 and name HD% ) 4.000 4.000 2.000 peak 4823 spectrum 1 weight 0.11000E+01 volume 0.35660E-04 ppm1 1.172 ppm2 6.452 CV 1 ASSI { 4824} ( segid "A " and resid 139 and name HB% ) ( segid "A " and resid 88 and name HE% ) 3.500 3.500 2.500 peak 4824 spectrum 1 weight 0.11000E+01 volume 0.73037E-04 ppm1 1.182 ppm2 7.125 CV 1 ASSI { 4825} ( segid "A " and resid 139 and name HB% ) (( segid "A " and resid 141 and name HN )) 6.000 6.000 0.000 peak 4825 spectrum 1 weight 0.11000E+01 volume 0.35688E-04 ppm1 1.181 ppm2 7.451 CV 1 ASSI { 4826} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 67 and name HN )) 6.000 6.000 0.000 peak 4826 spectrum 1 weight 0.11000E+01 volume 0.13696E-03 ppm1 5.186 ppm2 8.469 CV 1 ASSI { 4828} ( segid "A " and resid 118 and name HG2%) (( segid "A " and resid 121 and name HG2 )) 6.000 6.000 0.000 peak 4828 spectrum 1 weight 0.11000E+01 volume 0.62802E-04 ppm1 0.957 ppm2 2.415 CV 1 ASSI { 4844} (( segid "A " and resid 15 and name HG )) (( segid "A " and resid 16 and name HN )) 6.000 4.500 0.000 peak 4844 spectrum 1 weight 0.11000E+01 volume 0.90268E-04 ppm1 1.765 ppm2 8.397 CV 1 ASSI { 4856} (( segid "A " and resid 69 and name HB )) ( segid "A " and resid 65 and name HE% ) 6.000 6.000 0.000 peak 4856 spectrum 1 weight 0.11000E+01 volume 0.84933E-04 ppm1 1.831 ppm2 6.578 CV 1 ASSI { 4857} (( segid "A " and resid 69 and name HB )) (( segid "A " and resid 66 and name HA2 )) 4.700 2.700 1.300 peak 4857 spectrum 1 weight 0.11000E+01 volume 0.89969E-04 ppm1 1.822 ppm2 3.907 CV 1 ASSI { 4858} (( segid "A " and resid 69 and name HB )) ( segid "A " and resid 70 and name HB% ) 6.000 5.500 0.000 peak 4858 spectrum 1 weight 0.11000E+01 volume 0.83544E-04 ppm1 1.821 ppm2 1.532 CV 1 ASSI { 4867} (( segid "A " and resid 123 and name HE2 )) ( segid "A " and resid 122 and name HG2%) 3.700 1.700 1.700 peak 4867 spectrum 1 weight 0.10000E+01 volume 0.34540E-03 ppm1 3.058 ppm2 0.825 CV 1 ASSI { 4870} (( segid "A " and resid 104 and name HG12)) ( segid "A " and resid 104 and name HD1%) 2.200 2.200 3.800 peak 4870 spectrum 1 weight 0.11000E+01 volume 0.30595E-02 ppm1 1.668 ppm2 0.603 CV 1 ASSI { 4871} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 105 and name HE21)) 6.000 6.000 0.000 peak 4871 spectrum 1 weight 0.11000E+01 volume 0.39445E-04 ppm1 1.931 ppm2 6.811 CV 1 ASSI { 4873} ( segid "A " and resid 121 and name HE% ) (( segid "A " and resid 122 and name HN )) 6.000 6.000 0.000 peak 4873 spectrum 1 weight 0.11000E+01 volume 0.31223E-04 ppm1 1.932 ppm2 8.270 CV 1 ASSI { 4874} ( segid "A " and resid 121 and name HE% ) ( segid "A " and resid 91 and name HD% ) 4.500 2.500 1.500 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.83491E-04 ppm1 1.912 ppm2 7.249 CV 1 ASSI { 4882} ( segid "A " and resid 69 and name HD1%) (( segid "A " and resid 13 and name HB2 )) 3.300 3.300 2.700 peak 4882 spectrum 1 weight 0.10000E+01 volume 0.10094E-03 ppm1 0.665 ppm2 1.971 CV 1 ASSI { 4884} (( segid "A " and resid 134 and name HB1 )) ( segid "A " and resid 98 and name HE% ) 2.900 2.900 3.100 peak 4884 spectrum 1 weight 0.11000E+01 volume 0.23582E-03 ppm1 2.961 ppm2 6.826 CV 1 ASSI { 4885} (( segid "A " and resid 134 and name HB2 )) ( segid "A " and resid 88 and name HE% ) 6.000 6.000 0.000 peak 4885 spectrum 1 weight 0.11000E+01 volume 0.53057E-04 ppm1 3.170 ppm2 7.043 CV 1 ASSI { 4887} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 98 and name HB2 )) 4.200 2.200 1.800 peak 4887 spectrum 1 weight 0.11000E+01 volume 0.22748E-02 ppm1 5.254 ppm2 2.599 CV 1 ASSI { 4890} (( segid "A " and resid 65 and name HB2 )) (( segid "A " and resid 64 and name HA )) 6.000 6.000 0.000 peak 4890 spectrum 1 weight 0.11000E+01 volume 0.43963E-04 ppm1 2.576 ppm2 5.293 CV 1 ASSI { 4892} (( segid "A " and resid 65 and name HB2 )) ( segid "A " and resid 16 and name HE% ) 4.600 2.600 1.400 peak 4892 spectrum 1 weight 0.11000E+01 volume 0.10606E-03 ppm1 2.561 ppm2 6.987 CV 1 ASSI { 4895} (( segid "A " and resid 135 and name HB1 )) (( segid "A " and resid 138 and name HN )) 6.000 6.000 0.000 peak 4895 spectrum 1 weight 0.11000E+01 volume 0.59617E-04 ppm1 2.068 ppm2 8.748 CV 1 ASSI { 4896} (( segid "A " and resid 134 and name HB2 )) (( segid "A " and resid 136 and name HA2 )) 6.000 6.000 0.000 peak 4896 spectrum 1 weight 0.11000E+01 volume 0.96284E-04 ppm1 3.222 ppm2 3.673 CV 1 ASSI { 4901} (( segid "A " and resid 97 and name HA2 )) (( segid "A " and resid 135 and name HB2 )) 4.800 2.900 1.200 peak 4901 spectrum 1 weight 0.11000E+01 volume 0.67811E-04 ppm1 4.234 ppm2 2.435 CV 1 ASSI { 4903} (( segid "A " and resid 97 and name HA1 )) (( segid "A " and resid 92 and name HB1 )) 6.000 6.000 0.000 peak 4903 spectrum 1 weight 0.10000E+01 volume 0.20172E-04 ppm1 3.516 ppm2 2.337 CV 1 ASSI { 4912} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 67 and name HG2 )) 3.500 3.500 2.500 peak 4912 spectrum 1 weight 0.11000E+01 volume 0.71866E-04 ppm1 1.507 ppm2 2.378 CV 1 ASSI { 4913} ( segid "A " and resid 70 and name HB% ) (( segid "A " and resid 67 and name HG1 )) 3.500 3.500 2.500 peak 4913 spectrum 1 weight 0.11000E+01 volume 0.73283E-04 ppm1 1.509 ppm2 2.942 CV 1 ASSI { 4915} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 90 and name HB2 )) 6.000 6.000 0.000 peak 4915 spectrum 1 weight 0.11000E+01 volume 0.82292E-04 ppm1 3.916 ppm2 3.051 CV 1 ASSI { 4917} (( segid "A " and resid 91 and name HA )) ( segid "A " and resid 91 and name HD% ) 5.300 3.600 0.700 peak 4917 spectrum 1 weight 0.11000E+01 volume 0.11496E-03 ppm1 3.925 ppm2 7.250 CV 1 ASSI { 4919} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HN )) 4.600 2.600 1.400 peak 4919 spectrum 1 weight 0.11000E+01 volume 0.13562E-03 ppm1 3.143 ppm2 7.750 CV 1 ASSI { 4920} (( segid "A " and resid 90 and name HB2 )) ( segid "A " and resid 90 and name HE% ) 6.000 6.000 0.000 peak 4920 spectrum 1 weight 0.11000E+01 volume 0.73174E-04 ppm1 3.090 ppm2 6.058 CV 1 ASSI { 4921} (( segid "A " and resid 132 and name HB2 )) ( segid "A " and resid 98 and name HD% ) 6.000 6.000 0.000 peak 4921 spectrum 1 weight 0.11000E+01 volume 0.62774E-04 ppm1 1.875 ppm2 6.943 CV 1 OR { 4921} (( segid "A " and resid 132 and name HB1 )) ( segid "A " and resid 98 and name HD% ) ASSI { 4924} (( segid "A " and resid 54 and name HA )) ( segid "A " and resid 90 and name HE% ) 4.000 4.000 2.000 peak 4924 spectrum 1 weight 0.11000E+01 volume 0.36014E-04 ppm1 4.063 ppm2 6.000 CV 1 ASSI { 4932} (( segid "A " and resid 93 and name HG1 )) ( segid "A " and resid 90 and name HE% ) 6.000 6.000 0.000 peak 4932 spectrum 1 weight 0.11000E+01 volume 0.51749E-04 ppm1 1.491 ppm2 6.067 CV 1 ASSI { 4940} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 117 and name HD2 )) 5.400 5.400 0.600 peak 4940 spectrum 1 weight 0.11000E+01 volume 0.10728E-03 ppm1 3.844 ppm2 6.215 CV 1 ASSI { 4945} (( segid "A " and resid 44 and name HB1 )) (( segid "A " and resid 45 and name HA )) 6.000 6.000 0.000 peak 4945 spectrum 1 weight 0.11000E+01 volume 0.61876E-04 ppm1 2.374 ppm2 3.884 CV 1 ASSI { 4946} (( segid "A " and resid 44 and name HB2 )) ( segid "A " and resid 48 and name HD1%) 6.000 6.000 0.000 peak 4946 spectrum 1 weight 0.11000E+01 volume 0.76058E-04 ppm1 2.087 ppm2 0.788 CV 1 ASSI { 4954} ( segid "A " and resid 44 and name HE% ) (( segid "A " and resid 44 and name HG2 )) 6.000 5.600 0.000 peak 4954 spectrum 1 weight 0.11000E+01 volume 0.43065E-04 ppm1 2.164 ppm2 2.841 CV 1 ASSI { 4958} (( segid "A " and resid 138 and name HA )) (( segid "A " and resid 137 and name HB2 )) 6.000 5.500 0.000 peak 4958 spectrum 1 weight 0.11000E+01 volume 0.40426E-04 ppm1 3.920 ppm2 2.595 CV 1 ASSI { 4959} (( segid "A " and resid 46 and name HB2 )) (( segid "A " and resid 49 and name HB1 )) 4.800 2.800 1.200 peak 4959 spectrum 1 weight 0.11000E+01 volume 0.59157E-03 ppm1 3.931 ppm2 1.869 CV 1 ASSI { 4961} (( segid "A " and resid 46 and name HB1 )) (( segid "A " and resid 47 and name HN )) 3.700 1.700 1.700 peak 4961 spectrum 1 weight 0.11000E+01 volume 0.93823E-03 ppm1 3.986 ppm2 7.048 CV 1 ASSI { 4962} (( segid "A " and resid 46 and name HA )) ( segid "A " and resid 48 and name HD1%) 6.000 6.000 0.000 peak 4962 spectrum 1 weight 0.11000E+01 volume 0.18811E-04 ppm1 4.136 ppm2 0.767 CV 1 OR { 4962} (( segid "A " and resid 46 and name HA )) ( segid "A " and resid 48 and name HG2%) ASSI { 4975} (( segid "A " and resid 49 and name HD1 )) ( segid "A " and resid 90 and name HE% ) 5.200 5.200 0.800 peak 4975 spectrum 1 weight 0.11000E+01 volume 0.86676E-04 ppm1 1.332 ppm2 6.087 CV 1 ASSI { 4976} (( segid "A " and resid 49 and name HD1 )) (( segid "A " and resid 49 and name HN )) 6.000 6.000 0.000 peak 4976 spectrum 1 weight 0.11000E+01 volume 0.53110E-04 ppm1 1.330 ppm2 8.312 CV 1 ASSI { 4977} (( segid "A " and resid 49 and name HD1 )) ( segid "A " and resid 49 and name HZ% ) 6.000 5.500 0.000 peak 4977 spectrum 1 weight 0.10000E+01 volume 0.30244E-04 ppm1 1.341 ppm2 7.288 CV 1 ASSI { 4983} (( segid "A " and resid 49 and name HD1 )) (( segid "A " and resid 49 and name HB1 )) 4.800 2.900 1.200 peak 4983 spectrum 1 weight 0.11000E+01 volume 0.19061E-03 ppm1 1.336 ppm2 1.873 CV 1 ASSI { 4990} (( segid "A " and resid 102 and name HB2 )) (( segid "A " and resid 100 and name HB )) 6.000 6.000 0.000 peak 4990 spectrum 1 weight 0.11000E+01 volume 0.47122E-04 ppm1 2.676 ppm2 4.769 CV 1 ASSI { 4993} (( segid "A " and resid 110 and name HB2 )) (( segid "A " and resid 110 and name HN )) 5.100 3.200 0.900 peak 4993 spectrum 1 weight 0.10000E+01 volume 0.10823E-03 ppm1 2.688 ppm2 8.803 CV 1 ASSI { 4998} (( segid "A " and resid 111 and name HB1 )) (( segid "A " and resid 108 and name HA )) 6.000 6.000 0.000 peak 4998 spectrum 1 weight 0.11000E+01 volume 0.29155E-04 ppm1 3.287 ppm2 5.305 CV 1 ASSI { 5000} (( segid "A " and resid 108 and name HB1 )) (( segid "A " and resid 109 and name HN )) 6.000 6.000 0.000 peak 5000 spectrum 1 weight 0.11000E+01 volume 0.19300E-04 ppm1 2.877 ppm2 7.734 CV 1 ASSI { 5004} (( segid "A " and resid 105 and name HB2 )) (( segid "A " and resid 105 and name HE22)) 6.000 4.700 0.000 peak 5004 spectrum 1 weight 0.11000E+01 volume 0.20689E-03 ppm1 2.134 ppm2 7.508 CV 1 ASSI { 5008} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 90 and name HD% ) 3.300 3.300 2.700 peak 5008 spectrum 1 weight 0.11000E+01 volume 0.11041E-03 ppm1 4.235 ppm2 6.503 CV 1 ASSI { 5009} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 91 and name HE% ) 6.000 6.000 0.000 peak 5009 spectrum 1 weight 0.11000E+01 volume 0.59317E-04 ppm1 4.255 ppm2 6.598 CV 1 ASSI { 5011} (( segid "A " and resid 49 and name HE2 )) ( segid "A " and resid 90 and name HD% ) 3.800 3.800 2.200 peak 5011 spectrum 1 weight 0.11000E+01 volume 0.44590E-04 ppm1 2.780 ppm2 6.534 CV 1 ASSI { 5015} (( segid "A " and resid 151 and name HG11)) (( segid "A " and resid 152 and name HA2 )) 4.600 4.600 1.400 peak 5015 spectrum 1 weight 0.11000E+01 volume 0.74491E-03 ppm1 1.464 ppm2 3.946 CV 1 ASSI { 5023} (( segid "A " and resid 151 and name HB )) (( segid "A " and resid 151 and name HG12)) 4.000 2.000 2.000 peak 5023 spectrum 1 weight 0.11000E+01 volume 0.68327E-03 ppm1 1.913 ppm2 1.186 CV 1 ASSI { 5024} (( segid "A " and resid 151 and name HB )) (( segid "A " and resid 151 and name HG11)) 3.100 1.200 1.200 peak 5024 spectrum 1 weight 0.11000E+01 volume 0.12164E-02 ppm1 1.901 ppm2 1.450 CV 1 ASSI { 5025} ( segid "A " and resid 151 and name HG2%) (( segid "A " and resid 152 and name HA2 )) 4.600 4.600 1.400 peak 5025 spectrum 1 weight 0.11000E+01 volume 0.63008E-03 ppm1 0.911 ppm2 3.952 CV 1 ASSI { 5026} ( segid "A " and resid 151 and name HG2%) (( segid "A " and resid 152 and name HN )) 5.700 5.700 0.300 peak 5026 spectrum 1 weight 0.11000E+01 volume 0.48728E-04 ppm1 0.923 ppm2 8.438 CV 1
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