NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26205 | 2kg9 | 16199 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB2 )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 2.755 ppm2 2.338 CV 1 OR { 2} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB1 )) ASSI { 3} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 1.500 0.300 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16788E-01 ppm1 2.083 ppm2 2.540 CV 1 ASSI { 5} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB1 )) 1.600 0.300 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.18475E-01 ppm1 1.874 ppm2 2.074 CV 1 ASSI { 6} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HG11)) 1.600 0.300 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11498E-01 ppm1 1.284 ppm2 1.746 CV 1 ASSI { 10} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 2.100 0.500 0.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42708E-02 ppm1 2.194 ppm2 1.859 CV 1 ASSI { 12} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG11)) 2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.30863E-02 ppm1 2.452 ppm2 1.839 CV 1 ASSI { 14} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.64329E-02 ppm1 4.370 ppm2 2.145 CV 1 ASSI { 21} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.65645E-02 ppm1 4.368 ppm2 2.260 CV 1 ASSI { 25} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.25238E-02 ppm1 3.543 ppm2 1.181 CV 1 ASSI { 27} (( segid " " and resid 72 and name HA )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.85831E-03 ppm1 3.621 ppm2 1.137 CV 1 ASSI { 28} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HG )) 4.600 2.700 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.45755E-03 ppm1 3.625 ppm2 1.221 CV 1 ASSI { 32} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.32498E-02 ppm1 1.183 ppm2 4.450 CV 1 ASSI { 33} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 4.000 2.000 2.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.14977E-02 ppm1 1.182 ppm2 4.299 CV 1 ASSI { 45} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.100 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.79453E-02 ppm1 1.184 ppm2 2.394 CV 1 ASSI { 48} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HA )) 4.300 2.300 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.32220E-03 ppm1 1.183 ppm2 5.265 CV 1 ASSI { 49} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.26476E-02 ppm1 1.184 ppm2 6.943 CV 1 ASSI { 50} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HD% ) 3.400 1.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12803E-02 ppm1 1.183 ppm2 7.146 CV 1 ASSI { 52} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.100 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.71266E-02 ppm1 1.184 ppm2 7.469 CV 1 ASSI { 53} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HN )) 4.300 2.300 1.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.94824E-03 ppm1 1.183 ppm2 7.739 CV 1 ASSI { 54} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 4.400 2.400 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.67078E-03 ppm1 1.184 ppm2 7.610 CV 1 ASSI { 55} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.64437E-03 ppm1 1.183 ppm2 9.156 CV 1 ASSI { 56} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD2%) 2.800 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.30931E-02 ppm1 1.184 ppm2 0.372 CV 1 ASSI { 57} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD1%) 2.800 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.23102E-02 ppm1 1.183 ppm2 0.238 CV 1 ASSI { 58} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HG1 )) 4.800 2.900 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.43285E-03 ppm1 1.184 ppm2 2.627 CV 1 ASSI { 60} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.94588E-03 ppm1 1.134 ppm2 0.371 CV 1 ASSI { 61} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD1%) 3.800 1.800 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 1.136 ppm2 0.237 CV 1 ASSI { 67} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG1 )) 2.900 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.34786E-02 ppm1 1.127 ppm2 1.420 CV 1 ASSI { 70} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.45214E-02 ppm1 1.133 ppm2 1.701 CV 1 ASSI { 75} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12505E-01 ppm1 1.127 ppm2 2.281 CV 1 ASSI { 76} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.100 0.500 0.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10691E-01 ppm1 1.134 ppm2 2.395 CV 1 ASSI { 79} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.61446E-03 ppm1 1.124 ppm2 3.541 CV 1 ASSI { 82} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.300 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.89778E-02 ppm1 1.126 ppm2 3.945 CV 1 ASSI { 83} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.51934E-02 ppm1 1.133 ppm2 4.301 CV 1 ASSI { 84} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.300 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.75330E-02 ppm1 1.134 ppm2 4.452 CV 1 ASSI { 86} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) 2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.47002E-02 ppm1 1.134 ppm2 7.474 CV 1 ASSI { 88} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HD% ) 4.600 2.700 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.70557E-03 ppm1 1.134 ppm2 7.145 CV 1 ASSI { 89} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HE% ) 4.000 2.000 2.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.18476E-02 ppm1 1.134 ppm2 6.943 CV 1 ASSI { 90} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18608E-02 ppm1 1.133 ppm2 7.740 CV 1 ASSI { 91} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 4.700 2.700 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.27086E-03 ppm1 1.131 ppm2 7.608 CV 1 ASSI { 93} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 28 and name HN )) 3.200 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17462E-02 ppm1 1.133 ppm2 8.572 CV 1 ASSI { 94} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.74648E-02 ppm1 1.125 ppm2 8.473 CV 1 ASSI { 95} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HN )) 3.700 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.19155E-02 ppm1 1.134 ppm2 9.153 CV 1 ASSI { 96} (( segid " " and resid 73 and name HG1 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.90808E-03 ppm1 2.636 ppm2 1.123 CV 1 ASSI { 97} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB2 )) 2.900 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.32985E-02 ppm1 2.632 ppm2 2.150 CV 1 ASSI { 104} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB1 )) 1.700 0.400 0.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.67953E-02 ppm1 1.698 ppm2 2.438 CV 1 ASSI { 105} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.30377E-02 ppm1 1.698 ppm2 4.298 CV 1 ASSI { 106} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.23048E-02 ppm1 1.697 ppm2 7.737 CV 1 ASSI { 107} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 1.698 ppm2 8.742 CV 1 ASSI { 113} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 1.035 ppm2 3.881 CV 1 ASSI { 114} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.39279E-02 ppm1 0.988 ppm2 3.883 CV 1 ASSI { 115} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.300 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.66139E-02 ppm1 0.988 ppm2 2.225 CV 1 ASSI { 116} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.100 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.84317E-02 ppm1 0.980 ppm2 2.136 CV 1 ASSI { 117} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG1 )) 2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 1.035 ppm2 2.119 CV 1 OR { 117} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG2 )) ASSI { 118} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.100 0.600 0.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.92671E-02 ppm1 1.036 ppm2 2.228 CV 1 ASSI { 121} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 3.200 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.16591E-02 ppm1 1.036 ppm2 3.582 CV 1 ASSI { 123} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG1 )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.72646E-02 ppm1 3.584 ppm2 2.137 CV 1 OR { 123} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG2 )) ASSI { 126} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HD1 )) 1.500 0.300 0.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.22595E-01 ppm1 3.584 ppm2 4.025 CV 1 ASSI { 127} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.77644E-02 ppm1 3.585 ppm2 4.635 CV 1 ASSI { 128} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.86164E-03 ppm1 3.583 ppm2 4.531 CV 1 ASSI { 133} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) 3.200 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.22227E-02 ppm1 0.988 ppm2 8.234 CV 1 ASSI { 139} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HG )) 2.000 0.500 0.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.12252E-01 ppm1 0.868 ppm2 2.058 CV 1 ASSI { 141} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) 3.700 1.700 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.23904E-02 ppm1 0.870 ppm2 4.319 CV 1 ASSI { 142} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 2.100 0.500 0.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.99635E-02 ppm1 1.037 ppm2 4.321 CV 1 ASSI { 143} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 0.871 ppm2 4.227 CV 1 ASSI { 145} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 2.056 ppm2 4.316 CV 1 ASSI { 146} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.57801E-03 ppm1 2.054 ppm2 3.960 CV 1 ASSI { 149} (( segid " " and resid 52 and name HG )) ( segid " " and resid 13 and name HB% ) 2.900 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 2.062 ppm2 1.675 CV 1 ASSI { 154} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.45895E-02 ppm1 2.058 ppm2 1.036 CV 1 ASSI { 158} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.600 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.32436E-02 ppm1 2.228 ppm2 1.034 CV 1 ASSI { 159} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HB2 )) 1.600 0.300 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10209E-01 ppm1 2.228 ppm2 1.451 CV 1 ASSI { 161} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HG )) 3.100 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.18846E-02 ppm1 2.226 ppm2 2.049 CV 1 ASSI { 162} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 2.228 ppm2 3.957 CV 1 ASSI { 163} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 2.229 ppm2 4.318 CV 1 ASSI { 165} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.26447E-02 ppm1 2.228 ppm2 8.448 CV 1 ASSI { 166} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15732E-02 ppm1 2.226 ppm2 8.914 CV 1 ASSI { 168} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 2 and name HB% ) 3.100 3.100 2.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.57532E-02 ppm1 1.489 ppm2 1.655 CV 1 ASSI { 169} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HB1 )) 1.700 0.400 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13710E-01 ppm1 1.488 ppm2 1.613 CV 1 ASSI { 173} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HG )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 1.452 ppm2 2.053 CV 1 ASSI { 177} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.900 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.34044E-02 ppm1 1.430 ppm2 4.327 CV 1 ASSI { 180} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.100 1.200 1.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.37730E-02 ppm1 1.038 ppm2 7.441 CV 1 ASSI { 181} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.100 2.100 1.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.99753E-03 ppm1 1.454 ppm2 7.441 CV 1 ASSI { 183} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.24421E-02 ppm1 1.448 ppm2 8.450 CV 1 ASSI { 194} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) 2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.37527E-02 ppm1 0.807 ppm2 1.944 CV 1 ASSI { 197} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.51212E-02 ppm1 1.028 ppm2 4.635 CV 1 ASSI { 198} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) 3.200 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 1.028 ppm2 4.026 CV 1 ASSI { 200} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.43171E-02 ppm1 1.027 ppm2 3.580 CV 1 ASSI { 201} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.28354E-02 ppm1 1.027 ppm2 2.224 CV 1 ASSI { 209} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 65 and name HB% ) 2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 1.028 ppm2 1.409 CV 1 ASSI { 216} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) 3.000 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 1.029 ppm2 8.238 CV 1 ASSI { 218} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 78 and name HA )) 4.600 2.600 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.48467E-03 ppm1 1.028 ppm2 3.765 CV 1 ASSI { 221} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 1.132 ppm2 4.640 CV 1 ASSI { 222} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 3.900 1.900 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.16439E-02 ppm1 0.856 ppm2 4.634 CV 1 ASSI { 223} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HG11)) 1.600 0.300 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15773E-01 ppm1 1.133 ppm2 1.511 CV 1 ASSI { 225} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HG2%) 2.900 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 1.131 ppm2 1.021 CV 1 ASSI { 231} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 0.857 ppm2 3.754 CV 1 ASSI { 232} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD2 )) 5.200 3.400 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.50406E-03 ppm1 0.860 ppm2 3.577 CV 1 ASSI { 233} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) 3.300 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15630E-02 ppm1 0.857 ppm2 3.954 CV 1 ASSI { 235} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) 2.900 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 0.859 ppm2 2.756 CV 1 ASSI { 236} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.000 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 0.858 ppm2 2.330 CV 1 ASSI { 242} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 81 and name HB% ) 3.200 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.30380E-02 ppm1 0.856 ppm2 1.642 CV 1 ASSI { 247} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG12)) 2.000 0.500 0.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.13139E-01 ppm1 0.858 ppm2 1.127 CV 1 ASSI { 256} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG2%) 2.300 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.55761E-02 ppm1 4.429 ppm2 1.125 CV 1 ASSI { 262} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.56480E-02 ppm1 3.964 ppm2 1.129 CV 1 ASSI { 264} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.000 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 3.964 ppm2 2.208 CV 1 ASSI { 265} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.000 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 3.965 ppm2 2.022 CV 1 ASSI { 268} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.700 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.73574E-03 ppm1 3.963 ppm2 8.730 CV 1 ASSI { 271} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.400 1.400 1.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 3.967 ppm2 8.157 CV 1 ASSI { 273} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.22003E-02 ppm1 1.739 ppm2 2.205 CV 1 ASSI { 276} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HD2 )) 3.400 1.400 1.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10962E-02 ppm1 1.738 ppm2 3.303 CV 1 ASSI { 277} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 1.742 ppm2 4.248 CV 1 ASSI { 278} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 4.500 2.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.65333E-03 ppm1 1.741 ppm2 8.156 CV 1 ASSI { 279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 1.991 ppm2 8.151 CV 1 ASSI { 280} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.300 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 1.992 ppm2 4.249 CV 1 ASSI { 281} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HD2 )) 3.000 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.12904E-02 ppm1 1.991 ppm2 3.307 CV 1 ASSI { 282} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HD1 )) 3.500 1.500 1.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.90953E-03 ppm1 1.991 ppm2 3.446 CV 1 ASSI { 283} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HG2 )) 1.800 0.400 0.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.98947E-02 ppm1 1.991 ppm2 1.741 CV 1 ASSI { 284} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) 2.300 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.71073E-02 ppm1 2.040 ppm2 1.712 CV 1 OR { 284} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) ASSI { 288} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 288 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 2.206 ppm2 4.246 CV 1 ASSI { 291} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.23048E-02 ppm1 2.039 ppm2 8.152 CV 1 ASSI { 301} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 13 and name HB% ) 2.300 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.71883E-02 ppm1 1.130 ppm2 1.675 CV 1 ASSI { 309} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.68683E-02 ppm1 1.129 ppm2 0.768 CV 1 ASSI { 312} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.50078E-03 ppm1 1.131 ppm2 0.368 CV 1 ASSI { 313} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD1%) 4.800 2.900 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.30414E-03 ppm1 1.132 ppm2 0.246 CV 1 ASSI { 317} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.58445E-03 ppm1 1.130 ppm2 6.765 CV 1 ASSI { 319} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HN )) 4.000 2.000 2.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.13516E-02 ppm1 1.128 ppm2 8.350 CV 1 ASSI { 320} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.400 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.18154E-02 ppm1 1.131 ppm2 8.731 CV 1 ASSI { 322} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.80511E-03 ppm1 4.452 ppm2 5.269 CV 1 ASSI { 323} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.44805E-02 ppm1 2.391 ppm2 4.451 CV 1 ASSI { 324} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB1 )) 5.000 3.100 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.74530E-03 ppm1 4.452 ppm2 3.007 CV 1 ASSI { 325} (( segid " " and resid 68 and name HB )) (( segid " " and resid 73 and name HG1 )) 4.300 2.300 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.42094E-03 ppm1 2.396 ppm2 2.630 CV 1 ASSI { 332} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HB2 )) 3.300 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.51300E-03 ppm1 2.386 ppm2 1.702 CV 1 ASSI { 334} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) 2.100 0.500 0.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.10301E-01 ppm1 2.391 ppm2 1.155 CV 1 OR { 334} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) ASSI { 337} (( segid " " and resid 68 and name HB )) ( segid " " and resid 45 and name HD1%) 4.800 2.800 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30526E-03 ppm1 2.400 ppm2 0.234 CV 1 ASSI { 339} (( segid " " and resid 68 and name HB )) ( segid " " and resid 35 and name HE% ) 3.500 1.600 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.45386E-03 ppm1 2.392 ppm2 6.946 CV 1 ASSI { 344} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.46840E-03 ppm1 2.391 ppm2 7.738 CV 1 ASSI { 345} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 2.900 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18358E-02 ppm1 2.392 ppm2 9.154 CV 1 ASSI { 346} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.100 0.500 0.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.11295E-01 ppm1 4.453 ppm2 9.153 CV 1 ASSI { 352} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10864E-01 ppm1 1.546 ppm2 3.957 CV 1 ASSI { 356} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD2%) 3.900 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.54343E-03 ppm1 1.547 ppm2 0.374 CV 1 ASSI { 357} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.500 2.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.23142E-03 ppm1 1.548 ppm2 0.239 CV 1 ASSI { 358} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) 2.500 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.33834E-02 ppm1 1.546 ppm2 0.857 CV 1 ASSI { 374} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.300 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.86148E-03 ppm1 1.547 ppm2 2.752 CV 1 ASSI { 376} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) 4.600 2.600 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.57543E-03 ppm1 1.547 ppm2 4.435 CV 1 ASSI { 379} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.90379E-02 ppm1 1.545 ppm2 8.731 CV 1 ASSI { 384} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.53443E-02 ppm1 1.546 ppm2 8.223 CV 1 ASSI { 386} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HN )) 4.600 2.600 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.42069E-03 ppm1 1.545 ppm2 8.922 CV 1 ASSI { 390} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 3.951 ppm2 8.472 CV 1 ASSI { 396} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.15141E-02 ppm1 3.960 ppm2 1.443 CV 1 ASSI { 397} (( segid " " and resid 49 and name HA )) ( segid " " and resid 48 and name HG2%) 3.300 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11126E-02 ppm1 3.957 ppm2 1.103 CV 1 ASSI { 402} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 3.960 ppm2 8.217 CV 1 ASSI { 403} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.700 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.32313E-02 ppm1 3.960 ppm2 8.728 CV 1 ASSI { 404} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) 3.000 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.15674E-02 ppm1 3.960 ppm2 8.456 CV 1 ASSI { 405} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.54832E-03 ppm1 3.964 ppm2 8.928 CV 1 ASSI { 418} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.40609E-02 ppm1 1.676 ppm2 4.217 CV 1 ASSI { 420} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 56 and name HE% ) 5.000 3.100 1.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.76414E-03 ppm1 1.676 ppm2 6.822 CV 1 ASSI { 421} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 421 spectrum 1 weight 0.10000E+01 volume 0.17463E-02 ppm1 1.541 ppm2 6.763 CV 1 ASSI { 422} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HD% ) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.35301E-02 ppm1 1.541 ppm2 6.988 CV 1 ASSI { 423} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.600 2.700 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.72205E-03 ppm1 1.064 ppm2 6.990 CV 1 ASSI { 424} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HE% ) 4.600 2.600 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.52997E-03 ppm1 1.064 ppm2 6.767 CV 1 ASSI { 425} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HD% ) 2.800 1.000 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10096E-02 ppm1 3.922 ppm2 6.987 CV 1 ASSI { 426} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HE% ) 3.400 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 3.921 ppm2 6.759 CV 1 ASSI { 429} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.100 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.10294E-01 ppm1 1.675 ppm2 7.718 CV 1 ASSI { 438} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD2%) 2.600 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.45003E-02 ppm1 1.643 ppm2 0.794 CV 1 ASSI { 454} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) 2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20563E-02 ppm1 0.933 ppm2 2.798 CV 1 ASSI { 466} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HG2 )) 1.700 0.300 0.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.22993E-01 ppm1 2.631 ppm2 2.397 CV 1 ASSI { 471} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG1 )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 2.472 ppm2 2.628 CV 1 ASSI { 473} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.400 1.400 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.18115E-02 ppm1 2.474 ppm2 4.248 CV 1 ASSI { 476} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.900 0.400 0.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.70917E-02 ppm1 2.465 ppm2 2.288 CV 1 ASSI { 489} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.000 0.500 0.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.56067E-02 ppm1 3.322 ppm2 2.030 CV 1 ASSI { 498} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.39252E-02 ppm1 2.349 ppm2 8.498 CV 1 ASSI { 500} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HN )) 2.200 0.600 0.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.33550E-02 ppm1 1.749 ppm2 8.296 CV 1 ASSI { 509} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 78 and name HN )) 5.100 3.300 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.15132E-03 ppm1 0.802 ppm2 8.295 CV 1 ASSI { 511} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) 4.700 2.800 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.66514E-03 ppm1 1.018 ppm2 7.830 CV 1 ASSI { 512} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 4.500 2.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.85209E-03 ppm1 1.072 ppm2 7.830 CV 1 ASSI { 516} (( segid " " and resid 68 and name HB )) ( segid " " and resid 45 and name HD2%) 4.800 2.900 1.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.42215E-03 ppm1 2.393 ppm2 0.368 CV 1 ASSI { 524} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.53812E-02 ppm1 4.241 ppm2 2.261 CV 1 ASSI { 528} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HG )) 3.600 1.700 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.17396E-02 ppm1 4.240 ppm2 0.994 CV 1 ASSI { 530} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.600 1.600 1.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19543E-02 ppm1 4.239 ppm2 1.351 CV 1 ASSI { 534} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.27749E-02 ppm1 4.239 ppm2 2.029 CV 1 ASSI { 536} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 3.100 1.200 1.200 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23105E-02 ppm1 4.241 ppm2 1.693 CV 1 ASSI { 539} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.29983E-02 ppm1 4.240 ppm2 2.437 CV 1 ASSI { 541} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD2 )) 3.900 1.900 1.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.66455E-03 ppm1 4.243 ppm2 2.838 CV 1 ASSI { 543} (( segid " " and resid 71 and name HA )) (( segid " " and resid 31 and name HA )) 5.100 3.300 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.57242E-03 ppm1 4.239 ppm2 3.333 CV 1 ASSI { 544} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.300 0.600 0.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.57548E-02 ppm1 4.239 ppm2 6.898 CV 1 ASSI { 549} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 4.235 ppm2 7.740 CV 1 ASSI { 553} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.16981E-02 ppm1 2.262 ppm2 1.352 CV 1 ASSI { 554} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG2 )) 2.700 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.14601E-02 ppm1 2.033 ppm2 1.355 CV 1 ASSI { 556} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG2%) 2.500 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 2.080 ppm2 1.028 CV 1 ASSI { 562} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.000 0.500 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13528E-01 ppm1 2.230 ppm2 1.016 CV 1 OR { 562} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG1%) ASSI { 572} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.900 0.400 0.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.46761E-02 ppm1 2.033 ppm2 2.258 CV 1 ASSI { 580} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.600 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.37692E-02 ppm1 2.284 ppm2 4.043 CV 1 ASSI { 583} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 35 and name HZ )) 4.700 2.800 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.48912E-03 ppm1 2.266 ppm2 6.913 CV 1 ASSI { 585} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 2.267 ppm2 7.325 CV 1 ASSI { 586} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HD% ) 3.700 1.700 1.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.74831E-03 ppm1 2.027 ppm2 7.322 CV 1 ASSI { 589} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.300 2.300 1.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.77741E-03 ppm1 2.266 ppm2 9.009 CV 1 ASSI { 591} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HG2 )) 1.800 0.400 0.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.67266E-02 ppm1 2.201 ppm2 1.350 CV 1 ASSI { 592} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 31 and name HD1%) 6.000 4.600 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.27051E-03 ppm1 2.191 ppm2 0.468 CV 1 ASSI { 606} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.71497E-03 ppm1 2.201 ppm2 4.238 CV 1 ASSI { 607} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD1 )) 2.800 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11731E-02 ppm1 2.208 ppm2 4.045 CV 1 ASSI { 611} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.500 1.500 1.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.56442E-03 ppm1 2.202 ppm2 6.938 CV 1 OR { 611} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) ASSI { 612} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) 4.300 2.300 1.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.39713E-03 ppm1 2.202 ppm2 6.903 CV 1 ASSI { 613} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HD% ) 3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.22042E-02 ppm1 2.204 ppm2 7.319 CV 1 ASSI { 617} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 2.800 1.000 1.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.11538E-02 ppm1 1.357 ppm2 7.323 CV 1 ASSI { 619} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 1.356 ppm2 6.940 CV 1 ASSI { 622} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HA )) 3.200 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.26844E-02 ppm1 1.373 ppm2 4.103 CV 1 ASSI { 623} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD1 )) 3.100 1.200 1.200 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 1.362 ppm2 4.067 CV 1 ASSI { 626} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.600 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 1.362 ppm2 2.845 CV 1 ASSI { 637} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HD2 )) 1.800 0.400 0.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.80801E-02 ppm1 4.049 ppm2 2.843 CV 1 ASSI { 639} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 31 and name HA )) 4.900 3.000 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.54171E-03 ppm1 4.047 ppm2 3.320 CV 1 ASSI { 642} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 1.800 0.400 0.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11556E-01 ppm1 4.026 ppm2 4.635 CV 1 ASSI { 643} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HA )) 2.300 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.32954E-02 ppm1 4.048 ppm2 4.941 CV 1 ASSI { 644} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 30 and name HD% ) 3.300 3.300 2.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.44191E-03 ppm1 4.052 ppm2 7.326 CV 1 ASSI { 645} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) 3.600 1.600 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.88076E-03 ppm1 4.049 ppm2 7.223 CV 1 ASSI { 648} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG2 )) 2.200 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.79910E-02 ppm1 4.027 ppm2 2.134 CV 1 OR { 648} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG1 )) ASSI { 652} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HD1%) 5.700 4.100 0.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.45467E-03 ppm1 4.030 ppm2 0.856 CV 1 ASSI { 654} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.90363E-03 ppm1 2.848 ppm2 1.074 CV 1 ASSI { 656} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.46240E-03 ppm1 2.842 ppm2 2.042 CV 1 ASSI { 657} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG1 )) 3.300 1.400 1.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 2.848 ppm2 2.206 CV 1 ASSI { 659} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.55277E-03 ppm1 2.850 ppm2 3.307 CV 1 ASSI { 662} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HB )) 2.600 0.800 0.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.19102E-02 ppm1 2.848 ppm2 4.623 CV 1 ASSI { 663} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.43031E-02 ppm1 2.849 ppm2 4.940 CV 1 ASSI { 664} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 32 and name HA )) 4.200 2.300 1.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.22233E-03 ppm1 2.840 ppm2 5.060 CV 1 ASSI { 667} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.21254E-03 ppm1 2.852 ppm2 7.138 CV 1 ASSI { 668} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HE% ) 4.700 2.800 1.300 peak 668 spectrum 1 weight 0.10000E+01 volume 0.42653E-03 ppm1 2.846 ppm2 6.938 CV 1 OR { 668} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HZ )) ASSI { 672} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 72 and name HN )) 3.300 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.57296E-03 ppm1 2.850 ppm2 9.008 CV 1 ASSI { 673} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 32 and name HA )) 4.800 2.900 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.41514E-03 ppm1 4.041 ppm2 5.057 CV 1 ASSI { 676} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 70 and name HG2%) 3.800 1.800 1.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.19585E-02 ppm1 4.047 ppm2 1.067 CV 1 ASSI { 679} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 30 and name HE% ) 2.000 0.500 0.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10118E-01 ppm1 7.322 ppm2 7.214 CV 1 ASSI { 686} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 29 and name HA )) 4.000 2.000 2.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.71089E-03 ppm1 7.321 ppm2 4.850 CV 1 ASSI { 687} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HA )) 4.300 2.400 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.56126E-03 ppm1 7.322 ppm2 4.749 CV 1 ASSI { 703} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 30 and name HD% ) 1.800 0.400 0.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.19194E-01 ppm1 7.227 ppm2 7.330 CV 1 OR { 703} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 30 and name HD% ) OR { 703} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HZ )) OR { 703} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HZ )) ASSI { 705} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD1%) 3.400 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.11778E-02 ppm1 7.226 ppm2 0.468 CV 1 ASSI { 706} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.84693E-03 ppm1 7.351 ppm2 2.051 CV 1 OR { 706} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) ASSI { 711} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 4.100 2.100 1.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.33240E-03 ppm1 3.312 ppm2 1.248 CV 1 ASSI { 712} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HB2 )) 4.600 2.600 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.43689E-03 ppm1 3.028 ppm2 1.254 CV 1 ASSI { 713} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB1 )) 5.500 3.800 0.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.54843E-03 ppm1 3.310 ppm2 1.792 CV 1 OR { 713} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HG )) ASSI { 714} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 5.300 3.600 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.54896E-03 ppm1 3.030 ppm2 1.806 CV 1 OR { 714} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HG )) ASSI { 715} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 1.700 0.400 0.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11673E-01 ppm1 3.308 ppm2 3.029 CV 1 ASSI { 719} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.23756E-02 ppm1 3.309 ppm2 4.750 CV 1 ASSI { 720} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.600 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.26873E-02 ppm1 3.031 ppm2 4.749 CV 1 ASSI { 721} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.38982E-02 ppm1 3.309 ppm2 7.320 CV 1 ASSI { 722} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.41832E-02 ppm1 3.032 ppm2 7.319 CV 1 ASSI { 724} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 4.600 2.600 1.400 peak 724 spectrum 1 weight 0.10000E+01 volume 0.23762E-03 ppm1 3.310 ppm2 7.533 CV 1 ASSI { 735} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB1 )) 3.000 1.100 1.100 peak 735 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 7.226 ppm2 2.265 CV 1 ASSI { 748} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 1.700 0.400 0.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.10829E-01 ppm1 3.581 ppm2 3.109 CV 1 ASSI { 754} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 69 and name HA )) 4.600 2.600 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.30381E-03 ppm1 3.111 ppm2 5.269 CV 1 ASSI { 756} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.34480E-02 ppm1 3.579 ppm2 7.145 CV 1 ASSI { 758} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.35155E-03 ppm1 3.593 ppm2 6.983 CV 1 ASSI { 760} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.41825E-02 ppm1 3.110 ppm2 7.145 CV 1 ASSI { 762} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HE% ) 4.800 2.900 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.44307E-03 ppm1 3.108 ppm2 6.945 CV 1 ASSI { 779} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 45 and name HD1%) 4.400 2.400 1.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.38292E-03 ppm1 6.949 ppm2 0.248 CV 1 ASSI { 782} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.44296E-03 ppm1 6.987 ppm2 0.370 CV 1 OR { 782} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD2%) ASSI { 787} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HB1 )) 5.700 4.100 0.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.13828E-03 ppm1 6.942 ppm2 3.582 CV 1 ASSI { 798} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 6.991 ppm2 8.043 CV 1 ASSI { 808} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 6.990 ppm2 4.592 CV 1 ASSI { 815} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12927E-02 ppm1 6.949 ppm2 4.240 CV 1 ASSI { 818} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB1 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 6.989 ppm2 3.005 CV 1 ASSI { 819} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.35444E-02 ppm1 6.989 ppm2 2.812 CV 1 ASSI { 825} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.52973E-03 ppm1 6.989 ppm2 2.447 CV 1 ASSI { 827} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB1 )) 4.400 2.500 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.50439E-03 ppm1 6.948 ppm2 2.425 CV 1 ASSI { 828} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) 2.500 0.800 0.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 6.990 ppm2 1.838 CV 1 OR { 828} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) ASSI { 834} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 6.951 ppm2 1.696 CV 1 ASSI { 840} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 68 and name HG2%) 3.900 1.900 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.59417E-03 ppm1 7.145 ppm2 1.168 CV 1 OR { 840} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 68 and name HG2%) ASSI { 841} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) 2.900 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 6.949 ppm2 1.164 CV 1 OR { 841} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) ASSI { 842} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.000 1.200 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.18708E-02 ppm1 6.990 ppm2 0.892 CV 1 OR { 842} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) ASSI { 843} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.700 1.700 1.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.97224E-03 ppm1 6.988 ppm2 0.770 CV 1 OR { 843} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) ASSI { 849} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.500 0.800 0.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.59519E-02 ppm1 4.116 ppm2 8.057 CV 1 OR { 849} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 850} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.21203E-02 ppm1 4.118 ppm2 8.148 CV 1 OR { 850} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 859} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HN )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.64453E-03 ppm1 4.384 ppm2 7.558 CV 1 ASSI { 863} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.300 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.61435E-02 ppm1 4.386 ppm2 7.142 CV 1 ASSI { 868} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 40 and name HE% ) 1.800 0.400 0.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.22313E-01 ppm1 6.990 ppm2 6.760 CV 1 ASSI { 873} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.300 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.26934E-02 ppm1 4.387 ppm2 3.587 CV 1 ASSI { 875} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.900 1.100 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.24858E-02 ppm1 4.386 ppm2 3.105 CV 1 ASSI { 878} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.41984E-03 ppm1 4.384 ppm2 2.821 CV 1 ASSI { 881} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG11)) 2.900 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.23797E-02 ppm1 4.388 ppm2 1.843 CV 1 ASSI { 885} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG12)) 1.900 0.500 0.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.47999E-02 ppm1 4.387 ppm2 1.543 CV 1 ASSI { 886} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HG )) 3.800 1.800 1.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 4.399 ppm2 1.720 CV 1 ASSI { 888} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.600 0.800 0.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.54236E-02 ppm1 4.398 ppm2 1.385 CV 1 ASSI { 894} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB1 )) 4.200 2.300 1.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.95796E-03 ppm1 6.822 ppm2 3.462 CV 1 ASSI { 895} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB2 )) 4.300 2.300 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.90089E-03 ppm1 6.822 ppm2 2.812 CV 1 ASSI { 896} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.16755E-02 ppm1 6.823 ppm2 4.320 CV 1 ASSI { 898} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HA )) 3.000 3.000 3.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.66568E-03 ppm1 6.824 ppm2 4.705 CV 1 ASSI { 901} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 2.800 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.18707E-02 ppm1 3.006 ppm2 3.579 CV 1 ASSI { 902} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.16220E-02 ppm1 2.816 ppm2 3.580 CV 1 ASSI { 903} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 1.700 0.300 0.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.12184E-01 ppm1 3.007 ppm2 2.812 CV 1 ASSI { 905} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.33460E-02 ppm1 4.595 ppm2 2.811 CV 1 ASSI { 906} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.700 0.900 0.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.23584E-02 ppm1 4.600 ppm2 2.997 CV 1 ASSI { 909} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 35 and name HD% ) 3.500 1.500 1.500 peak 909 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 3.006 ppm2 7.143 CV 1 ASSI { 910} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 35 and name HD% ) 3.500 1.500 1.500 peak 910 spectrum 1 weight 0.10000E+01 volume 0.15706E-02 ppm1 2.816 ppm2 7.148 CV 1 ASSI { 920} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.27266E-02 ppm1 2.816 ppm2 8.773 CV 1 ASSI { 924} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.000 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.17136E-02 ppm1 2.783 ppm2 4.251 CV 1 ASSI { 925} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HG11)) 2.900 1.100 1.100 peak 925 spectrum 1 weight 0.10000E+01 volume 0.53682E-03 ppm1 2.812 ppm2 1.834 CV 1 ASSI { 940} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD1%) 5.300 3.500 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.48057E-03 ppm1 2.820 ppm2 0.235 CV 1 ASSI { 944} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.59454E-02 ppm1 3.464 ppm2 7.442 CV 1 ASSI { 945} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 945 spectrum 1 weight 0.10000E+01 volume 0.54456E-02 ppm1 2.814 ppm2 7.443 CV 1 ASSI { 950} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.23879E-02 ppm1 3.465 ppm2 8.122 CV 1 ASSI { 951} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.28354E-02 ppm1 2.812 ppm2 8.121 CV 1 ASSI { 953} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 86 and name HN )) 4.400 2.400 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.61575E-03 ppm1 2.813 ppm2 7.983 CV 1 ASSI { 954} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.40261E-02 ppm1 3.465 ppm2 4.701 CV 1 ASSI { 962} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 1.700 0.300 0.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.16777E-01 ppm1 3.465 ppm2 2.813 CV 1 ASSI { 964} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD2%) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.46413E-03 ppm1 3.465 ppm2 0.640 CV 1 ASSI { 966} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD1%) 4.600 2.700 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.23720E-03 ppm1 2.807 ppm2 0.639 CV 1 OR { 966} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 973} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HA )) 2.800 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.34559E-02 ppm1 7.445 ppm2 4.704 CV 1 ASSI { 977} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 56 and name HD% ) 1.800 0.400 0.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.23101E-01 ppm1 6.823 ppm2 7.443 CV 1 ASSI { 983} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.27014E-02 ppm1 7.445 ppm2 8.125 CV 1 ASSI { 988} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB1 )) 3.000 1.200 1.200 peak 988 spectrum 1 weight 0.10000E+01 volume 0.94599E-03 ppm1 7.445 ppm2 1.892 CV 1 ASSI { 992} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB1 )) 3.200 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.98491E-03 ppm1 6.824 ppm2 1.895 CV 1 ASSI { 995} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) 3.100 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.19557E-02 ppm1 6.823 ppm2 1.384 CV 1 OR { 995} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) ASSI { 997} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.100 0.600 0.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.96091E-02 ppm1 6.822 ppm2 1.031 CV 1 OR { 997} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) ASSI { 999} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) 2.700 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.25457E-02 ppm1 6.823 ppm2 0.636 CV 1 OR { 999} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) ASSI { 1002} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HB2 )) 4.000 2.000 2.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 7.444 ppm2 1.441 CV 1 OR { 1002} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HB2 )) ASSI { 1006} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) 3.400 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.12614E-02 ppm1 7.446 ppm2 0.631 CV 1 OR { 1006} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) ASSI { 1008} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HA )) 2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.90148E-02 ppm1 1.577 ppm2 4.481 CV 1 ASSI { 1011} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HN )) 3.100 1.200 1.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 1.576 ppm2 7.976 CV 1 ASSI { 1015} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HE% ) 2.700 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.25261E-02 ppm1 1.548 ppm2 6.762 CV 1 ASSI { 1016} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 1.548 ppm2 6.986 CV 1 ASSI { 1017} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 3.300 1.400 1.400 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.17738E-02 ppm1 1.488 ppm2 7.984 CV 1 ASSI { 1019} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 3.100 1.200 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 4.232 ppm2 7.985 CV 1 ASSI { 1021} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.15057E-02 ppm1 1.487 ppm2 4.232 CV 1 ASSI { 1026} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.900 1.000 1.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 4.485 ppm2 7.852 CV 1 ASSI { 1028} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HN )) 2.300 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.89874E-02 ppm1 1.577 ppm2 7.852 CV 1 ASSI { 1034} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.800 0.900 0.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.37550E-02 ppm1 4.399 ppm2 7.779 CV 1 ASSI { 1039} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 3.000 1.100 1.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.32257E-02 ppm1 4.398 ppm2 7.849 CV 1 ASSI { 1043} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.26856E-02 ppm1 2.150 ppm2 8.243 CV 1 ASSI { 1044} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.31410E-02 ppm1 2.266 ppm2 8.243 CV 1 ASSI { 1050} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.800 1.000 1.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.32748E-02 ppm1 4.398 ppm2 2.129 CV 1 ASSI { 1052} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.45296E-02 ppm1 4.400 ppm2 2.281 CV 1 ASSI { 1053} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.200 1.200 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.20487E-02 ppm1 4.397 ppm2 2.458 CV 1 ASSI { 1054} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG1 )) 4.800 2.900 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.23417E-03 ppm1 4.403 ppm2 2.541 CV 1 ASSI { 1065} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 2.200 0.600 0.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.13310E-01 ppm1 1.613 ppm2 7.964 CV 1 ASSI { 1066} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.600 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.53908E-02 ppm1 4.295 ppm2 7.966 CV 1 ASSI { 1067} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.900 1.000 1.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.36840E-02 ppm1 4.294 ppm2 7.780 CV 1 ASSI { 1068} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.33708E-02 ppm1 1.613 ppm2 7.777 CV 1 ASSI { 1074} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.16325E-01 ppm1 1.613 ppm2 4.292 CV 1 ASSI { 1076} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 80 and name HA2 )) 2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.27866E-02 ppm1 1.613 ppm2 4.033 CV 1 ASSI { 1096} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.900 1.000 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 2.035 ppm2 4.272 CV 1 ASSI { 1098} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 2.100 0.500 0.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.11834E-01 ppm1 0.997 ppm2 4.232 CV 1 ASSI { 1099} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HN )) 3.200 1.300 1.300 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 0.995 ppm2 9.438 CV 1 ASSI { 1103} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.600 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.35541E-02 ppm1 4.235 ppm2 8.275 CV 1 ASSI { 1106} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.35171E-02 ppm1 1.858 ppm2 8.274 CV 1 ASSI { 1117} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 2.016 ppm2 4.917 CV 1 ASSI { 1118} (( segid " " and resid 82 and name HG )) (( segid " " and resid 79 and name HA )) 3.600 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.46048E-03 ppm1 1.865 ppm2 4.919 CV 1 ASSI { 1119} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.20887E-02 ppm1 0.996 ppm2 4.912 CV 1 ASSI { 1120} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 3.400 1.400 1.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.37038E-03 ppm1 0.996 ppm2 4.915 CV 1 ASSI { 1126} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.63782E-03 ppm1 1.786 ppm2 4.330 CV 1 ASSI { 1137} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.33118E-02 ppm1 4.235 ppm2 2.013 CV 1 ASSI { 1139} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB1 )) 2.100 0.500 0.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.94110E-02 ppm1 1.835 ppm2 2.033 CV 1 ASSI { 1140} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HB1 )) 2.400 0.700 0.700 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.45516E-02 ppm1 1.866 ppm2 1.985 CV 1 ASSI { 1141} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB1 )) 2.700 0.900 0.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.33832E-02 ppm1 0.998 ppm2 2.007 CV 1 ASSI { 1142} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB1 )) 2.900 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.31417E-02 ppm1 0.986 ppm2 2.037 CV 1 OR { 1142} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 1143} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB1 )) 2.900 1.000 1.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.21051E-02 ppm1 0.998 ppm2 2.014 CV 1 ASSI { 1145} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) 1.700 0.300 0.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.15340E-01 ppm1 1.570 ppm2 2.013 CV 1 ASSI { 1146} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.700 0.300 0.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10487E-01 ppm1 1.566 ppm2 2.190 CV 1 ASSI { 1147} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.25693E-02 ppm1 4.235 ppm2 1.854 CV 1 ASSI { 1150} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.35867E-02 ppm1 1.569 ppm2 1.856 CV 1 ASSI { 1151} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HG )) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.35187E-02 ppm1 0.995 ppm2 1.869 CV 1 ASSI { 1159} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD2%) 2.100 0.500 0.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.13912E-01 ppm1 4.236 ppm2 0.994 CV 1 OR { 1159} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 1171} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD1%) 2.300 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.67373E-02 ppm1 1.875 ppm2 0.996 CV 1 OR { 1171} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD2%) ASSI { 1175} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 82 and name HN )) 2.600 0.900 0.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.47936E-02 ppm1 1.639 ppm2 8.277 CV 1 ASSI { 1176} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.300 1.400 1.400 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 4.472 ppm2 8.274 CV 1 ASSI { 1178} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.600 0.900 0.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.49804E-02 ppm1 4.471 ppm2 7.605 CV 1 ASSI { 1182} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 58 and name HA )) 4.200 2.200 1.800 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.59750E-03 ppm1 1.638 ppm2 4.662 CV 1 ASSI { 1184} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.100 0.600 0.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.15716E-01 ppm1 1.639 ppm2 4.470 CV 1 ASSI { 1186} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 78 and name HA )) 2.600 0.900 0.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.34843E-02 ppm1 1.639 ppm2 3.753 CV 1 ASSI { 1199} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HN )) 4.800 2.900 1.200 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.67615E-03 ppm1 4.044 ppm2 8.904 CV 1 OR { 1199} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HN )) ASSI { 1201} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 80 and name HN )) 2.200 0.600 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.11372E-01 ppm1 4.037 ppm2 8.415 CV 1 OR { 1201} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 80 and name HN )) OR { 1201} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 80 and name HN )) OR { 1201} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 80 and name HN )) ASSI { 1203} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HN )) 3.500 1.500 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.94218E-03 ppm1 4.037 ppm2 7.965 CV 1 OR { 1203} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HN )) OR { 1203} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HN )) OR { 1203} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HN )) ASSI { 1204} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) 2.900 1.100 1.100 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 4.037 ppm2 7.609 CV 1 OR { 1204} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) OR { 1204} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HN )) OR { 1204} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HN )) ASSI { 1206} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HA )) 4.400 2.500 1.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.46193E-03 ppm1 4.040 ppm2 4.920 CV 1 OR { 1206} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HA )) ASSI { 1208} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HA )) 3.700 1.700 1.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.98502E-03 ppm1 4.036 ppm2 4.468 CV 1 OR { 1208} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HA )) ASSI { 1213} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HA )) 4.900 3.000 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.38104E-03 ppm1 4.037 ppm2 3.759 CV 1 OR { 1213} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 78 and name HA )) ASSI { 1214} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB1 )) 4.400 2.400 1.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.41722E-03 ppm1 4.041 ppm2 3.103 CV 1 OR { 1214} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB1 )) ASSI { 1215} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB2 )) 4.800 2.900 1.200 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.33210E-03 ppm1 4.037 ppm2 2.773 CV 1 OR { 1215} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB2 )) ASSI { 1225} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) 1.900 0.400 0.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.84113E-02 ppm1 2.786 ppm2 3.101 CV 1 ASSI { 1244} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.15403E-02 ppm1 3.106 ppm2 4.916 CV 1 ASSI { 1246} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.20396E-02 ppm1 2.786 ppm2 4.915 CV 1 ASSI { 1254} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD22)) 3.500 1.500 1.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23082E-02 ppm1 2.784 ppm2 7.676 CV 1 ASSI { 1268} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.900 1.000 1.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.22948E-02 ppm1 1.947 ppm2 3.752 CV 1 ASSI { 1272} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.21771E-02 ppm1 1.746 ppm2 3.750 CV 1 ASSI { 1274} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.73676E-03 ppm1 0.885 ppm2 3.895 CV 1 ASSI { 1275} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.58912E-02 ppm1 0.885 ppm2 3.751 CV 1 ASSI { 1276} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.14768E-02 ppm1 0.807 ppm2 3.906 CV 1 ASSI { 1277} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 3.600 1.700 1.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.26591E-02 ppm1 0.806 ppm2 3.751 CV 1 ASSI { 1280} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HA )) 2.500 0.800 0.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.26609E-02 ppm1 1.286 ppm2 3.752 CV 1 ASSI { 1284} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.600 2.600 1.400 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.57226E-03 ppm1 0.883 ppm2 9.436 CV 1 ASSI { 1289} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HN )) 4.000 2.000 2.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.61478E-03 ppm1 0.805 ppm2 8.891 CV 1 ASSI { 1295} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 2.300 0.700 0.700 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.52639E-02 ppm1 1.948 ppm2 8.295 CV 1 ASSI { 1296} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HN )) 5.100 3.300 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.34892E-03 ppm1 0.805 ppm2 8.452 CV 1 ASSI { 1302} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HN )) 5.600 4.000 0.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22779E-03 ppm1 0.885 ppm2 8.004 CV 1 ASSI { 1307} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.29767E-03 ppm1 0.806 ppm2 7.431 CV 1 ASSI { 1308} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.67819E-03 ppm1 0.885 ppm2 7.442 CV 1 ASSI { 1309} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HE% ) 3.300 1.400 1.400 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.38011E-03 ppm1 0.885 ppm2 6.817 CV 1 ASSI { 1310} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 0.885 ppm2 4.913 CV 1 ASSI { 1320} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.500 2.600 1.500 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.41997E-03 ppm1 0.886 ppm2 3.462 CV 1 ASSI { 1323} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.400 1.500 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.74299E-03 ppm1 0.808 ppm2 2.753 CV 1 ASSI { 1330} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.000 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.75631E-03 ppm1 0.807 ppm2 2.330 CV 1 ASSI { 1336} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 2.900 1.000 1.000 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 0.806 ppm2 2.223 CV 1 ASSI { 1343} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.200 0.600 0.600 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.59191E-02 ppm1 0.885 ppm2 1.942 CV 1 ASSI { 1345} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 3.000 1.200 1.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.19502E-02 ppm1 1.283 ppm2 1.946 CV 1 ASSI { 1350} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.300 0.700 0.700 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.38428E-02 ppm1 1.949 ppm2 1.743 CV 1 ASSI { 1356} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG11)) 3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.28823E-02 ppm1 0.884 ppm2 1.748 CV 1 ASSI { 1358} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.100 0.500 0.500 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.73848E-02 ppm1 0.806 ppm2 1.734 CV 1 ASSI { 1359} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 49 and name HB% ) 3.300 1.400 1.400 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 0.806 ppm2 1.541 CV 1 ASSI { 1370} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB2 )) 3.600 1.600 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.18635E-02 ppm1 0.885 ppm2 1.383 CV 1 ASSI { 1371} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG12)) 2.600 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.26768E-02 ppm1 0.883 ppm2 1.299 CV 1 ASSI { 1372} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 0.805 ppm2 1.462 CV 1 ASSI { 1373} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG12)) 2.200 0.600 0.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.56555E-02 ppm1 0.806 ppm2 1.283 CV 1 ASSI { 1390} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 5 and name HD1%) 5.000 3.100 1.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.46546E-03 ppm1 1.749 ppm2 0.621 CV 1 ASSI { 1401} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.100 0.500 0.500 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.90073E-02 ppm1 0.808 ppm2 0.917 CV 1 ASSI { 1407} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 5 and name HD1%) 3.400 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.21633E-02 ppm1 0.804 ppm2 0.613 CV 1 ASSI { 1417} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) 2.700 0.900 0.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.27745E-02 ppm1 1.821 ppm2 0.972 CV 1 OR { 1417} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD1%) ASSI { 1432} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.600 0.800 0.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.69279E-02 ppm1 4.281 ppm2 1.875 CV 1 ASSI { 1438} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB2 )) 2.900 1.100 1.100 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 0.971 ppm2 1.945 CV 1 OR { 1438} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB2 )) ASSI { 1445} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HB1 )) 4.700 2.700 1.300 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.51511E-03 ppm1 1.843 ppm2 3.012 CV 1 ASSI { 1466} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.55562E-02 ppm1 0.972 ppm2 4.290 CV 1 OR { 1466} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) ASSI { 1468} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 40 and name HD% ) 2.600 0.800 0.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.19732E-02 ppm1 1.840 ppm2 6.985 CV 1 ASSI { 1469} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 35 and name HD% ) 4.500 2.600 1.500 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.58928E-03 ppm1 1.836 ppm2 7.145 CV 1 ASSI { 1474} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.14165E-02 ppm1 1.837 ppm2 8.022 CV 1 ASSI { 1476} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.48069E-02 ppm1 4.287 ppm2 8.005 CV 1 ASSI { 1478} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.18767E-02 ppm1 1.929 ppm2 8.296 CV 1 ASSI { 1481} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 3.200 1.300 1.300 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.17229E-02 ppm1 4.287 ppm2 8.294 CV 1 ASSI { 1495} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HN )) 3.900 1.900 1.900 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.18822E-02 ppm1 2.721 ppm2 8.006 CV 1 ASSI { 1496} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.23172E-02 ppm1 2.723 ppm2 4.251 CV 1 ASSI { 1522} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 31 and name HD1%) 3.200 1.300 1.300 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.51604E-03 ppm1 2.190 ppm2 0.468 CV 1 ASSI { 1525} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 31 and name HD1%) 2.300 2.300 3.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.36789E-02 ppm1 0.881 ppm2 0.466 CV 1 ASSI { 1529} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.30568E-02 ppm1 0.802 ppm2 0.612 CV 1 ASSI { 1534} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD1%) 3.800 1.800 1.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.17917E-02 ppm1 3.901 ppm2 0.617 CV 1 OR { 1534} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 1537} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD1%) 3.400 1.500 1.500 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.23186E-02 ppm1 2.196 ppm2 0.808 CV 1 ASSI { 1538} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD1%) 2.100 0.500 0.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.98931E-02 ppm1 3.902 ppm2 0.805 CV 1 ASSI { 1539} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD2%) 4.000 2.000 2.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 2.197 ppm2 1.145 CV 1 ASSI { 1559} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG )) 3.000 1.100 1.100 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.27081E-02 ppm1 3.903 ppm2 1.707 CV 1 ASSI { 1560} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG )) 2.500 0.800 0.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.31612E-02 ppm1 2.190 ppm2 1.691 CV 1 ASSI { 1570} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.900 1.100 1.100 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.28840E-02 ppm1 3.902 ppm2 2.191 CV 1 ASSI { 1576} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 1.700 0.300 0.500 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.99517E-02 ppm1 1.578 ppm2 2.335 CV 1 ASSI { 1589} (( segid " " and resid 75 and name HG )) (( segid " " and resid 79 and name HB1 )) 5.000 3.100 1.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.23599E-03 ppm1 1.701 ppm2 3.098 CV 1 ASSI { 1601} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.13120E-02 ppm1 1.565 ppm2 3.618 CV 1 ASSI { 1606} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.35223E-02 ppm1 0.870 ppm2 3.943 CV 1 ASSI { 1618} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HA )) 4.300 2.300 1.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.70444E-03 ppm1 0.880 ppm2 4.494 CV 1 ASSI { 1619} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HA )) 4.700 2.800 1.300 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.58934E-03 ppm1 0.805 ppm2 4.534 CV 1 ASSI { 1628} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD21)) 3.100 1.200 1.200 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.32071E-02 ppm1 0.804 ppm2 7.364 CV 1 ASSI { 1630} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) 3.500 1.500 1.500 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 0.881 ppm2 7.358 CV 1 ASSI { 1635} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD22)) 2.900 1.000 1.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.24868E-02 ppm1 0.880 ppm2 7.677 CV 1 ASSI { 1643} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.28945E-02 ppm1 0.869 ppm2 8.443 CV 1 ASSI { 1644} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.36546E-02 ppm1 3.904 ppm2 8.742 CV 1 ASSI { 1645} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.300 0.700 0.700 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.48235E-02 ppm1 2.193 ppm2 8.729 CV 1 ASSI { 1646} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.83072E-03 ppm1 1.702 ppm2 8.728 CV 1 ASSI { 1648} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.92510E-03 ppm1 0.802 ppm2 8.737 CV 1 ASSI { 1650} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.23769E-02 ppm1 0.878 ppm2 8.728 CV 1 ASSI { 1651} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.400 0.700 0.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.42675E-02 ppm1 1.565 ppm2 8.736 CV 1 ASSI { 1659} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HN )) 4.600 2.600 1.400 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.78578E-03 ppm1 0.804 ppm2 9.444 CV 1 ASSI { 1661} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.50178E-03 ppm1 0.804 ppm2 6.760 CV 1 ASSI { 1663} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) 5.100 3.300 0.900 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.49031E-03 ppm1 0.990 ppm2 7.738 CV 1 ASSI { 1665} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HN )) 4.800 2.900 1.200 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.56104E-03 ppm1 1.068 ppm2 7.739 CV 1 OR { 1665} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HN )) ASSI { 1669} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.24361E-02 ppm1 4.304 ppm2 7.738 CV 1 ASSI { 1672} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 45 and name HD2%) 2.900 1.000 1.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.92086E-03 ppm1 1.070 ppm2 0.373 CV 1 OR { 1672} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 45 and name HD2%) ASSI { 1673} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 45 and name HD1%) 3.400 1.500 1.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.32376E-03 ppm1 1.069 ppm2 0.247 CV 1 OR { 1673} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 45 and name HD1%) ASSI { 1674} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD2%) 3.300 1.300 1.300 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.74960E-03 ppm1 0.985 ppm2 0.386 CV 1 ASSI { 1678} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.42228E-03 ppm1 1.069 ppm2 8.732 CV 1 OR { 1678} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) ASSI { 1683} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HN )) 3.900 1.900 1.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.69950E-03 ppm1 1.071 ppm2 8.298 CV 1 OR { 1683} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HN )) OR { 1683} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) OR { 1683} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) ASSI { 1684} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HN )) 4.300 2.300 1.700 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.39954E-03 ppm1 1.070 ppm2 8.008 CV 1 OR { 1684} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HN )) OR { 1684} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HN )) OR { 1684} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HN )) ASSI { 1687} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 35 and name HZ )) 2.700 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.11976E-02 ppm1 1.695 ppm2 6.912 CV 1 ASSI { 1688} (( segid " " and resid 74 and name HG )) (( segid " " and resid 35 and name HZ )) 3.200 1.300 1.300 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.17966E-02 ppm1 0.991 ppm2 6.899 CV 1 ASSI { 1689} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.700 2.800 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.52943E-03 ppm1 1.073 ppm2 6.908 CV 1 OR { 1689} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 35 and name HZ )) OR { 1689} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 35 and name HZ )) OR { 1689} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 1690} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.900 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.24384E-02 ppm1 2.440 ppm2 4.281 CV 1 ASSI { 1692} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.200 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.76055E-02 ppm1 1.071 ppm2 4.305 CV 1 OR { 1692} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 1698} (( segid " " and resid 74 and name HG )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.62370E-03 ppm1 0.989 ppm2 3.956 CV 1 ASSI { 1703} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HD1 )) 2.600 0.800 0.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.23648E-02 ppm1 0.989 ppm2 3.101 CV 1 ASSI { 1720} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB2 )) 2.100 0.600 0.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.71658E-02 ppm1 0.989 ppm2 1.701 CV 1 ASSI { 1721} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.10605E-01 ppm1 1.071 ppm2 1.705 CV 1 OR { 1721} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) ASSI { 1725} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 2.400 0.700 0.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.45447E-02 ppm1 2.438 ppm2 0.995 CV 1 ASSI { 1736} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD1%) 3.300 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.43315E-03 ppm1 0.985 ppm2 0.233 CV 1 ASSI { 1741} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 69 and name HN )) 5.300 3.500 0.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.21669E-03 ppm1 2.641 ppm2 9.156 CV 1 ASSI { 1742} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 69 and name HN )) 4.200 2.200 1.800 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.25175E-03 ppm1 2.512 ppm2 9.162 CV 1 ASSI { 1750} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.27669E-02 ppm1 2.633 ppm2 8.242 CV 1 ASSI { 1754} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) 3.800 1.800 1.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.21532E-02 ppm1 2.633 ppm2 7.839 CV 1 ASSI { 1755} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 4.200 2.200 1.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.17477E-02 ppm1 2.519 ppm2 7.836 CV 1 ASSI { 1756} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 3.000 1.100 1.100 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.21614E-02 ppm1 4.250 ppm2 7.840 CV 1 ASSI { 1759} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 3.200 1.300 1.300 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.63857E-03 ppm1 2.462 ppm2 7.746 CV 1 ASSI { 1760} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) 4.600 2.600 1.400 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.27020E-03 ppm1 2.632 ppm2 7.733 CV 1 ASSI { 1761} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name HN )) 5.100 3.300 0.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.35034E-03 ppm1 2.506 ppm2 7.733 CV 1 ASSI { 1763} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.60190E-03 ppm1 2.518 ppm2 7.489 CV 1 ASSI { 1768} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HA )) 2.900 1.100 1.100 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.26191E-02 ppm1 2.633 ppm2 4.248 CV 1 ASSI { 1769} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.700 1.700 1.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.15844E-02 ppm1 2.517 ppm2 4.248 CV 1 ASSI { 1784} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) 3.000 1.100 1.100 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 4.220 ppm2 2.630 CV 1 ASSI { 1787} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HG1 )) 1.900 0.400 0.400 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.10396E-01 ppm1 2.515 ppm2 2.630 CV 1 ASSI { 1799} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 13 and name HB% ) 4.700 2.700 1.300 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.43267E-03 ppm1 2.634 ppm2 1.693 CV 1 ASSI { 1804} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.72699E-03 ppm1 2.515 ppm2 1.121 CV 1 ASSI { 1806} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.50633E-03 ppm1 2.290 ppm2 9.151 CV 1 ASSI { 1810} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.300 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.14860E-02 ppm1 2.475 ppm2 1.131 CV 1 ASSI { 1811} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.23678E-02 ppm1 2.291 ppm2 1.132 CV 1 ASSI { 1816} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD1%) 2.500 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.42598E-02 ppm1 3.621 ppm2 0.468 CV 1 ASSI { 1818} (( segid " " and resid 72 and name HD1 )) ( segid " " and resid 31 and name HD1%) 5.200 3.400 0.800 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.21040E-03 ppm1 3.504 ppm2 0.474 CV 1 ASSI { 1819} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD2%) 3.100 1.200 1.200 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 3.620 ppm2 0.885 CV 1 ASSI { 1825} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) 2.300 0.700 0.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.52731E-02 ppm1 3.621 ppm2 1.643 CV 1 OR { 1825} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1835} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG2 )) 2.800 1.000 1.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.30092E-02 ppm1 1.599 ppm2 0.993 CV 1 ASSI { 1836} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG2 )) 2.900 1.000 1.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.25114E-02 ppm1 1.897 ppm2 0.996 CV 1 ASSI { 1839} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HG2%) 3.700 1.700 1.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 1.510 ppm2 1.017 CV 1 ASSI { 1841} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) 2.400 0.700 0.700 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.44634E-02 ppm1 3.505 ppm2 1.655 CV 1 ASSI { 1842} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG2 )) 2.900 1.000 1.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.24905E-02 ppm1 3.504 ppm2 1.530 CV 1 ASSI { 1843} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.700 1.700 1.700 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 3.505 ppm2 1.869 CV 1 ASSI { 1847} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG1 )) 2.900 1.000 1.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 3.035 ppm2 1.653 CV 1 ASSI { 1848} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG2 )) 2.600 0.900 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.26536E-02 ppm1 3.032 ppm2 1.530 CV 1 ASSI { 1849} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB1 )) 2.900 1.100 1.100 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 3.033 ppm2 1.871 CV 1 ASSI { 1850} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HG11)) 1.600 0.300 0.600 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.10988E-01 ppm1 1.542 ppm2 1.840 CV 1 ASSI { 1851} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HB1 )) 3.400 1.500 1.500 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 1.656 ppm2 1.890 CV 1 ASSI { 1856} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HB2 )) 5.000 3.100 1.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.34619E-03 ppm1 3.620 ppm2 2.295 CV 1 ASSI { 1857} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.30541E-02 ppm1 3.620 ppm2 2.189 CV 1 ASSI { 1859} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.800 1.000 1.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.40364E-02 ppm1 3.621 ppm2 1.870 CV 1 ASSI { 1864} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HD2 )) 1.700 0.400 0.500 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.13706E-01 ppm1 3.503 ppm2 3.032 CV 1 ASSI { 1875} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD2 )) 4.500 2.500 1.500 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.63111E-03 ppm1 3.621 ppm2 3.023 CV 1 ASSI { 1880} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD1 )) 3.800 1.900 1.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.10397E-02 ppm1 3.620 ppm2 3.497 CV 1 ASSI { 1885} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 1.615 ppm2 3.619 CV 1 ASSI { 1886} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD1 )) 4.000 2.000 2.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.66423E-03 ppm1 1.614 ppm2 3.506 CV 1 ASSI { 1887} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 1.664 ppm2 3.622 CV 1 ASSI { 1889} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.17280E-02 ppm1 1.527 ppm2 3.619 CV 1 ASSI { 1901} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.300 1.400 1.400 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.59062E-03 ppm1 1.861 ppm2 4.733 CV 1 ASSI { 1903} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.700 2.800 1.300 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.49563E-03 ppm1 1.600 ppm2 6.819 CV 1 ASSI { 1909} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.500 2.500 1.500 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.99914E-03 ppm1 1.598 ppm2 7.442 CV 1 ASSI { 1911} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH12)) 4.900 3.000 1.100 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.84758E-03 ppm1 1.523 ppm2 6.907 CV 1 OR { 1911} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH22)) OR { 1911} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH11)) OR { 1911} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH21)) ASSI { 1912} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.96285E-03 ppm1 1.544 ppm2 6.980 CV 1 ASSI { 1913} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH12)) 2.700 0.900 0.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.39019E-02 ppm1 3.505 ppm2 6.911 CV 1 OR { 1913} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH11)) OR { 1913} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH22)) ASSI { 1914} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH12)) 2.900 1.000 1.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 3.034 ppm2 6.908 CV 1 OR { 1914} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH11)) OR { 1914} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH22)) ASSI { 1917} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.92054E-03 ppm1 3.623 ppm2 7.837 CV 1 ASSI { 1920} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.47206E-02 ppm1 1.895 ppm2 8.139 CV 1 ASSI { 1922} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.39109E-02 ppm1 1.602 ppm2 8.138 CV 1 ASSI { 1924} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 3.622 ppm2 8.734 CV 1 ASSI { 1926} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.29150E-02 ppm1 3.620 ppm2 9.007 CV 1 ASSI { 1927} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HE )) 4.100 2.100 1.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 1.872 ppm2 9.084 CV 1 ASSI { 1935} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.29980E-02 ppm1 3.504 ppm2 9.089 CV 1 ASSI { 1936} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HE )) 2.500 0.800 0.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.42611E-02 ppm1 3.031 ppm2 9.088 CV 1 ASSI { 1939} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.500 0.800 0.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.46986E-02 ppm1 1.076 ppm2 4.939 CV 1 ASSI { 1940} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HA )) 3.000 3.000 3.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.68614E-03 ppm1 1.074 ppm2 5.272 CV 1 ASSI { 1941} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.21894E-02 ppm1 1.076 ppm2 5.056 CV 1 ASSI { 1942} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HB )) 2.300 0.700 0.700 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.68560E-02 ppm1 1.076 ppm2 4.622 CV 1 ASSI { 1943} (( segid " " and resid 70 and name HB )) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.30363E-02 ppm1 4.623 ppm2 4.948 CV 1 ASSI { 1944} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.600 0.800 0.800 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.47249E-02 ppm1 1.075 ppm2 4.732 CV 1 ASSI { 1951} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG1 )) 3.000 1.100 1.100 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.18891E-02 ppm1 1.077 ppm2 1.950 CV 1 ASSI { 1952} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HB1 )) 4.800 2.900 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.56561E-03 ppm1 1.059 ppm2 1.994 CV 1 ASSI { 1957} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB1 )) 3.000 1.200 1.200 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.25169E-02 ppm1 1.076 ppm2 3.012 CV 1 ASSI { 1958} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD1 )) 3.200 3.200 2.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.54569E-03 ppm1 1.077 ppm2 3.458 CV 1 ASSI { 1965} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.400 2.400 1.600 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.31704E-03 ppm1 1.073 ppm2 7.215 CV 1 ASSI { 1966} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.25041E-02 ppm1 1.072 ppm2 7.488 CV 1 ASSI { 1970} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 4.600 2.700 1.400 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.66176E-03 ppm1 1.073 ppm2 9.148 CV 1 ASSI { 1971} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HN )) 5.200 3.400 0.800 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.31837E-03 ppm1 1.076 ppm2 9.016 CV 1 ASSI { 1974} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 3.000 1.100 1.100 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.35205E-02 ppm1 2.878 ppm2 5.271 CV 1 ASSI { 1976} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.22723E-02 ppm1 2.877 ppm2 9.155 CV 1 ASSI { 1977} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.900 1.000 1.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.24296E-02 ppm1 5.276 ppm2 9.156 CV 1 ASSI { 1981} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.500 1.500 1.500 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 5.272 ppm2 7.492 CV 1 ASSI { 1982} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 56 and name HE% ) 3.500 1.500 1.500 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.10993E-02 ppm1 3.103 ppm2 6.822 CV 1 ASSI { 1983} (( segid " " and resid 55 and name HD2 )) ( segid " " and resid 56 and name HE% ) 3.200 1.300 1.300 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 3.015 ppm2 6.820 CV 1 ASSI { 1984} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.16835E-02 ppm1 5.279 ppm2 7.150 CV 1 ASSI { 1989} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.900 3.000 1.100 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.51528E-03 ppm1 2.880 ppm2 4.454 CV 1 ASSI { 1998} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.600 0.800 0.800 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.39605E-02 ppm1 5.273 ppm2 3.006 CV 1 ASSI { 2015} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.19104E-02 ppm1 2.880 ppm2 1.077 CV 1 ASSI { 2037} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HA )) 5.400 3.700 0.600 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.23553E-03 ppm1 1.135 ppm2 5.285 CV 1 ASSI { 2038} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HN )) 4.600 2.600 1.400 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.41830E-03 ppm1 1.134 ppm2 8.004 CV 1 ASSI { 2048} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) 3.100 1.200 1.200 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 2.079 ppm2 7.618 CV 1 ASSI { 2052} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 68 and name HN )) 3.700 1.700 1.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 1.756 ppm2 7.445 CV 1 OR { 2052} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 68 and name HN )) ASSI { 2054} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HE )) 3.200 1.300 1.300 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.12869E-02 ppm1 3.305 ppm2 7.577 CV 1 ASSI { 2055} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE )) 3.000 1.100 1.100 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.18332E-02 ppm1 3.283 ppm2 7.428 CV 1 OR { 2055} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE )) ASSI { 2063} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) 2.700 0.900 0.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.41288E-02 ppm1 2.077 ppm2 4.627 CV 1 ASSI { 2064} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.29621E-02 ppm1 1.875 ppm2 4.627 CV 1 ASSI { 2065} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.36705E-02 ppm1 1.759 ppm2 4.629 CV 1 OR { 2065} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) ASSI { 2066} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) 4.300 2.300 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 3.282 ppm2 4.630 CV 1 OR { 2066} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) ASSI { 2070} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.31325E-03 ppm1 2.082 ppm2 3.883 CV 1 ASSI { 2073} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.800 1.800 1.800 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 1.756 ppm2 3.888 CV 1 OR { 2073} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) OR { 2073} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) OR { 2073} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HA )) OR { 2073} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HA )) OR { 2073} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HA )) ASSI { 2076} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) 3.000 1.100 1.100 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 2.077 ppm2 3.284 CV 1 OR { 2076} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 2078} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) 2.400 0.700 0.700 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.62998E-02 ppm1 1.756 ppm2 3.280 CV 1 OR { 2078} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) OR { 2078} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) OR { 2078} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) ASSI { 2084} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB1 )) 2.400 0.700 0.700 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.77231E-02 ppm1 1.752 ppm2 2.072 CV 1 OR { 2084} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 2085} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 3.500 1.500 1.500 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 3.308 ppm2 2.206 CV 1 ASSI { 2088} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.700 0.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.78186E-02 ppm1 1.875 ppm2 1.755 CV 1 OR { 2088} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) ASSI { 2090} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB2 )) 2.900 1.000 1.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.29319E-02 ppm1 3.284 ppm2 1.872 CV 1 OR { 2090} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB2 )) ASSI { 2100} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) 2.800 1.000 1.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.10151E-02 ppm1 3.281 ppm2 0.983 CV 1 OR { 2100} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) OR { 2100} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) OR { 2100} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) ASSI { 2103} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.400 0.700 0.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.44633E-02 ppm1 4.121 ppm2 8.083 CV 1 ASSI { 2104} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HN )) 2.800 1.000 1.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.51066E-02 ppm1 3.931 ppm2 8.080 CV 1 ASSI { 2105} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 67 and name HN )) 3.300 1.400 1.400 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.13617E-02 ppm1 4.121 ppm2 7.620 CV 1 ASSI { 2110} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 67 and name HA )) 4.200 2.300 1.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.39476E-03 ppm1 4.125 ppm2 4.621 CV 1 ASSI { 2111} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 67 and name HA )) 4.300 2.300 1.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.42347E-03 ppm1 3.935 ppm2 4.615 CV 1 ASSI { 2112} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HA1 )) 1.700 0.400 0.500 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.21776E-01 ppm1 3.930 ppm2 4.121 CV 1 ASSI { 2122} (( segid " " and resid 66 and name HA1 )) ( segid " " and resid 65 and name HB% ) 4.200 2.300 1.800 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.65274E-03 ppm1 4.120 ppm2 1.403 CV 1 ASSI { 2134} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.600 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.35192E-02 ppm1 4.038 ppm2 8.232 CV 1 ASSI { 2135} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HN )) 2.300 0.700 0.700 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.72817E-02 ppm1 1.418 ppm2 8.232 CV 1 ASSI { 2138} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 3.000 1.100 1.100 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.21031E-02 ppm1 4.038 ppm2 8.082 CV 1 ASSI { 2139} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HN )) 2.900 1.000 1.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.26473E-02 ppm1 1.420 ppm2 8.082 CV 1 ASSI { 2143} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HN )) 3.900 1.900 1.900 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.65247E-03 ppm1 4.038 ppm2 7.617 CV 1 ASSI { 2147} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 1.418 ppm2 4.461 CV 1 ASSI { 2149} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HA )) 3.100 1.200 1.200 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 1.419 ppm2 4.261 CV 1 ASSI { 2151} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.91893E-02 ppm1 1.419 ppm2 4.035 CV 1 ASSI { 2157} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA2 )) 3.600 1.600 1.600 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 1.416 ppm2 3.921 CV 1 ASSI { 2166} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HB )) 3.800 1.800 1.800 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.14365E-02 ppm1 1.416 ppm2 2.211 CV 1 ASSI { 2177} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 49 and name HB% ) 2.500 0.800 0.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.59868E-02 ppm1 1.417 ppm2 1.536 CV 1 ASSI { 2179} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG2%) 2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.22187E-02 ppm1 4.037 ppm2 1.168 CV 1 ASSI { 2185} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.10381E-02 ppm1 1.417 ppm2 0.853 CV 1 ASSI { 2186} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 45 and name HD2%) 3.800 1.800 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.53350E-03 ppm1 1.417 ppm2 0.369 CV 1 ASSI { 2187} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 45 and name HD1%) 3.700 1.700 1.700 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.53637E-03 ppm1 1.419 ppm2 0.237 CV 1 ASSI { 2188} (( segid " " and resid 65 and name HA )) ( segid " " and resid 45 and name HD2%) 4.200 2.200 1.800 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.36655E-03 ppm1 4.042 ppm2 0.371 CV 1 ASSI { 2189} (( segid " " and resid 65 and name HA )) ( segid " " and resid 45 and name HD1%) 3.800 1.800 1.800 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.60093E-03 ppm1 4.038 ppm2 0.227 CV 1 ASSI { 2195} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) 2.200 0.600 0.600 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.10399E-01 ppm1 3.882 ppm2 1.014 CV 1 OR { 2195} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG1%) ASSI { 2201} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.200 1.300 1.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.11545E-02 ppm1 3.882 ppm2 1.868 CV 1 ASSI { 2202} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.700 1.700 1.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.17271E-02 ppm1 3.883 ppm2 1.752 CV 1 OR { 2202} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 2203} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB )) 2.600 0.800 0.800 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.45003E-02 ppm1 3.883 ppm2 2.228 CV 1 ASSI { 2212} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD2 )) 3.200 1.300 1.300 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 3.881 ppm2 3.279 CV 1 OR { 2212} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD1 )) ASSI { 2215} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.300 2.300 1.700 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.91163E-03 ppm1 0.981 ppm2 3.465 CV 1 ASSI { 2219} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD2 )) 3.000 1.100 1.100 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.10804E-02 ppm1 2.231 ppm2 3.584 CV 1 ASSI { 2224} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 27 and name HB2 )) 3.300 1.300 1.300 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.45119E-03 ppm1 3.881 ppm2 4.000 CV 1 ASSI { 2239} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HN )) 3.300 1.300 1.300 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.92704E-03 ppm1 3.881 ppm2 7.614 CV 1 ASSI { 2248} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.300 1.300 1.300 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 3.882 ppm2 8.233 CV 1 ASSI { 2253} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.28561E-02 ppm1 2.232 ppm2 8.236 CV 1 ASSI { 2266} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.500 0.800 0.800 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.69183E-02 ppm1 4.549 ppm2 2.841 CV 1 ASSI { 2267} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.500 0.800 0.800 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.96907E-02 ppm1 4.550 ppm2 2.750 CV 1 ASSI { 2299} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.200 1.200 1.200 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.17830E-02 ppm1 4.548 ppm2 7.447 CV 1 ASSI { 2302} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.38595E-02 ppm1 4.550 ppm2 8.586 CV 1 ASSI { 2303} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.400 1.500 1.500 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 2.841 ppm2 8.588 CV 1 ASSI { 2304} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.000 1.100 1.100 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 2.755 ppm2 8.586 CV 1 ASSI { 2309} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 4.465 ppm2 8.773 CV 1 ASSI { 2314} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.400 1.500 1.500 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 2.813 ppm2 8.590 CV 1 ASSI { 2318} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.62080E-02 ppm1 4.477 ppm2 8.254 CV 1 ASSI { 2325} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.25920E-02 ppm1 2.761 ppm2 4.717 CV 1 ASSI { 2327} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.37535E-02 ppm1 2.761 ppm2 4.465 CV 1 ASSI { 2331} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.500 0.800 0.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.75421E-02 ppm1 4.465 ppm2 2.805 CV 1 ASSI { 2336} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.24374E-02 ppm1 4.477 ppm2 2.078 CV 1 ASSI { 2343} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.15573E-02 ppm1 2.542 ppm2 8.772 CV 1 ASSI { 2344} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.100 0.500 0.500 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.12988E-01 ppm1 4.542 ppm2 8.774 CV 1 ASSI { 2345} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 62 and name HN )) 5.300 3.600 0.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.47631E-03 ppm1 2.151 ppm2 8.772 CV 1 OR { 2345} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) ASSI { 2353} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HN )) 4.700 2.800 1.300 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.34084E-03 ppm1 4.026 ppm2 8.311 CV 1 ASSI { 2359} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.400 2.400 1.600 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.61784E-03 ppm1 2.545 ppm2 7.450 CV 1 ASSI { 2361} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HN )) 5.200 3.300 0.800 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.59186E-03 ppm1 2.141 ppm2 7.444 CV 1 OR { 2361} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 64 and name HN )) ASSI { 2364} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HA )) 2.200 0.600 0.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.69419E-02 ppm1 2.542 ppm2 4.539 CV 1 ASSI { 2366} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) 4.600 2.600 1.400 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 2.144 ppm2 4.635 CV 1 OR { 2366} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HA )) ASSI { 2367} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.27790E-02 ppm1 2.146 ppm2 4.538 CV 1 OR { 2367} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HA )) ASSI { 2370} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 4.000 2.000 2.000 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 2.542 ppm2 4.025 CV 1 ASSI { 2371} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 3.700 1.700 1.700 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.15315E-02 ppm1 2.077 ppm2 4.025 CV 1 ASSI { 2379} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD2 )) 3.900 1.900 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 2.542 ppm2 3.580 CV 1 ASSI { 2380} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 2.900 1.100 1.100 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.15332E-02 ppm1 2.082 ppm2 3.582 CV 1 ASSI { 2394} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB1 )) 2.200 0.600 0.600 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.79088E-02 ppm1 2.148 ppm2 2.542 CV 1 OR { 2394} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB1 )) ASSI { 2401} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.54472E-02 ppm1 4.542 ppm2 2.103 CV 1 ASSI { 2402} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 67 and name HB2 )) 4.900 3.000 1.100 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.42193E-03 ppm1 2.080 ppm2 1.875 CV 1 ASSI { 2410} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HG12)) 4.800 2.900 1.200 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.29755E-03 ppm1 3.587 ppm2 1.144 CV 1 ASSI { 2411} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HG12)) 5.000 3.200 1.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.31499E-03 ppm1 4.027 ppm2 1.159 CV 1 ASSI { 2413} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 3.800 1.800 1.800 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.14934E-02 ppm1 2.543 ppm2 1.026 CV 1 ASSI { 2421} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 3.100 1.200 1.200 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.38360E-02 ppm1 3.812 ppm2 8.480 CV 1 ASSI { 2423} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 3.600 1.600 1.600 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.98572E-03 ppm1 3.811 ppm2 8.310 CV 1 ASSI { 2426} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.33231E-02 ppm1 3.812 ppm2 4.834 CV 1 ASSI { 2427} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 3.760 ppm2 4.832 CV 1 ASSI { 2446} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HD1%) 2.200 0.600 0.600 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.61747E-02 ppm1 1.512 ppm2 0.860 CV 1 ASSI { 2447} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) 2.600 0.800 0.800 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.36849E-02 ppm1 1.825 ppm2 0.858 CV 1 ASSI { 2448} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 3.200 1.300 1.300 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.19786E-02 ppm1 1.824 ppm2 1.136 CV 1 ASSI { 2449} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG2%) 2.300 0.700 0.700 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.57962E-02 ppm1 1.823 ppm2 1.024 CV 1 ASSI { 2465} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD2 )) 4.200 2.300 1.800 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.89498E-03 ppm1 1.824 ppm2 3.583 CV 1 ASSI { 2467} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.400 2.400 1.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 1.825 ppm2 4.027 CV 1 ASSI { 2479} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.900 1.100 1.100 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 1.824 ppm2 4.634 CV 1 ASSI { 2485} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.23798E-03 ppm1 0.885 ppm2 7.550 CV 1 ASSI { 2491} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HN )) 2.800 1.000 1.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.25771E-02 ppm1 1.825 ppm2 8.313 CV 1 ASSI { 2497} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.200 0.600 0.600 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.10537E-01 ppm1 4.675 ppm2 8.480 CV 1 ASSI { 2503} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.500 1.500 1.500 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 0.979 ppm2 8.479 CV 1 ASSI { 2513} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 0.981 ppm2 7.499 CV 1 ASSI { 2519} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.49203E-02 ppm1 0.932 ppm2 7.496 CV 1 ASSI { 2528} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.28770E-02 ppm1 0.932 ppm2 4.673 CV 1 ASSI { 2530} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.56351E-02 ppm1 0.980 ppm2 4.673 CV 1 ASSI { 2549} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.400 1.400 1.400 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.13895E-02 ppm1 0.933 ppm2 3.465 CV 1 ASSI { 2550} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.000 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 0.982 ppm2 2.804 CV 1 ASSI { 2551} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG2 )) 4.100 2.100 1.900 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.19732E-02 ppm1 0.933 ppm2 2.339 CV 1 ASSI { 2552} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HB )) 2.200 0.600 0.600 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.81456E-02 ppm1 0.932 ppm2 2.134 CV 1 ASSI { 2553} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.54145E-02 ppm1 4.671 ppm2 2.134 CV 1 ASSI { 2555} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HG )) 3.600 1.600 1.600 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 0.931 ppm2 1.847 CV 1 ASSI { 2557} (( segid " " and resid 58 and name HB )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.26782E-02 ppm1 2.136 ppm2 1.638 CV 1 ASSI { 2558} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 81 and name HB% ) 2.800 1.000 1.000 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.38984E-02 ppm1 0.931 ppm2 1.640 CV 1 ASSI { 2559} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.48470E-02 ppm1 0.980 ppm2 1.635 CV 1 ASSI { 2560} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 85 and name HB% ) 3.600 1.600 1.600 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.27981E-02 ppm1 0.977 ppm2 1.606 CV 1 ASSI { 2572} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 57 and name HN )) 2.200 0.600 0.600 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 4.102 ppm2 7.977 CV 1 OR { 2572} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 57 and name HN )) ASSI { 2573} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.12043E-02 ppm1 4.103 ppm2 8.112 CV 1 OR { 2573} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HN )) ASSI { 2577} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HN )) 2.800 0.900 0.900 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 4.102 ppm2 7.497 CV 1 OR { 2577} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HN )) ASSI { 2590} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG2%) 4.300 2.300 1.700 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 4.104 ppm2 0.977 CV 1 OR { 2590} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG2%) OR { 2590} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG2%) OR { 2590} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG2%) ASSI { 2605} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.40575E-02 ppm1 4.104 ppm2 8.138 CV 1 ASSI { 2606} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HN )) 4.100 2.100 1.900 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.16039E-02 ppm1 1.372 ppm2 8.139 CV 1 ASSI { 2607} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) 4.700 2.800 1.300 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.55396E-03 ppm1 0.986 ppm2 8.136 CV 1 ASSI { 2627} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HA )) 3.700 1.700 1.700 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.90760E-03 ppm1 3.102 ppm2 4.105 CV 1 ASSI { 2629} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 1.896 ppm2 4.317 CV 1 ASSI { 2630} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.600 1.600 1.600 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.55906E-03 ppm1 1.588 ppm2 4.318 CV 1 ASSI { 2635} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 4.300 2.300 1.700 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.66493E-03 ppm1 4.103 ppm2 3.017 CV 1 ASSI { 2636} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD1 )) 3.100 1.200 1.200 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.25042E-02 ppm1 1.371 ppm2 3.100 CV 1 ASSI { 2640} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.50164E-02 ppm1 4.104 ppm2 1.895 CV 1 ASSI { 2642} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 3.200 1.300 1.300 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 3.103 ppm2 1.890 CV 1 ASSI { 2643} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 3.018 ppm2 1.894 CV 1 ASSI { 2644} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.600 0.800 0.800 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.34305E-02 ppm1 4.105 ppm2 1.602 CV 1 ASSI { 2646} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB2 )) 3.700 1.700 1.700 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.12981E-02 ppm1 3.104 ppm2 1.607 CV 1 ASSI { 2648} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.25164E-02 ppm1 3.017 ppm2 1.374 CV 1 ASSI { 2650} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG1 )) 2.600 0.800 0.800 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.39882E-02 ppm1 1.893 ppm2 1.373 CV 1 ASSI { 2652} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG1 )) 2.400 0.700 0.700 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.39388E-02 ppm1 1.604 ppm2 1.378 CV 1 ASSI { 2653} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 4.104 ppm2 0.987 CV 1 ASSI { 2654} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HG2 )) 1.700 0.400 0.500 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.12989E-01 ppm1 1.373 ppm2 0.985 CV 1 ASSI { 2657} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) 3.000 1.200 1.200 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.27591E-02 ppm1 3.019 ppm2 0.990 CV 1 ASSI { 2666} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 4.387 ppm2 8.054 CV 1 ASSI { 2668} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.15733E-01 ppm1 4.112 ppm2 4.382 CV 1 OR { 2668} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 2669} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.40453E-02 ppm1 4.113 ppm2 4.239 CV 1 OR { 2669} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 51 and name HA )) OR { 2669} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 51 and name HA )) OR { 2669} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 51 and name HA )) ASSI { 2677} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG1%) 3.300 1.400 1.400 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.54714E-02 ppm1 4.120 ppm2 0.933 CV 1 ASSI { 2678} (( segid " " and resid 53 and name HA )) ( segid " " and resid 78 and name HD1%) 3.900 1.900 1.900 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.90390E-03 ppm1 4.119 ppm2 0.820 CV 1 ASSI { 2684} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HB )) 5.200 3.400 0.800 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.52014E-03 ppm1 4.120 ppm2 2.138 CV 1 ASSI { 2687} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 1.600 0.300 0.600 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.17888E-01 ppm1 2.350 ppm2 2.214 CV 1 ASSI { 2696} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 60 and name HG12)) 5.800 4.200 0.200 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.31137E-03 ppm1 2.760 ppm2 1.124 CV 1 ASSI { 2713} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HB2 )) 1.700 0.400 0.500 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.12761E-01 ppm1 2.481 ppm2 2.358 CV 1 OR { 2713} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) ASSI { 2714} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB1 )) 2.700 0.900 0.900 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.53632E-02 ppm1 2.757 ppm2 2.481 CV 1 ASSI { 2715} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HG2 )) 1.600 0.300 0.600 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.12936E-01 ppm1 2.757 ppm2 2.334 CV 1 ASSI { 2717} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB1 )) 2.200 0.600 0.600 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.58756E-02 ppm1 2.327 ppm2 2.483 CV 1 ASSI { 2719} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.600 0.900 0.900 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.39806E-02 ppm1 4.120 ppm2 2.756 CV 1 ASSI { 2720} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.300 0.700 0.700 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.46394E-02 ppm1 4.120 ppm2 2.480 CV 1 ASSI { 2721} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) 2.200 0.600 0.600 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.73553E-02 ppm1 4.120 ppm2 2.343 CV 1 OR { 2721} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 2724} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.300 0.700 0.700 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.44709E-02 ppm1 2.375 ppm2 2.751 CV 1 ASSI { 2727} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 50 and name HA )) 4.300 2.300 1.700 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 2.481 ppm2 4.285 CV 1 ASSI { 2733} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.500 2.500 1.500 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.82046E-03 ppm1 2.322 ppm2 4.279 CV 1 ASSI { 2734} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 2.500 0.800 0.800 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.27113E-02 ppm1 2.327 ppm2 4.118 CV 1 ASSI { 2739} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 59 and name HA )) 5.100 3.300 0.900 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.32699E-03 ppm1 2.752 ppm2 4.835 CV 1 ASSI { 2740} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.700 1.700 1.700 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.42147E-03 ppm1 2.334 ppm2 4.835 CV 1 ASSI { 2743} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 4.119 ppm2 7.500 CV 1 ASSI { 2752} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.400 1.400 1.400 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.11255E-02 ppm1 4.118 ppm2 8.034 CV 1 ASSI { 2759} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.800 1.000 1.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.13449E-02 ppm1 2.370 ppm2 8.060 CV 1 ASSI { 2766} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 5.000 3.100 1.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.55315E-03 ppm1 2.326 ppm2 8.059 CV 1 ASSI { 2771} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.34395E-02 ppm1 4.121 ppm2 8.916 CV 1 ASSI { 2772} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 2.369 ppm2 8.917 CV 1 ASSI { 2775} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.42790E-02 ppm1 4.321 ppm2 1.452 CV 1 ASSI { 2777} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.300 0.700 0.700 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.61962E-02 ppm1 0.870 ppm2 1.449 CV 1 ASSI { 2793} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HE% ) 2.300 0.700 0.700 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.60109E-02 ppm1 1.038 ppm2 6.820 CV 1 ASSI { 2795} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HD% ) 2.700 0.900 0.900 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 4.322 ppm2 7.444 CV 1 ASSI { 2806} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.21052E-02 ppm1 4.323 ppm2 8.451 CV 1 ASSI { 2807} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 2.059 ppm2 8.451 CV 1 ASSI { 2816} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.100 0.500 0.500 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.17814E-01 ppm1 1.662 ppm2 4.273 CV 1 ASSI { 2826} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.33949E-02 ppm1 4.286 ppm2 2.359 CV 1 OR { 2826} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG2 )) ASSI { 2832} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.500 1.500 1.500 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 4.285 ppm2 2.757 CV 1 ASSI { 2841} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.11721E-01 ppm1 1.661 ppm2 8.216 CV 1 ASSI { 2842} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HN )) 4.100 2.100 1.900 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.79893E-03 ppm1 1.661 ppm2 8.052 CV 1 ASSI { 2844} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.34880E-02 ppm1 4.285 ppm2 8.219 CV 1 ASSI { 2847} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) 4.600 2.700 1.400 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.58284E-03 ppm1 1.660 ppm2 8.730 CV 1 ASSI { 2861} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 54 and name HN )) 4.900 3.000 1.100 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.40925E-03 ppm1 1.546 ppm2 8.029 CV 1 ASSI { 2863} (( segid " " and resid 48 and name HB )) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.34287E-03 ppm1 4.435 ppm2 0.772 CV 1 ASSI { 2866} (( segid " " and resid 48 and name HA )) ( segid " " and resid 49 and name HB% ) 5.300 3.500 0.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.19446E-03 ppm1 3.966 ppm2 1.546 CV 1 ASSI { 2886} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HA )) 2.900 1.000 1.000 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.40393E-02 ppm1 2.351 ppm2 4.244 CV 1 ASSI { 2887} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.600 0.800 0.800 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.34469E-02 ppm1 2.215 ppm2 4.237 CV 1 ASSI { 2888} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.22348E-02 ppm1 2.605 ppm2 4.241 CV 1 ASSI { 2889} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 2.463 ppm2 4.241 CV 1 ASSI { 2905} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.300 0.700 0.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.73268E-02 ppm1 4.248 ppm2 2.019 CV 1 ASSI { 2907} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB1 )) 2.400 0.700 0.700 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.50784E-02 ppm1 2.604 ppm2 2.347 CV 1 ASSI { 2908} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB1 )) 2.200 0.600 0.600 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.17800E-01 ppm1 2.496 ppm2 2.257 CV 1 OR { 2908} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HB1 )) ASSI { 2909} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 1.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.39671E-02 ppm1 2.604 ppm2 2.216 CV 1 ASSI { 2910} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HB2 )) 2.200 0.600 0.600 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.11567E-01 ppm1 2.497 ppm2 2.150 CV 1 OR { 2910} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 2913} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG2 )) 2.400 0.700 0.700 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.58789E-02 ppm1 2.221 ppm2 2.465 CV 1 ASSI { 2928} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HD2 )) 3.400 1.400 1.400 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.89536E-03 ppm1 4.248 ppm2 3.322 CV 1 ASSI { 2938} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.34617E-02 ppm1 2.217 ppm2 8.499 CV 1 ASSI { 2939} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.20156E-02 ppm1 2.603 ppm2 8.499 CV 1 ASSI { 2940} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 2.463 ppm2 8.499 CV 1 ASSI { 2961} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 65 and name HB% ) 5.100 3.300 0.900 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.18149E-03 ppm1 2.848 ppm2 1.422 CV 1 ASSI { 2962} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 65 and name HB% ) 4.500 2.600 1.500 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.38985E-03 ppm1 2.756 ppm2 1.406 CV 1 ASSI { 2967} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 4.300 2.300 1.700 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.12780E-02 ppm1 2.753 ppm2 2.219 CV 1 ASSI { 2970} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) 2.200 0.600 0.600 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.11631E-01 ppm1 2.339 ppm2 2.843 CV 1 OR { 2970} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) ASSI { 2980} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 17 and name HB1 )) 5.900 4.300 0.100 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.24055E-03 ppm1 2.846 ppm2 4.161 CV 1 ASSI { 2991} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.59202E-02 ppm1 2.334 ppm2 8.240 CV 1 OR { 2991} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) ASSI { 2992} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.78707E-03 ppm1 2.846 ppm2 8.489 CV 1 ASSI { 2993} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.500 2.500 1.500 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.73027E-03 ppm1 2.755 ppm2 8.491 CV 1 ASSI { 2996} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 2.600 0.900 0.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.27066E-02 ppm1 2.849 ppm2 8.241 CV 1 ASSI { 2997} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.26443E-02 ppm1 2.756 ppm2 8.240 CV 1 ASSI { 3003} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.400 0.700 0.700 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.53580E-02 ppm1 0.238 ppm2 1.391 CV 1 ASSI { 3004} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 2.400 0.700 0.700 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.52689E-02 ppm1 0.374 ppm2 1.392 CV 1 ASSI { 3008} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) 3.300 1.300 1.300 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.36652E-02 ppm1 3.922 ppm2 0.237 CV 1 ASSI { 3011} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD1%) 3.400 1.400 1.400 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.22599E-02 ppm1 1.565 ppm2 0.237 CV 1 ASSI { 3012} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 45 and name HD1%) 2.300 0.700 0.700 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.86374E-02 ppm1 0.374 ppm2 0.248 CV 1 ASSI { 3016} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 14 and name HD1%) 3.800 1.800 1.800 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 0.239 ppm2 0.758 CV 1 ASSI { 3029} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.45747E-02 ppm1 0.239 ppm2 1.576 CV 1 OR { 3029} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB1 )) ASSI { 3031} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.61135E-03 ppm1 0.375 ppm2 1.714 CV 1 ASSI { 3032} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 2.700 0.900 0.900 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.59256E-02 ppm1 0.374 ppm2 1.566 CV 1 OR { 3032} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB2 )) ASSI { 3050} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB2 )) 3.000 1.100 1.100 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.73741E-03 ppm1 0.374 ppm2 2.815 CV 1 ASSI { 3058} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB2 )) 4.400 2.400 1.600 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.48356E-03 ppm1 0.239 ppm2 3.107 CV 1 ASSI { 3059} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 4.400 2.400 1.600 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.79362E-03 ppm1 0.240 ppm2 3.004 CV 1 ASSI { 3060} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB2 )) 4.300 2.300 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.82261E-03 ppm1 0.375 ppm2 3.096 CV 1 ASSI { 3061} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB1 )) 4.200 2.200 1.800 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.51588E-03 ppm1 0.373 ppm2 3.014 CV 1 ASSI { 3062} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.200 2.200 1.800 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.68818E-03 ppm1 0.238 ppm2 3.575 CV 1 ASSI { 3063} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.90551E-03 ppm1 0.374 ppm2 3.578 CV 1 ASSI { 3064} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 1.566 ppm2 3.918 CV 1 ASSI { 3065} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.20501E-02 ppm1 1.593 ppm2 3.915 CV 1 OR { 3065} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 3066} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HA )) 3.600 1.600 1.600 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.82234E-03 ppm1 1.388 ppm2 3.927 CV 1 ASSI { 3067} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 66 and name HA1 )) 4.600 2.600 1.400 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.45630E-03 ppm1 0.238 ppm2 4.140 CV 1 ASSI { 3074} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) 3.600 1.600 1.600 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.37717E-02 ppm1 0.374 ppm2 3.920 CV 1 ASSI { 3093} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 0.238 ppm2 7.147 CV 1 ASSI { 3095} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HE% ) 5.300 3.500 0.700 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 0.237 ppm2 6.761 CV 1 ASSI { 3096} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 0.374 ppm2 7.142 CV 1 ASSI { 3097} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.000 1.100 1.100 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.16226E-02 ppm1 0.374 ppm2 6.935 CV 1 OR { 3097} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 3104} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 1.586 ppm2 8.241 CV 1 OR { 3104} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) ASSI { 3107} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.63298E-03 ppm1 0.234 ppm2 8.241 CV 1 ASSI { 3109} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HN )) 4.200 2.300 1.800 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.54418E-03 ppm1 0.372 ppm2 8.238 CV 1 ASSI { 3116} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.600 0.900 0.900 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 3.923 ppm2 8.470 CV 1 ASSI { 3117} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.600 0.800 0.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.34319E-02 ppm1 1.595 ppm2 8.469 CV 1 OR { 3117} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) ASSI { 3118} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.19371E-02 ppm1 1.390 ppm2 8.468 CV 1 ASSI { 3127} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HN )) 2.200 0.600 0.600 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.10054E-01 ppm1 1.540 ppm2 8.171 CV 1 ASSI { 3129} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.32439E-02 ppm1 1.541 ppm2 4.589 CV 1 ASSI { 3135} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD1%) 3.300 1.300 1.300 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.76865E-02 ppm1 4.369 ppm2 0.895 CV 1 ASSI { 3138} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.900 3.100 1.100 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.54671E-03 ppm1 1.539 ppm2 0.236 CV 1 ASSI { 3139} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD1%) 2.400 0.700 0.700 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.79303E-02 ppm1 4.331 ppm2 0.962 CV 1 ASSI { 3141} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HB% ) 2.200 0.600 0.600 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.12596E-01 ppm1 4.330 ppm2 1.540 CV 1 ASSI { 3144} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.600 0.800 0.800 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.35194E-02 ppm1 4.331 ppm2 1.787 CV 1 OR { 3144} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 3145} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HG1 )) 4.500 2.600 1.500 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.62778E-03 ppm1 4.328 ppm2 2.598 CV 1 ASSI { 3146} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HG2 )) 4.000 2.000 2.000 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.96456E-03 ppm1 4.329 ppm2 2.463 CV 1 ASSI { 3147} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.500 0.800 0.800 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.37036E-02 ppm1 4.329 ppm2 2.350 CV 1 ASSI { 3148} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.000 1.100 1.100 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.21312E-02 ppm1 4.330 ppm2 2.209 CV 1 ASSI { 3159} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.600 0.800 0.800 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.41701E-02 ppm1 4.330 ppm2 8.170 CV 1 ASSI { 3168} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.37328E-02 ppm1 1.542 ppm2 8.011 CV 1 ASSI { 3176} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HB2 )) 3.500 1.500 1.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.80914E-03 ppm1 1.540 ppm2 4.058 CV 1 ASSI { 3177} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.75287E-03 ppm1 1.546 ppm2 3.923 CV 1 ASSI { 3179} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB1 )) 3.500 1.600 1.600 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.81697E-03 ppm1 1.542 ppm2 3.003 CV 1 ASSI { 3195} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.36152E-02 ppm1 1.838 ppm2 7.827 CV 1 ASSI { 3196} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.800 1.000 1.000 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.27098E-02 ppm1 4.280 ppm2 7.819 CV 1 ASSI { 3210} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HN )) 2.600 0.800 0.800 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 1.895 ppm2 8.168 CV 1 ASSI { 3216} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.36966E-02 ppm1 1.842 ppm2 4.279 CV 1 ASSI { 3218} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.45343E-02 ppm1 1.072 ppm2 4.276 CV 1 ASSI { 3219} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 2.900 1.000 1.000 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.42857E-02 ppm1 1.019 ppm2 4.279 CV 1 ASSI { 3249} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 2.900 1.100 1.100 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.37249E-02 ppm1 1.072 ppm2 1.888 CV 1 ASSI { 3250} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) 2.700 0.900 0.900 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.35919E-02 ppm1 1.019 ppm2 1.890 CV 1 ASSI { 3257} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD2%) 2.900 1.100 1.100 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.25863E-02 ppm1 1.897 ppm2 1.042 CV 1 OR { 3257} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD1%) ASSI { 3258} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 3.100 1.200 1.200 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.26293E-02 ppm1 1.845 ppm2 1.040 CV 1 OR { 3258} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 3260} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD2%) 3.900 1.900 1.900 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.18008E-02 ppm1 4.258 ppm2 0.372 CV 1 ASSI { 3264} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.87791E-03 ppm1 4.257 ppm2 8.237 CV 1 ASSI { 3267} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.600 0.900 0.900 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.42968E-02 ppm1 4.258 ppm2 8.942 CV 1 ASSI { 3269} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.800 0.900 0.900 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.28424E-02 ppm1 4.193 ppm2 8.943 CV 1 ASSI { 3270} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 4.258 ppm2 7.826 CV 1 ASSI { 3277} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.200 0.600 0.600 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.10127E-01 ppm1 4.258 ppm2 4.358 CV 1 ASSI { 3289} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name H28A)) 4.800 2.900 1.200 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.50211E-03 ppm1 4.354 ppm2 3.461 CV 1 ASSI { 3290} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name H28A)) 6.000 4.600 0.000 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.52097E-03 ppm1 4.194 ppm2 3.468 CV 1 ASSI { 3304} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD1%) 3.600 1.600 1.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 4.256 ppm2 0.238 CV 1 ASSI { 3306} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.900 1.000 1.000 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 3.289 ppm2 4.752 CV 1 ASSI { 3308} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.31516E-02 ppm1 2.859 ppm2 4.752 CV 1 ASSI { 3312} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HB2 )) 1.800 0.400 0.400 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.16907E-01 ppm1 3.289 ppm2 2.858 CV 1 ASSI { 3325} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.20053E-02 ppm1 2.859 ppm2 8.013 CV 1 ASSI { 3326} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.37508E-03 ppm1 2.859 ppm2 7.830 CV 1 ASSI { 3329} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.600 0.800 0.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.49902E-02 ppm1 3.287 ppm2 8.940 CV 1 ASSI { 3330} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 3.000 1.100 1.100 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.35992E-02 ppm1 2.860 ppm2 8.938 CV 1 ASSI { 3331} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB1 )) 4.800 2.800 1.200 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.39474E-03 ppm1 6.765 ppm2 2.994 CV 1 OR { 3331} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB1 )) ASSI { 3332} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB2 )) 4.500 2.500 1.500 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.50836E-03 ppm1 6.766 ppm2 2.817 CV 1 ASSI { 3363} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HB )) 3.900 1.900 1.900 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.33310E-03 ppm1 6.764 ppm2 2.453 CV 1 ASSI { 3364} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB1 )) 4.100 2.100 1.900 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.64646E-03 ppm1 6.767 ppm2 1.994 CV 1 ASSI { 3365} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HG11)) 3.600 1.600 1.600 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.80285E-03 ppm1 6.763 ppm2 1.839 CV 1 ASSI { 3367} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB2 )) 4.100 2.100 1.900 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.14051E-02 ppm1 6.762 ppm2 1.429 CV 1 OR { 3367} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB2 )) ASSI { 3368} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 26 and name HB2 )) 3.600 1.600 1.600 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.78261E-03 ppm1 6.765 ppm2 1.263 CV 1 OR { 3368} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 26 and name HB2 )) ASSI { 3370} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 2.500 0.800 0.800 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.26806E-02 ppm1 6.762 ppm2 0.773 CV 1 ASSI { 3373} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 45 and name HD2%) 4.400 2.400 1.600 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.51745E-03 ppm1 6.765 ppm2 0.373 CV 1 ASSI { 3391} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 38 and name HA )) 5.300 3.500 0.700 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.31060E-03 ppm1 3.887 ppm2 4.640 CV 1 ASSI { 3395} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HN )) 2.300 0.700 0.700 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.70922E-02 ppm1 3.886 ppm2 7.734 CV 1 ASSI { 3399} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.53946E-02 ppm1 4.267 ppm2 7.735 CV 1 ASSI { 3400} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 3.600 1.600 1.600 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 4.268 ppm2 8.046 CV 1 ASSI { 3401} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 40 and name HN )) 2.900 1.000 1.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.20972E-02 ppm1 3.885 ppm2 8.042 CV 1 ASSI { 3402} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.18965E-02 ppm1 1.567 ppm2 9.438 CV 1 ASSI { 3412} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 40 and name HN )) 4.500 2.500 1.500 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.46878E-03 ppm1 1.544 ppm2 8.040 CV 1 ASSI { 3415} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HN )) 4.900 3.000 1.100 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 0.889 ppm2 8.039 CV 1 ASSI { 3422} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.400 1.500 1.500 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 0.891 ppm2 7.322 CV 1 ASSI { 3423} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.26161E-02 ppm1 0.891 ppm2 7.143 CV 1 ASSI { 3427} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HD% ) 4.700 2.800 1.300 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.49337E-03 ppm1 1.546 ppm2 7.137 CV 1 ASSI { 3432} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HD% ) 2.900 1.100 1.100 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.24327E-02 ppm1 0.890 ppm2 6.982 CV 1 ASSI { 3433} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HZ )) 4.600 2.700 1.400 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.41049E-03 ppm1 0.890 ppm2 6.884 CV 1 ASSI { 3434} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.000 1.100 1.100 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.890 ppm2 6.762 CV 1 ASSI { 3435} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HA )) 2.600 0.800 0.800 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.38149E-02 ppm1 2.453 ppm2 4.640 CV 1 ASSI { 3436} (( segid " " and resid 38 and name HB )) (( segid " " and resid 35 and name HA )) 4.600 2.600 1.400 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.77682E-03 ppm1 2.449 ppm2 4.380 CV 1 ASSI { 3442} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.59352E-02 ppm1 1.064 ppm2 4.644 CV 1 ASSI { 3443} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HA )) 4.100 2.100 1.900 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 1.063 ppm2 4.368 CV 1 ASSI { 3446} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HA )) 4.700 2.700 1.300 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.10042E-02 ppm1 0.889 ppm2 4.639 CV 1 ASSI { 3447} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.38104E-02 ppm1 0.890 ppm2 4.382 CV 1 ASSI { 3452} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HA1 )) 4.100 2.100 1.900 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.76484E-03 ppm1 1.066 ppm2 4.292 CV 1 ASSI { 3457} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.400 2.400 1.600 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 0.891 ppm2 3.583 CV 1 ASSI { 3464} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 0.892 ppm2 2.834 CV 1 ASSI { 3471} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 3.400 1.400 1.400 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.10465E-02 ppm1 1.548 ppm2 2.456 CV 1 ASSI { 3473} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.64829E-02 ppm1 0.891 ppm2 2.451 CV 1 ASSI { 3476} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG1 )) 2.800 1.000 1.000 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.17765E-02 ppm1 0.891 ppm2 2.210 CV 1 ASSI { 3483} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.100 0.500 0.500 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.93246E-02 ppm1 0.890 ppm2 1.833 CV 1 ASSI { 3485} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12)) 2.200 0.600 0.600 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.76490E-02 ppm1 0.889 ppm2 1.544 CV 1 ASSI { 3486} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 2.400 0.700 0.700 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.46185E-02 ppm1 1.065 ppm2 1.544 CV 1 ASSI { 3492} (( segid " " and resid 38 and name HB )) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.44278E-03 ppm1 2.455 ppm2 1.276 CV 1 ASSI { 3493} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HG )) 3.500 1.600 1.600 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.22668E-02 ppm1 0.888 ppm2 1.392 CV 1 ASSI { 3498} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.100 0.500 0.500 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.13133E-01 ppm1 0.889 ppm2 1.073 CV 1 ASSI { 3501} (( segid " " and resid 38 and name HB )) ( segid " " and resid 26 and name HD1%) 3.600 1.600 1.600 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.64319E-03 ppm1 2.450 ppm2 0.697 CV 1 ASSI { 3507} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 26 and name HD1%) 2.500 0.800 0.800 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.43620E-02 ppm1 0.891 ppm2 0.700 CV 1 ASSI { 3511} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.24096E-02 ppm1 3.092 ppm2 4.819 CV 1 ASSI { 3512} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.800 1.000 1.000 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.29575E-02 ppm1 3.005 ppm2 4.821 CV 1 ASSI { 3527} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.27524E-02 ppm1 3.003 ppm2 7.566 CV 1 ASSI { 3531} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.78331E-03 ppm1 2.999 ppm2 8.471 CV 1 ASSI { 3542} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.700 0.900 0.900 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.54279E-02 ppm1 4.367 ppm2 2.496 CV 1 OR { 3542} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 3555} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HA )) 5.000 3.100 1.000 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.32784E-03 ppm1 2.499 ppm2 4.813 CV 1 OR { 3555} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HA )) OR { 3555} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HA )) OR { 3555} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HA )) ASSI { 3564} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.41916E-02 ppm1 4.369 ppm2 9.578 CV 1 ASSI { 3566} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 38 and name HG12)) 5.100 3.300 0.900 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.40105E-03 ppm1 3.112 ppm2 1.545 CV 1 ASSI { 3567} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 38 and name HG12)) 4.500 2.500 1.500 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.56485E-03 ppm1 3.577 ppm2 1.542 CV 1 ASSI { 3574} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 35 and name HE% ) 2.300 0.700 0.700 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.53796E-02 ppm1 7.146 ppm2 6.941 CV 1 ASSI { 3582} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD1 )) 2.700 0.900 0.900 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.27554E-02 ppm1 1.960 ppm2 3.451 CV 1 ASSI { 3585} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 2.900 1.000 1.000 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 1.633 ppm2 3.353 CV 1 ASSI { 3595} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.43085E-02 ppm1 3.450 ppm2 1.740 CV 1 ASSI { 3596} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.700 0.900 0.900 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.31005E-02 ppm1 3.457 ppm2 1.639 CV 1 ASSI { 3597} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 2.900 1.000 1.000 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 1.632 ppm2 1.855 CV 1 ASSI { 3599} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG1 )) 1.800 0.400 0.400 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.85139E-02 ppm1 1.632 ppm2 1.946 CV 1 ASSI { 3602} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 2.300 0.700 0.700 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.57790E-02 ppm1 1.984 ppm2 2.205 CV 1 ASSI { 3603} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.29449E-02 ppm1 1.632 ppm2 2.191 CV 1 ASSI { 3614} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HA )) 3.400 1.400 1.400 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.96032E-03 ppm1 3.450 ppm2 4.239 CV 1 ASSI { 3621} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) 3.600 1.600 1.600 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.79212E-03 ppm1 2.200 ppm2 4.733 CV 1 ASSI { 3622} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 1.946 ppm2 4.732 CV 1 ASSI { 3623} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HA )) 3.300 1.400 1.400 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.11713E-02 ppm1 1.634 ppm2 4.730 CV 1 ASSI { 3624} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HA )) 4.500 2.500 1.500 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.42515E-03 ppm1 3.465 ppm2 4.731 CV 1 ASSI { 3639} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 4.600 2.600 1.400 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.49289E-03 ppm1 1.862 ppm2 7.560 CV 1 ASSI { 3641} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HE )) 3.100 1.200 1.200 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.14106E-02 ppm1 3.453 ppm2 7.577 CV 1 ASSI { 3647} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HE )) 3.000 1.100 1.100 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.18279E-02 ppm1 3.460 ppm2 8.003 CV 1 ASSI { 3653} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.900 1.900 1.900 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.41366E-03 ppm1 2.190 ppm2 9.579 CV 1 ASSI { 3662} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD2%) 2.700 0.900 0.900 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.32692E-02 ppm1 1.784 ppm2 1.071 CV 1 ASSI { 3663} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD1%) 2.800 0.900 0.900 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.27990E-02 ppm1 1.792 ppm2 0.965 CV 1 ASSI { 3665} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 26 and name HD1%) 4.100 2.100 1.900 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.94572E-03 ppm1 1.068 ppm2 0.689 CV 1 ASSI { 3667} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HD1%) 4.300 2.300 1.700 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 1.792 ppm2 0.888 CV 1 ASSI { 3671} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 33 and name HD1%) 2.300 0.700 0.700 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.10602E-01 ppm1 1.068 ppm2 0.966 CV 1 ASSI { 3674} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 1.700 0.300 0.500 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.11673E-01 ppm1 1.792 ppm2 1.419 CV 1 ASSI { 3677} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.18842E-02 ppm1 1.783 ppm2 1.423 CV 1 ASSI { 3678} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.29388E-02 ppm1 1.068 ppm2 1.423 CV 1 ASSI { 3680} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB2 )) 2.600 0.800 0.800 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.46714E-02 ppm1 0.963 ppm2 1.421 CV 1 ASSI { 3682} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 1.700 0.400 0.500 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.11093E-01 ppm1 1.420 ppm2 1.791 CV 1 OR { 3682} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG )) ASSI { 3684} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HG )) 2.400 0.700 0.700 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.78782E-02 ppm1 1.067 ppm2 1.789 CV 1 OR { 3684} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB1 )) ASSI { 3685} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG )) 2.200 0.600 0.600 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.11992E-01 ppm1 0.962 ppm2 1.782 CV 1 OR { 3685} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB1 )) ASSI { 3695} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB1 )) 5.100 3.200 0.900 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.424 ppm2 3.036 CV 1 ASSI { 3702} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.600 1.600 1.600 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.19293E-02 ppm1 1.070 ppm2 3.304 CV 1 ASSI { 3708} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HA )) 4.000 2.000 2.000 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 1.070 ppm2 4.353 CV 1 ASSI { 3709} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.23124E-02 ppm1 1.790 ppm2 4.330 CV 1 ASSI { 3710} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 30 and name HA )) 4.800 2.900 1.200 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.68270E-03 ppm1 1.788 ppm2 4.751 CV 1 ASSI { 3711} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) 4.000 2.000 2.000 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.13415E-02 ppm1 1.790 ppm2 4.752 CV 1 ASSI { 3713} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HA )) 3.200 1.200 1.200 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.23220E-02 ppm1 1.069 ppm2 4.752 CV 1 ASSI { 3718} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.300 0.600 0.600 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.86631E-02 ppm1 1.422 ppm2 4.857 CV 1 ASSI { 3720} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.300 1.400 1.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 1.793 ppm2 7.224 CV 1 ASSI { 3722} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.21203E-02 ppm1 1.789 ppm2 7.224 CV 1 ASSI { 3723} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.300 2.300 1.700 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.58257E-03 ppm1 1.070 ppm2 7.323 CV 1 ASSI { 3724} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.065 ppm2 7.224 CV 1 ASSI { 3735} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.100 1.200 1.200 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 1.789 ppm2 8.473 CV 1 ASSI { 3739} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 2.600 2.600 3.400 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.18768E-02 ppm1 0.962 ppm2 8.464 CV 1 ASSI { 3740} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.36747E-02 ppm1 5.045 ppm2 2.363 CV 1 ASSI { 3741} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 2.800 1.000 1.000 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 3.041 ppm2 0.636 CV 1 OR { 3741} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 3742} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.900 3.000 1.100 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.58611E-03 ppm1 2.339 ppm2 0.625 CV 1 OR { 3742} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 5 and name HD2%) ASSI { 3756} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.45423E-02 ppm1 3.044 ppm2 5.055 CV 1 ASSI { 3767} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.29505E-02 ppm1 3.040 ppm2 7.899 CV 1 ASSI { 3769} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.300 0.700 0.700 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.42128E-02 ppm1 2.343 ppm2 8.071 CV 1 ASSI { 3770} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.600 0.800 0.800 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.43319E-02 ppm1 2.367 ppm2 8.069 CV 1 ASSI { 3771} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.24691E-02 ppm1 3.043 ppm2 9.059 CV 1 ASSI { 3776} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.15854E-02 ppm1 3.320 ppm2 7.528 CV 1 ASSI { 3779} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HN )) 4.600 2.600 1.400 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.85499E-03 ppm1 0.791 ppm2 7.526 CV 1 ASSI { 3786} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HN )) 4.700 2.700 1.300 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.60952E-03 ppm1 1.042 ppm2 9.018 CV 1 ASSI { 3789} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 0.468 ppm2 9.011 CV 1 ASSI { 3795} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.400 1.500 1.500 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.72366E-03 ppm1 3.319 ppm2 8.069 CV 1 ASSI { 3796} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.200 1.200 1.200 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 3.320 ppm2 7.322 CV 1 ASSI { 3798} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.100 2.100 1.900 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.49516E-03 ppm1 0.791 ppm2 7.328 CV 1 OR { 3798} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 3801} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.400 1.500 1.500 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.19767E-02 ppm1 0.470 ppm2 7.335 CV 1 ASSI { 3807} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH22)) 3.100 1.200 1.200 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 0.791 ppm2 6.911 CV 1 OR { 3807} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH21)) OR { 3807} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH12)) ASSI { 3809} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH22)) 4.400 2.400 1.600 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.57522E-03 ppm1 0.470 ppm2 6.908 CV 1 OR { 3809} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH21)) OR { 3809} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH11)) OR { 3809} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH12)) ASSI { 3815} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HB )) 4.800 2.900 1.200 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.38644E-03 ppm1 0.792 ppm2 4.330 CV 1 ASSI { 3825} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HA )) 3.900 1.900 1.900 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 0.792 ppm2 3.616 CV 1 ASSI { 3826} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HD1 )) 4.500 2.600 1.500 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.42349E-03 ppm1 0.793 ppm2 3.509 CV 1 ASSI { 3832} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.17577E-02 ppm1 1.639 ppm2 3.320 CV 1 ASSI { 3835} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HA )) 4.100 2.100 1.900 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.89343E-03 ppm1 0.791 ppm2 3.323 CV 1 ASSI { 3837} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HA )) 2.200 0.600 0.600 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.75394E-02 ppm1 0.471 ppm2 3.319 CV 1 ASSI { 3842} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 3.800 1.800 1.800 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.25159E-02 ppm1 0.471 ppm2 2.253 CV 1 ASSI { 3843} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB2 )) 2.400 0.700 0.700 peak 3843 spectrum 1 weight 0.10000E+01 volume 0.33176E-02 ppm1 0.471 ppm2 2.032 CV 1 ASSI { 3845} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) 3.300 1.400 1.400 peak 3845 spectrum 1 weight 0.10000E+01 volume 0.33801E-02 ppm1 3.321 ppm2 2.252 CV 1 ASSI { 3849} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 4.000 2.000 2.000 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 0.470 ppm2 1.883 CV 1 ASSI { 3859} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 3859 spectrum 1 weight 0.10000E+01 volume 0.73612E-03 ppm1 3.318 ppm2 1.370 CV 1 ASSI { 3860} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 3.200 1.300 1.300 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 3.321 ppm2 1.211 CV 1 ASSI { 3861} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 1.800 0.400 0.400 peak 3861 spectrum 1 weight 0.10000E+01 volume 0.89643E-02 ppm1 1.642 ppm2 1.045 CV 1 ASSI { 3862} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HG )) 2.500 0.800 0.800 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.30708E-02 ppm1 1.641 ppm2 1.217 CV 1 ASSI { 3865} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB2 )) 3.200 1.300 1.300 peak 3865 spectrum 1 weight 0.10000E+01 volume 0.17500E-02 ppm1 1.218 ppm2 1.043 CV 1 ASSI { 3869} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HG )) 2.600 0.800 0.800 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.34694E-02 ppm1 0.791 ppm2 1.209 CV 1 ASSI { 3871} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.900 1.000 1.000 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.45278E-02 ppm1 0.471 ppm2 1.392 CV 1 ASSI { 3872} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.300 0.700 0.700 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.54800E-02 ppm1 0.472 ppm2 1.205 CV 1 ASSI { 3873} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 10 and name HD2%) 2.400 0.700 0.700 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.51867E-02 ppm1 0.468 ppm2 1.153 CV 1 ASSI { 3882} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.200 0.600 0.600 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.13501E-01 ppm1 0.470 ppm2 0.798 CV 1 ASSI { 3884} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD1%) 3.400 1.400 1.400 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.21350E-02 ppm1 1.640 ppm2 0.470 CV 1 ASSI { 3886} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD1%) 2.900 1.100 1.100 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.17163E-02 ppm1 1.048 ppm2 0.468 CV 1 ASSI { 3913} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.33746E-02 ppm1 2.896 ppm2 4.849 CV 1 ASSI { 3914} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.36002E-02 ppm1 2.675 ppm2 4.850 CV 1 ASSI { 3917} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HB2 )) 4.900 3.000 1.100 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.32292E-03 ppm1 3.894 ppm2 2.666 CV 1 ASSI { 3918} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HB1 )) 5.200 3.400 0.800 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.39185E-03 ppm1 3.883 ppm2 2.901 CV 1 ASSI { 3923} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HA )) 4.800 2.800 1.200 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.55557E-03 ppm1 4.282 ppm2 4.857 CV 1 ASSI { 3926} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.35175E-02 ppm1 4.273 ppm2 8.674 CV 1 ASSI { 3930} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 2.900 1.100 1.100 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.23324E-02 ppm1 4.044 ppm2 8.259 CV 1 ASSI { 3933} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.200 0.600 0.600 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.93842E-02 ppm1 3.985 ppm2 4.310 CV 1 ASSI { 3935} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.400 0.700 0.700 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.44372E-02 ppm1 4.315 ppm2 8.568 CV 1 ASSI { 3937} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 3.985 ppm2 8.571 CV 1 ASSI { 3938} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.26011E-02 ppm1 4.315 ppm2 8.259 CV 1 ASSI { 3942} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.100 0.600 0.600 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.13932E-01 ppm1 4.313 ppm2 4.029 CV 1 ASSI { 3943} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD1 )) 3.500 1.500 1.500 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 4.312 ppm2 3.204 CV 1 OR { 3943} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 3958} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.000 1.100 1.100 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.25195E-02 ppm1 0.701 ppm2 7.322 CV 1 ASSI { 3961} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.700 1.700 1.700 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.78186E-03 ppm1 0.808 ppm2 7.324 CV 1 ASSI { 3964} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 30 and name HD% ) 4.800 2.800 1.200 peak 3964 spectrum 1 weight 0.10000E+01 volume 0.31218E-03 ppm1 1.458 ppm2 7.323 CV 1 ASSI { 3965} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD% ) 4.300 2.300 1.700 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.47512E-03 ppm1 1.250 ppm2 7.327 CV 1 ASSI { 3970} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.47807E-03 ppm1 0.701 ppm2 6.989 CV 1 ASSI { 3972} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.500 1.500 1.500 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.68297E-03 ppm1 0.699 ppm2 6.762 CV 1 ASSI { 3973} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HD% ) 4.700 2.700 1.300 peak 3973 spectrum 1 weight 0.10000E+01 volume 0.28395E-03 ppm1 0.809 ppm2 6.978 CV 1 ASSI { 3993} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.38159E-03 ppm1 0.699 ppm2 3.548 CV 1 ASSI { 3995} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 2.700 0.900 0.900 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.24499E-02 ppm1 0.700 ppm2 3.304 CV 1 ASSI { 3998} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 3998 spectrum 1 weight 0.10000E+01 volume 0.16579E-02 ppm1 0.701 ppm2 3.025 CV 1 ASSI { 4012} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.13380E-02 ppm1 0.809 ppm2 1.998 CV 1 ASSI { 4016} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.17081E-02 ppm1 4.380 ppm2 1.583 CV 1 ASSI { 4017} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.800 1.000 1.000 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.35136E-02 ppm1 4.372 ppm2 1.447 CV 1 ASSI { 4021} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.300 0.700 0.700 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.78686E-02 ppm1 0.805 ppm2 1.593 CV 1 ASSI { 4022} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.600 0.800 0.800 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.39924E-02 ppm1 0.805 ppm2 1.443 CV 1 ASSI { 4023} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.300 0.700 0.700 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.66332E-02 ppm1 0.699 ppm2 1.584 CV 1 ASSI { 4026} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.300 0.700 0.700 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.64506E-02 ppm1 0.699 ppm2 1.266 CV 1 ASSI { 4027} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 3.300 1.400 1.400 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.36657E-02 ppm1 0.803 ppm2 1.233 CV 1 ASSI { 4028} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB2 )) 2.900 1.100 1.100 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 1.593 ppm2 1.258 CV 1 ASSI { 4029} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.800 0.400 0.400 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.11018E-01 ppm1 1.459 ppm2 1.252 CV 1 ASSI { 4030} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.45849E-02 ppm1 4.376 ppm2 1.244 CV 1 ASSI { 4034} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 3.900 1.900 1.900 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.80817E-03 ppm1 4.379 ppm2 0.809 CV 1 ASSI { 4043} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD1%) 3.100 1.200 1.200 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.80012E-02 ppm1 4.378 ppm2 0.699 CV 1 ASSI { 4044} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD1%) 3.200 1.300 1.300 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 1.459 ppm2 0.701 CV 1 ASSI { 4047} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 26 and name HD1%) 2.400 0.700 0.700 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.82793E-02 ppm1 0.809 ppm2 0.706 CV 1 ASSI { 4049} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.25675E-02 ppm1 2.891 ppm2 8.616 CV 1 ASSI { 4050} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.27946E-02 ppm1 2.882 ppm2 4.718 CV 1 ASSI { 4054} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HN )) 3.100 1.200 1.200 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.21801E-02 ppm1 1.278 ppm2 8.142 CV 1 ASSI { 4055} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.300 0.700 0.700 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.98507E-02 ppm1 4.341 ppm2 8.614 CV 1 ASSI { 4058} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.14719E-02 ppm1 4.229 ppm2 8.608 CV 1 ASSI { 4059} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 2.600 2.600 3.400 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.18977E-02 ppm1 1.279 ppm2 8.614 CV 1 ASSI { 4063} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.31298E-02 ppm1 4.227 ppm2 8.142 CV 1 ASSI { 4070} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HB )) 2.400 0.700 0.700 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.71341E-02 ppm1 1.280 ppm2 4.230 CV 1 ASSI { 4073} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 4.228 ppm2 4.342 CV 1 ASSI { 4078} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HG2%) 2.800 1.000 1.000 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.49107E-02 ppm1 4.341 ppm2 1.276 CV 1 ASSI { 4083} (( segid " " and resid 19 and name HA1 )) ( segid " " and resid 18 and name HB% ) 3.900 1.900 1.900 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 4.090 ppm2 1.551 CV 1 OR { 4083} (( segid " " and resid 19 and name HA1 )) ( segid " " and resid 18 and name HB% ) OR { 4083} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 18 and name HB% ) OR { 4083} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 18 and name HB% ) ASSI { 4086} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 24 and name HG2%) 4.000 2.000 2.000 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.75201E-03 ppm1 4.086 ppm2 1.267 CV 1 OR { 4086} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 24 and name HG2%) OR { 4086} (( segid " " and resid 23 and name HA1 )) ( segid " " and resid 24 and name HG2%) OR { 4086} (( segid " " and resid 23 and name HA1 )) ( segid " " and resid 24 and name HG2%) ASSI { 4103} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.46848E-02 ppm1 4.084 ppm2 8.140 CV 1 OR { 4103} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 24 and name HN )) ASSI { 4105} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.67980E-02 ppm1 4.074 ppm2 8.251 CV 1 OR { 4105} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) OR { 4105} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) OR { 4105} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) ASSI { 4112} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) 2.600 0.900 0.900 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.56383E-02 ppm1 2.839 ppm2 4.730 CV 1 OR { 4112} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) ASSI { 4121} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.600 0.900 0.900 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.52606E-02 ppm1 4.525 ppm2 1.252 CV 1 ASSI { 4123} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HG2%) 2.400 0.700 0.700 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.90948E-02 ppm1 4.383 ppm2 1.252 CV 1 ASSI { 4129} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB )) 2.500 0.800 0.800 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.67674E-02 ppm1 4.525 ppm2 4.395 CV 1 ASSI { 4139} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HN )) 3.300 1.300 1.300 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 4.382 ppm2 8.253 CV 1 ASSI { 4140} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.900 1.100 1.100 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.22528E-02 ppm1 4.527 ppm2 8.250 CV 1 ASSI { 4141} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.83593E-02 ppm1 4.526 ppm2 8.496 CV 1 ASSI { 4144} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.19786E-02 ppm1 2.236 ppm2 8.498 CV 1 ASSI { 4146} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) 3.800 1.800 1.800 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 2.410 ppm2 8.504 CV 1 OR { 4146} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) ASSI { 4148} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 21 and name HN )) 4.500 2.500 1.500 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.35669E-03 ppm1 2.410 ppm2 8.248 CV 1 OR { 4148} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HN )) ASSI { 4150} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 2.247 ppm2 4.477 CV 1 ASSI { 4156} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 2.400 0.700 0.700 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.93579E-02 ppm1 2.080 ppm2 2.403 CV 1 OR { 4156} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) ASSI { 4163} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HB1 )) 2.500 0.800 0.800 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.73381E-02 ppm1 2.406 ppm2 2.236 CV 1 OR { 4163} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB1 )) ASSI { 4177} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) 3.500 1.600 1.600 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.12052E-02 ppm1 1.548 ppm2 8.501 CV 1 ASSI { 4190} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.26649E-02 ppm1 1.548 ppm2 3.947 CV 1 ASSI { 4194} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HB% ) 2.300 0.600 0.600 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 4.376 ppm2 1.544 CV 1 ASSI { 4212} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 40 and name HE% ) 4.100 2.100 1.900 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.47632E-03 ppm1 4.144 ppm2 6.762 CV 1 ASSI { 4213} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.46390E-03 ppm1 4.067 ppm2 6.760 CV 1 ASSI { 4214} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.50122E-02 ppm1 4.147 ppm2 4.572 CV 1 ASSI { 4215} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.46307E-02 ppm1 4.065 ppm2 4.573 CV 1 ASSI { 4226} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) 5.100 3.200 0.900 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.44388E-03 ppm1 4.069 ppm2 2.218 CV 1 ASSI { 4227} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 4.700 2.700 1.300 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.78793E-03 ppm1 4.146 ppm2 2.214 CV 1 ASSI { 4250} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 76 and name HA )) 4.000 2.000 2.000 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 3.103 ppm2 4.496 CV 1 ASSI { 4261} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.69822E-02 ppm1 4.213 ppm2 2.148 CV 1 ASSI { 4263} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 2.401 ppm2 8.243 CV 1 ASSI { 4270} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.900 1.100 1.100 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.49351E-02 ppm1 4.214 ppm2 2.398 CV 1 ASSI { 4271} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) 2.400 0.700 0.700 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.61199E-02 ppm1 2.149 ppm2 2.394 CV 1 ASSI { 4273} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB1 )) 2.600 0.800 0.800 peak 4273 spectrum 1 weight 0.10000E+01 volume 0.56346E-02 ppm1 2.398 ppm2 2.264 CV 1 ASSI { 4281} (( segid " " and resid 15 and name HB )) (( segid " " and resid 28 and name HN )) 4.300 2.300 1.700 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.11742E-02 ppm1 2.289 ppm2 8.570 CV 1 ASSI { 4290} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.40629E-02 ppm1 2.283 ppm2 3.944 CV 1 ASSI { 4291} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.68968E-02 ppm1 1.048 ppm2 3.946 CV 1 ASSI { 4293} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.11781E-01 ppm1 1.048 ppm2 2.283 CV 1 ASSI { 4295} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HB1 )) 4.200 2.200 1.800 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.33855E-03 ppm1 3.944 ppm2 2.006 CV 1 ASSI { 4308} (( segid " " and resid 15 and name HA )) ( segid " " and resid 26 and name HD2%) 3.500 1.500 1.500 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.89842E-03 ppm1 3.950 ppm2 0.807 CV 1 ASSI { 4309} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.800 1.000 1.000 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 1.125 ppm2 0.805 CV 1 ASSI { 4310} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.800 1.000 1.000 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.19728E-02 ppm1 4.401 ppm2 8.417 CV 1 ASSI { 4315} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 0.905 ppm2 8.404 CV 1 ASSI { 4323} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 4323 spectrum 1 weight 0.10000E+01 volume 0.16932E-02 ppm1 0.905 ppm2 7.333 CV 1 OR { 4323} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 4324} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.800 1.000 1.000 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.22691E-02 ppm1 0.906 ppm2 7.221 CV 1 ASSI { 4325} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 30 and name HD% ) 4.500 2.600 1.500 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.30157E-03 ppm1 0.764 ppm2 7.331 CV 1 OR { 4325} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 30 and name HZ )) ASSI { 4326} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.400 1.400 1.400 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.63486E-03 ppm1 0.763 ppm2 7.154 CV 1 ASSI { 4327} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.500 0.800 0.800 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.34864E-02 ppm1 0.764 ppm2 6.952 CV 1 ASSI { 4328} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.300 1.300 1.300 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 0.906 ppm2 6.943 CV 1 ASSI { 4329} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 40 and name HE% ) 5.000 3.100 1.000 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.49245E-03 ppm1 0.903 ppm2 6.766 CV 1 ASSI { 4346} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 4346 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 2.001 ppm2 3.539 CV 1 ASSI { 4347} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.300 1.400 1.400 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.54681E-03 ppm1 1.448 ppm2 3.543 CV 1 ASSI { 4362} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 4.401 ppm2 1.988 CV 1 ASSI { 4366} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 1.700 0.400 0.500 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.11250E-01 ppm1 1.446 ppm2 1.996 CV 1 ASSI { 4369} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.45309E-02 ppm1 0.906 ppm2 1.992 CV 1 ASSI { 4371} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 0.765 ppm2 1.994 CV 1 ASSI { 4372} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG )) 2.300 0.700 0.700 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.57178E-02 ppm1 0.765 ppm2 1.885 CV 1 ASSI { 4376} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.600 0.900 0.900 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.36317E-02 ppm1 4.397 ppm2 1.443 CV 1 ASSI { 4381} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HB2 )) 2.600 0.800 0.800 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.34976E-02 ppm1 0.905 ppm2 1.432 CV 1 ASSI { 4384} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB2 )) 2.900 1.100 1.100 peak 4384 spectrum 1 weight 0.10000E+01 volume 0.41150E-02 ppm1 0.764 ppm2 1.440 CV 1 ASSI { 4390} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD2%) 2.000 0.500 0.500 peak 4390 spectrum 1 weight 0.10000E+01 volume 0.10866E-01 ppm1 1.903 ppm2 1.136 CV 1 ASSI { 4391} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 2.100 0.600 0.600 peak 4391 spectrum 1 weight 0.10000E+01 volume 0.69848E-02 ppm1 4.399 ppm2 0.765 CV 1 ASSI { 4399} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 4399 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 4.402 ppm2 8.238 CV 1 ASSI { 4411} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG1 )) 4.300 2.300 1.700 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.56641E-03 ppm1 4.407 ppm2 2.625 CV 1 ASSI { 4414} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.100 1.200 1.200 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.14327E-02 ppm1 4.404 ppm2 2.280 CV 1 ASSI { 4416} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.300 1.400 1.400 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 4.402 ppm2 2.138 CV 1 ASSI { 4422} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HB% ) 2.100 0.500 0.500 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.13414E-01 ppm1 4.404 ppm2 1.675 CV 1 ASSI { 4428} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE )) 3.500 1.500 1.500 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.66933E-03 ppm1 3.374 ppm2 7.525 CV 1 ASSI { 4431} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) 2.800 1.000 1.000 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.34694E-02 ppm1 3.379 ppm2 2.033 CV 1 OR { 4431} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB1 )) ASSI { 4433} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.37561E-02 ppm1 3.378 ppm2 1.696 CV 1 ASSI { 4436} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG2%) 3.000 1.100 1.100 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.39620E-02 ppm1 4.042 ppm2 1.129 CV 1 ASSI { 4437} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 4.042 ppm2 1.036 CV 1 ASSI { 4451} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.200 0.600 0.600 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.10399E-01 ppm1 4.042 ppm2 2.037 CV 1 OR { 4451} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) ASSI { 4452} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 3.300 1.400 1.400 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.26749E-02 ppm1 4.043 ppm2 1.931 CV 1 ASSI { 4454} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB1 )) 1.700 0.400 0.500 peak 4454 spectrum 1 weight 0.10000E+01 volume 0.99855E-02 ppm1 2.043 ppm2 2.197 CV 1 OR { 4454} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB1 )) ASSI { 4459} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HG1 )) 1.600 0.300 0.600 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.13002E-01 ppm1 1.703 ppm2 1.928 CV 1 ASSI { 4477} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.24648E-02 ppm1 1.702 ppm2 4.040 CV 1 ASSI { 4480} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.27200E-02 ppm1 2.063 ppm2 4.629 CV 1 OR { 4480} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 4481} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 9 and name HA )) 3.600 1.600 1.600 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.54843E-03 ppm1 3.382 ppm2 4.555 CV 1 ASSI { 4482} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 9 and name HA )) 4.500 2.600 1.500 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.59954E-03 ppm1 3.321 ppm2 4.552 CV 1 ASSI { 4488} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.17811E-02 ppm1 4.044 ppm2 7.714 CV 1 ASSI { 4494} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.85407E-03 ppm1 4.041 ppm2 8.471 CV 1 ASSI { 4500} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 4500 spectrum 1 weight 0.10000E+01 volume 0.67932E-03 ppm1 1.699 ppm2 7.998 CV 1 ASSI { 4507} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.700 1.700 1.700 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 2.064 ppm2 7.224 CV 1 OR { 4507} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) ASSI { 4521} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.93042E-03 ppm1 3.545 ppm2 8.403 CV 1 ASSI { 4544} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) 2.900 1.100 1.100 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 2.058 ppm2 3.220 CV 1 OR { 4544} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) OR { 4544} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) OR { 4544} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) ASSI { 4546} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD2 )) 2.500 0.800 0.800 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 1.415 ppm2 3.218 CV 1 OR { 4546} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 4547} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 1.417 ppm2 3.543 CV 1 ASSI { 4549} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) 2.600 0.900 0.900 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.28402E-02 ppm1 1.188 ppm2 3.215 CV 1 OR { 4549} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 4558} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 2.600 0.900 0.900 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.28703E-02 ppm1 1.187 ppm2 2.054 CV 1 OR { 4558} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 4559} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.32027E-02 ppm1 1.414 ppm2 2.055 CV 1 OR { 4559} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 4560} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.59245E-02 ppm1 3.542 ppm2 2.050 CV 1 OR { 4560} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 4566} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HG1 )) 1.800 0.400 0.400 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.75271E-02 ppm1 1.186 ppm2 1.414 CV 1 ASSI { 4567} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG1 )) 2.400 0.700 0.700 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.38132E-02 ppm1 3.232 ppm2 1.414 CV 1 ASSI { 4569} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.33073E-02 ppm1 3.236 ppm2 1.183 CV 1 ASSI { 4574} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 3.000 1.100 1.100 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.19391E-02 ppm1 3.540 ppm2 0.910 CV 1 ASSI { 4583} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.600 0.900 0.900 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.35323E-02 ppm1 1.577 ppm2 8.071 CV 1 ASSI { 4584} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.26501E-02 ppm1 4.220 ppm2 8.069 CV 1 ASSI { 4587} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HN )) 4.500 2.500 1.500 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.96166E-03 ppm1 1.137 ppm2 8.068 CV 1 ASSI { 4589} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 1.136 ppm2 8.740 CV 1 ASSI { 4593} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.10515E-02 ppm1 4.219 ppm2 8.858 CV 1 ASSI { 4604} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.82696E-03 ppm1 1.051 ppm2 7.222 CV 1 ASSI { 4609} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.800 1.000 1.000 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 1.137 ppm2 7.223 CV 1 ASSI { 4613} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.900 1.900 1.900 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.54043E-03 ppm1 1.051 ppm2 6.925 CV 1 OR { 4613} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 4616} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 2.337 ppm2 4.219 CV 1 ASSI { 4622} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 31 and name HA )) 4.300 2.300 1.700 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.41638E-03 ppm1 1.135 ppm2 3.330 CV 1 ASSI { 4631} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.400 0.700 0.700 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.47199E-02 ppm1 1.137 ppm2 2.325 CV 1 ASSI { 4632} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.21112E-02 ppm1 1.136 ppm2 2.030 CV 1 ASSI { 4634} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.400 1.400 1.400 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.27556E-02 ppm1 1.052 ppm2 2.334 CV 1 ASSI { 4641} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.400 0.700 0.700 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.29797E-02 ppm1 2.338 ppm2 1.901 CV 1 ASSI { 4655} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 5 and name HD1%) 4.700 2.800 1.300 peak 4655 spectrum 1 weight 0.10000E+01 volume 0.66176E-03 ppm1 1.136 ppm2 0.620 CV 1 OR { 4655} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 5 and name HD2%) ASSI { 4666} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.16475E-02 ppm1 2.338 ppm2 0.807 CV 1 ASSI { 4669} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD1%) 3.600 1.600 1.600 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 4.222 ppm2 0.634 CV 1 OR { 4669} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 4672} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD2%) 3.100 1.200 1.200 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.24818E-02 ppm1 2.700 ppm2 0.638 CV 1 OR { 4672} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 4686} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HB2 )) 1.700 0.300 0.500 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.16357E-01 ppm1 3.041 ppm2 2.697 CV 1 ASSI { 4698} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.400 0.700 0.700 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.84956E-02 ppm1 2.719 ppm2 4.630 CV 1 OR { 4698} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 4708} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 2.700 ppm2 9.060 CV 1 ASSI { 4722} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) 4.600 2.600 1.400 peak 4722 spectrum 1 weight 0.10000E+01 volume 0.27698E-03 ppm1 3.876 ppm2 7.892 CV 1 ASSI { 4723} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 3.900 1.900 1.900 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.49686E-03 ppm1 3.873 ppm2 8.259 CV 1 ASSI { 4725} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.23709E-02 ppm1 4.326 ppm2 8.245 CV 1 ASSI { 4726} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 3.800 1.800 1.800 peak 4726 spectrum 1 weight 0.10000E+01 volume 0.11221E-02 ppm1 1.395 ppm2 8.248 CV 1 ASSI { 4736} (( segid " " and resid 7 and name HB )) (( segid " " and resid 30 and name HZ )) 4.300 2.300 1.700 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.82895E-03 ppm1 4.327 ppm2 7.356 CV 1 ASSI { 4739} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 4739 spectrum 1 weight 0.10000E+01 volume 0.42865E-03 ppm1 3.873 ppm2 7.210 CV 1 ASSI { 4740} (( segid " " and resid 7 and name HB )) ( segid " " and resid 30 and name HE% ) 4.800 2.900 1.200 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.44823E-03 ppm1 4.328 ppm2 7.225 CV 1 ASSI { 4741} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.600 0.900 0.900 peak 4741 spectrum 1 weight 0.10000E+01 volume 0.50157E-02 ppm1 1.393 ppm2 7.221 CV 1 ASSI { 4744} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.42610E-03 ppm1 1.391 ppm2 4.642 CV 1 ASSI { 4756} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 4756 spectrum 1 weight 0.10000E+01 volume 0.62858E-02 ppm1 1.392 ppm2 4.325 CV 1 ASSI { 4762} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.47887E-02 ppm1 1.391 ppm2 3.874 CV 1 ASSI { 4770} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD1%) 3.500 1.500 1.500 peak 4770 spectrum 1 weight 0.10000E+01 volume 0.98314E-03 ppm1 3.876 ppm2 0.466 CV 1 ASSI { 4776} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD2%) 2.700 0.900 0.900 peak 4776 spectrum 1 weight 0.10000E+01 volume 0.38521E-02 ppm1 1.392 ppm2 0.785 CV 1 ASSI { 4778} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 3.400 1.400 1.400 peak 4778 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 3.876 ppm2 1.139 CV 1 ASSI { 4782} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HG )) 4.900 3.000 1.100 peak 4782 spectrum 1 weight 0.10000E+01 volume 0.31358E-03 ppm1 3.882 ppm2 1.905 CV 1 ASSI { 4783} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.600 0.900 0.900 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 3.876 ppm2 2.333 CV 1 ASSI { 4791} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HB2 )) 4.800 2.900 1.200 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.45803E-03 ppm1 4.320 ppm2 2.722 CV 1 OR { 4791} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HB1 )) ASSI { 4801} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.200 1.200 1.200 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.18938E-02 ppm1 1.421 ppm2 4.538 CV 1 ASSI { 4802} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HN )) 4.800 2.800 1.200 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.62074E-03 ppm1 1.423 ppm2 8.251 CV 1 ASSI { 4803} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.600 0.900 0.900 peak 4803 spectrum 1 weight 0.10000E+01 volume 0.49867E-02 ppm1 1.421 ppm2 9.060 CV 1 ASSI { 4805} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.200 2.200 1.800 peak 4805 spectrum 1 weight 0.10000E+01 volume 0.16594E-02 ppm1 1.421 ppm2 8.846 CV 1 ASSI { 4809} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HN )) 4.600 2.600 1.400 peak 4809 spectrum 1 weight 0.10000E+01 volume 0.53415E-03 ppm1 1.421 ppm2 7.898 CV 1 ASSI { 4810} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HN )) 4.100 2.100 1.900 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.99431E-03 ppm1 0.645 ppm2 9.445 CV 1 ASSI { 4811} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HN )) 2.400 0.700 0.700 peak 4811 spectrum 1 weight 0.10000E+01 volume 0.27132E-02 ppm1 1.377 ppm2 9.438 CV 1 ASSI { 4812} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.500 0.800 0.800 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.34741E-02 ppm1 4.545 ppm2 9.438 CV 1 ASSI { 4814} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 4814 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 0.644 ppm2 9.064 CV 1 ASSI { 4815} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.100 0.600 0.600 peak 4815 spectrum 1 weight 0.10000E+01 volume 0.94314E-02 ppm1 4.545 ppm2 9.060 CV 1 ASSI { 4823} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.90975E-03 ppm1 0.644 ppm2 8.069 CV 1 ASSI { 4828} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.600 0.900 0.900 peak 4828 spectrum 1 weight 0.10000E+01 volume 0.24855E-02 ppm1 1.571 ppm2 8.273 CV 1 ASSI { 4830} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.600 1.600 1.600 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 0.644 ppm2 7.437 CV 1 ASSI { 4831} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.400 1.500 1.500 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.86578E-03 ppm1 0.613 ppm2 7.436 CV 1 ASSI { 4832} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HD21)) 5.900 4.400 0.100 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.22538E-03 ppm1 0.651 ppm2 7.330 CV 1 ASSI { 4838} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HE% ) 2.900 1.100 1.100 peak 4838 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 0.647 ppm2 6.821 CV 1 ASSI { 4840} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HA )) 5.300 3.600 0.700 peak 4840 spectrum 1 weight 0.10000E+01 volume 0.28824E-03 ppm1 0.649 ppm2 4.918 CV 1 ASSI { 4841} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 79 and name HA )) 4.400 2.500 1.600 peak 4841 spectrum 1 weight 0.10000E+01 volume 0.22641E-03 ppm1 0.610 ppm2 4.925 CV 1 ASSI { 4846} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 4846 spectrum 1 weight 0.10000E+01 volume 0.33561E-02 ppm1 0.646 ppm2 4.545 CV 1 ASSI { 4847} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.800 1.800 1.800 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.25522E-02 ppm1 0.612 ppm2 4.544 CV 1 ASSI { 4849} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 3.000 1.100 1.100 peak 4849 spectrum 1 weight 0.10000E+01 volume 0.20641E-02 ppm1 1.567 ppm2 4.545 CV 1 ASSI { 4850} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 4850 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 1.595 ppm2 4.542 CV 1 ASSI { 4852} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 4852 spectrum 1 weight 0.10000E+01 volume 0.72093E-03 ppm1 0.646 ppm2 4.358 CV 1 ASSI { 4856} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HA )) 3.700 1.700 1.700 peak 4856 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 0.611 ppm2 3.900 CV 1 ASSI { 4860} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB1 )) 2.800 1.000 1.000 peak 4860 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 0.649 ppm2 3.042 CV 1 ASSI { 4865} (( segid " " and resid 5 and name HA )) (( segid " " and resid 9 and name HB1 )) 4.900 3.000 1.100 peak 4865 spectrum 1 weight 0.10000E+01 volume 0.42946E-03 ppm1 4.536 ppm2 3.039 CV 1 ASSI { 4869} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 3.100 1.200 1.200 peak 4869 spectrum 1 weight 0.10000E+01 volume 0.21878E-02 ppm1 0.648 ppm2 2.699 CV 1 ASSI { 4870} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HB1 )) 5.100 3.300 0.900 peak 4870 spectrum 1 weight 0.10000E+01 volume 0.39875E-03 ppm1 0.641 ppm2 2.325 CV 1 ASSI { 4874} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 2.900 1.100 1.100 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 0.610 ppm2 1.947 CV 1 ASSI { 4877} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HG )) 4.000 2.000 2.000 peak 4877 spectrum 1 weight 0.10000E+01 volume 0.99629E-03 ppm1 0.612 ppm2 1.706 CV 1 ASSI { 4878} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.100 0.600 0.600 peak 4878 spectrum 1 weight 0.10000E+01 volume 0.94218E-02 ppm1 0.611 ppm2 1.577 CV 1 OR { 4878} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 4879} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.300 1.300 1.300 peak 4879 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 0.643 ppm2 1.383 CV 1 ASSI { 4880} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 4880 spectrum 1 weight 0.10000E+01 volume 0.31110E-02 ppm1 0.611 ppm2 1.378 CV 1 ASSI { 4884} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 1.700 0.400 0.500 peak 4884 spectrum 1 weight 0.10000E+01 volume 0.10234E-01 ppm1 1.376 ppm2 1.582 CV 1 OR { 4884} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG )) ASSI { 4885} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.300 0.700 0.700 peak 4885 spectrum 1 weight 0.10000E+01 volume 0.59803E-02 ppm1 4.545 ppm2 1.584 CV 1 OR { 4885} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) ASSI { 4886} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.700 0.900 0.900 peak 4886 spectrum 1 weight 0.10000E+01 volume 0.42879E-02 ppm1 4.545 ppm2 1.385 CV 1 ASSI { 4887} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 4887 spectrum 1 weight 0.10000E+01 volume 0.58005E-02 ppm1 1.566 ppm2 1.375 CV 1 ASSI { 4888} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HG12)) 5.100 3.200 0.900 peak 4888 spectrum 1 weight 0.10000E+01 volume 0.42941E-03 ppm1 0.615 ppm2 1.292 CV 1 ASSI { 4891} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD2%) 4.700 2.700 1.300 peak 4891 spectrum 1 weight 0.10000E+01 volume 0.66160E-03 ppm1 0.607 ppm2 1.166 CV 1 ASSI { 4897} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD1%) 3.000 1.100 1.100 peak 4897 spectrum 1 weight 0.10000E+01 volume 0.41431E-02 ppm1 0.644 ppm2 0.848 CV 1 ASSI { 4898} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 2.600 0.800 0.800 peak 4898 spectrum 1 weight 0.10000E+01 volume 0.27195E-02 ppm1 1.577 ppm2 0.615 CV 1 ASSI { 4899} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD1%) 2.900 1.000 1.000 peak 4899 spectrum 1 weight 0.10000E+01 volume 0.22007E-02 ppm1 1.375 ppm2 0.627 CV 1 OR { 4899} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 4900} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 2.500 0.800 0.800 peak 4900 spectrum 1 weight 0.10000E+01 volume 0.35207E-02 ppm1 4.545 ppm2 0.633 CV 1 OR { 4900} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 4902} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 75 and name HD1%) 2.900 1.000 1.000 peak 4902 spectrum 1 weight 0.10000E+01 volume 0.13374E-02 ppm1 1.381 ppm2 0.804 CV 1 ASSI { 4904} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.600 0.900 0.900 peak 4904 spectrum 1 weight 0.10000E+01 volume 0.35700E-02 ppm1 4.367 ppm2 8.163 CV 1 ASSI { 4905} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 4905 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 1.490 ppm2 8.166 CV 1 ASSI { 4906} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.500 0.800 0.800 peak 4906 spectrum 1 weight 0.10000E+01 volume 0.44438E-02 ppm1 1.726 ppm2 8.162 CV 1 ASSI { 4914} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 2.000 0.500 0.500 peak 4914 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 4.370 ppm2 9.438 CV 1 ASSI { 4916} (( segid " " and resid 4 and name HG )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 4916 spectrum 1 weight 0.10000E+01 volume 0.80108E-03 ppm1 1.723 ppm2 9.437 CV 1 ASSI { 4917} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) 4.200 2.200 1.800 peak 4917 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 0.893 ppm2 9.437 CV 1 ASSI { 4930} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD22)) 4.300 2.300 1.700 peak 4930 spectrum 1 weight 0.10000E+01 volume 0.63706E-03 ppm1 0.895 ppm2 7.673 CV 1 ASSI { 4934} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD21)) 4.100 2.100 1.900 peak 4934 spectrum 1 weight 0.10000E+01 volume 0.56926E-03 ppm1 0.894 ppm2 7.363 CV 1 ASSI { 4937} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.600 1.700 1.700 peak 4937 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 0.894 ppm2 4.914 CV 1 ASSI { 4944} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 4944 spectrum 1 weight 0.10000E+01 volume 0.22518E-02 ppm1 1.724 ppm2 4.366 CV 1 ASSI { 4945} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 4945 spectrum 1 weight 0.10000E+01 volume 0.31860E-02 ppm1 1.616 ppm2 4.370 CV 1 ASSI { 4946} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 4946 spectrum 1 weight 0.10000E+01 volume 0.10387E-02 ppm1 0.965 ppm2 4.387 CV 1 ASSI { 4953} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.300 1.300 1.300 peak 4953 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 0.896 ppm2 3.104 CV 1 ASSI { 4955} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.600 1.600 1.600 peak 4955 spectrum 1 weight 0.10000E+01 volume 0.23572E-02 ppm1 0.895 ppm2 2.778 CV 1 ASSI { 4958} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HB1 )) 3.800 1.900 1.900 peak 4958 spectrum 1 weight 0.10000E+01 volume 0.25502E-02 ppm1 0.894 ppm2 2.012 CV 1 ASSI { 4962} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 2.400 0.700 0.700 peak 4962 spectrum 1 weight 0.10000E+01 volume 0.73752E-02 ppm1 0.895 ppm2 1.718 CV 1 ASSI { 4963} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.400 0.700 0.700 peak 4963 spectrum 1 weight 0.10000E+01 volume 0.68576E-02 ppm1 0.894 ppm2 1.617 CV 1 ASSI { 4973} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.900 1.100 1.100 peak 4973 spectrum 1 weight 0.10000E+01 volume 0.34864E-02 ppm1 4.365 ppm2 1.501 CV 1 ASSI { 4977} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HG )) 2.500 0.800 0.800 peak 4977 spectrum 1 weight 0.10000E+01 volume 0.91764E-02 ppm1 1.620 ppm2 1.719 CV 1 ASSI { 4978} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB2 )) 2.200 0.600 0.600 peak 4978 spectrum 1 weight 0.10000E+01 volume 0.78847E-02 ppm1 1.721 ppm2 1.495 CV 1 ASSI { 4983} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HD2%) 4.600 2.600 1.400 peak 4983 spectrum 1 weight 0.10000E+01 volume 0.61242E-03 ppm1 4.369 ppm2 0.634 CV 1 OR { 4983} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 4986} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 3.900 1.900 1.900 peak 4986 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 1.388 ppm2 8.159 CV 1 ASSI { 4987} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 1.900 0.500 0.500 peak 4987 spectrum 1 weight 0.10000E+01 volume 0.20302E-01 ppm1 4.399 ppm2 8.161 CV 1 ASSI { 4997} (( segid " " and resid 3 and name HB )) (( segid " " and resid 3 and name HA )) 2.200 0.600 0.600 peak 4997 spectrum 1 weight 0.10000E+01 volume 0.10738E-01 ppm1 4.193 ppm2 4.393 CV 1 ASSI { 5001} (( segid " " and resid 3 and name HB )) ( segid " " and resid 3 and name HG2%) 2.400 0.700 0.700 peak 5001 spectrum 1 weight 0.10000E+01 volume 0.80973E-02 ppm1 4.193 ppm2 1.387 CV 1 ASSI { 5016} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HB% ) 2.500 0.800 0.800 peak 5016 spectrum 1 weight 0.10000E+01 volume 0.64893E-02 ppm1 4.293 ppm2 1.656 CV 1 ASSI { 5018} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD2%) 2.700 0.900 0.900 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.49186E-02 ppm1 1.658 ppm2 0.991 CV 1 ASSI { 5019} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD1%) 3.700 1.700 1.700 peak 5019 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 1.657 ppm2 0.885 CV 1 ASSI { 5042} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG2%) 4.000 2.000 2.000 peak 5042 spectrum 1 weight 0.10000E+01 volume 0.40404E-03 ppm1 6.906 ppm2 1.154 CV 1 OR { 5042} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG1%) ASSI { 5045} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD1%) 5.700 4.000 0.300 peak 5045 spectrum 1 weight 0.10000E+01 volume 0.96762E-04 ppm1 6.908 ppm2 0.773 CV 1 ASSI { 5051} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 45 and name HD2%) 5.400 3.600 0.600 peak 5051 spectrum 1 weight 0.10000E+01 volume 0.64786E-04 ppm1 6.904 ppm2 0.382 CV 1 ASSI { 5061} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 35 and name HD% ) 4.700 2.800 1.300 peak 5061 spectrum 1 weight 0.10000E+01 volume 0.27202E-03 ppm1 6.907 ppm2 7.149 CV 1 ASSI { 5064} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 10 and name HB1 )) 4.100 2.100 1.900 peak 5064 spectrum 1 weight 0.10000E+01 volume 0.26270E-03 ppm1 7.361 ppm2 2.341 CV 1 ASSI { 5065} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 5065 spectrum 1 weight 0.10000E+01 volume 0.26488E-03 ppm1 7.356 ppm2 3.552 CV 1 ASSI { 5066} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 30 and name HE% ) 2.400 0.700 0.700 peak 5066 spectrum 1 weight 0.10000E+01 volume 0.33977E-02 ppm1 7.352 ppm2 7.225 CV 1 ASSI { 5068} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 5068 spectrum 1 weight 0.10000E+01 volume 0.49282E-03 ppm1 7.351 ppm2 8.847 CV 1 ASSI { 5069} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 71 and name HG2 )) 6.000 4.500 0.000 peak 5069 spectrum 1 weight 0.10000E+01 volume 0.16841E-03 ppm1 6.917 ppm2 1.356 CV 1 ASSI { 5072} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD1%) 2.300 0.700 0.700 peak 5072 spectrum 1 weight 0.10000E+01 volume 0.55766E-02 ppm1 0.885 ppm2 0.620 CV 1 ASSI { 5074} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 60 and name HD1%) 2.300 0.700 0.700 peak 5074 spectrum 1 weight 0.10000E+01 volume 0.55208E-02 ppm1 1.026 ppm2 0.847 CV 1 ASSI { 5077} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HB1 )) 2.600 0.900 0.900 peak 5077 spectrum 1 weight 0.10000E+01 volume 0.34548E-02 ppm1 1.065 ppm2 1.802 CV 1 OR { 5077} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HG )) ASSI { 5083} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 5083 spectrum 1 weight 0.10000E+01 volume 0.29191E-02 ppm1 1.184 ppm2 1.697 CV 1 ASSI { 5085} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 5085 spectrum 1 weight 0.10000E+01 volume 0.49258E-02 ppm1 1.065 ppm2 2.454 CV 1 ASSI { 5087} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.200 1.200 1.200 peak 5087 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 1.064 ppm2 3.081 CV 1 ASSI { 5089} ( segid " " and resid 85 and name HB% ) ( segid " " and resid 82 and name HD2%) 3.000 1.200 1.200 peak 5089 spectrum 1 weight 0.10000E+01 volume 0.27571E-02 ppm1 1.577 ppm2 0.984 CV 1 ASSI { 5091} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 5091 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 1.048 ppm2 4.212 CV 1 ASSI { 5094} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB1 )) 3.200 1.300 1.300 peak 5094 spectrum 1 weight 0.10000E+01 volume 0.10367E-02 ppm1 1.073 ppm2 2.037 CV 1 OR { 5094} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 5103} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.600 0.800 0.800 peak 5103 spectrum 1 weight 0.10000E+01 volume 0.48901E-02 ppm1 0.894 ppm2 1.483 CV 1 ASSI { 5109} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HG )) 2.300 0.600 0.600 peak 5109 spectrum 1 weight 0.10000E+01 volume 0.68716E-02 ppm1 0.997 ppm2 1.856 CV 1 ASSI { 5110} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HG )) 2.700 0.900 0.900 peak 5110 spectrum 1 weight 0.10000E+01 volume 0.34806E-02 ppm1 1.073 ppm2 1.744 CV 1 ASSI { 5111} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG )) 2.600 0.900 0.900 peak 5111 spectrum 1 weight 0.10000E+01 volume 0.38605E-02 ppm1 1.018 ppm2 1.745 CV 1 ASSI { 5117} (( segid " " and resid 75 and name HG )) ( segid " " and resid 75 and name HD2%) 1.900 0.500 0.500 peak 5117 spectrum 1 weight 0.10000E+01 volume 0.19304E-01 ppm1 1.703 ppm2 0.880 CV 1 ASSI { 5119} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HB2 )) 3.700 1.700 1.700 peak 5119 spectrum 1 weight 0.10000E+01 volume 0.96183E-03 ppm1 0.995 ppm2 1.358 CV 1 ASSI { 5137} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 5137 spectrum 1 weight 0.10000E+01 volume 0.30653E-02 ppm1 2.712 ppm2 8.687 CV 1 ASSI { 5140} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD2%) 3.000 1.100 1.100 peak 5140 spectrum 1 weight 0.10000E+01 volume 0.18267E-02 ppm1 1.047 ppm2 0.787 CV 1 ASSI { 5141} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 5141 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 1.048 ppm2 3.321 CV 1 ASSI { 5144} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 5144 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 1.448 ppm2 8.407 CV 1 ASSI { 5146} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 3.700 1.700 1.700 peak 5146 spectrum 1 weight 0.10000E+01 volume 0.77053E-03 ppm1 2.441 ppm2 6.904 CV 1 ASSI { 5148} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 5148 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 3.454 ppm2 6.926 CV 1 OR { 5148} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HZ )) ASSI { 5149} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HB2 )) 4.300 2.300 1.700 peak 5149 spectrum 1 weight 0.10000E+01 volume 0.35009E-03 ppm1 4.274 ppm2 2.661 CV 1 ASSI { 5150} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) 3.300 1.400 1.400 peak 5150 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 4.477 ppm2 2.389 CV 1 OR { 5150} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) ASSI { 5154} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 5154 spectrum 1 weight 0.10000E+01 volume 0.58799E-02 ppm1 4.559 ppm2 2.698 CV 1 ASSI { 5156} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 3.300 1.300 1.300 peak 5156 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 4.218 ppm2 1.905 CV 1 ASSI { 5157} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 3.600 1.600 1.600 peak 5157 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 4.398 ppm2 1.875 CV 1 ASSI { 5163} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.900 1.100 1.100 peak 5163 spectrum 1 weight 0.10000E+01 volume 0.24509E-02 ppm1 4.703 ppm2 8.112 CV 1 ASSI { 5168} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 3.300 1.300 1.300 peak 5168 spectrum 1 weight 0.10000E+01 volume 0.22802E-02 ppm1 4.706 ppm2 2.810 CV 1 ASSI { 5172} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 5172 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 4.385 ppm2 8.435 CV 1 ASSI { 5174} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 3.700 1.700 1.700 peak 5174 spectrum 1 weight 0.10000E+01 volume 0.61994E-03 ppm1 4.358 ppm2 7.828 CV 1 ASSI { 5175} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HB1 )) 3.300 1.400 1.400 peak 5175 spectrum 1 weight 0.10000E+01 volume 0.93541E-03 ppm1 1.048 ppm2 2.442 CV 1 ASSI { 5187} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HA1 )) 1.700 0.300 0.500 peak 5187 spectrum 1 weight 0.10000E+01 volume 0.21946E-01 ppm1 3.879 ppm2 4.271 CV 1 ASSI { 5188} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HA )) 4.600 2.600 1.400 peak 5188 spectrum 1 weight 0.10000E+01 volume 0.54026E-03 ppm1 3.892 ppm2 4.864 CV 1 ASSI { 5202} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H42B)) 4.600 2.700 1.400 peak 5202 spectrum 1 weight 0.10000E+01 volume 0.31212E-03 ppm1 1.424 ppm2 3.439 CV 1 OR { 5202} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H42A)) ASSI { 5203} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 68 and name HB )) 5.400 3.700 0.600 peak 5203 spectrum 1 weight 0.10000E+01 volume 0.29292E-03 ppm1 1.414 ppm2 2.377 CV 1 ASSI { 1} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB2 )) 3.100 3.100 2.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.56174E-03 ppm1 9.077 ppm2 1.029 CV 1 ASSI { 2} (( segid " " and resid 72 and name HE )) ( segid " " and resid 31 and name HD2%) 4.000 2.000 2.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.35471E-03 ppm1 9.079 ppm2 0.778 CV 1 ASSI { 3} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HA )) 4.800 2.900 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.34984E-03 ppm1 9.079 ppm2 3.601 CV 1 ASSI { 7} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 2.500 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.17179E-02 ppm1 9.077 ppm2 1.629 CV 1 ASSI { 8} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HG2 )) 3.800 1.800 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.82642E-03 ppm1 9.077 ppm2 1.519 CV 1 ASSI { 9} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH22)) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.31414E-02 ppm1 9.077 ppm2 6.898 CV 1 OR { 9} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH21)) OR { 9} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH12)) OR { 9} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH11)) ASSI { 10} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.900 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.27368E-02 ppm1 8.241 ppm2 1.535 CV 1 ASSI { 11} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG1%) 4.500 2.600 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19358E-03 ppm1 8.244 ppm2 1.039 CV 1 ASSI { 12} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.93428E-02 ppm1 8.241 ppm2 4.061 CV 1 OR { 12} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) ASSI { 13} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.700 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.59159E-03 ppm1 8.241 ppm2 3.944 CV 1 ASSI { 14} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.900 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.42371E-02 ppm1 8.241 ppm2 4.363 CV 1 ASSI { 16} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19110E-02 ppm1 8.242 ppm2 8.497 CV 1 ASSI { 18} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 4.100 2.100 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.65859E-03 ppm1 7.724 ppm2 2.453 CV 1 ASSI { 19} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 4.000 2.000 2.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.56496E-03 ppm1 7.725 ppm2 1.835 CV 1 ASSI { 20} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 4.600 2.600 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.50075E-03 ppm1 7.722 ppm2 1.539 CV 1 ASSI { 21} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.46774E-03 ppm1 7.723 ppm2 1.054 CV 1 ASSI { 22} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 5.800 4.300 0.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24231E-03 ppm1 7.725 ppm2 0.882 CV 1 ASSI { 23} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.700 2.700 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.49308E-03 ppm1 7.721 ppm2 2.993 CV 1 ASSI { 24} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 7.725 ppm2 4.633 CV 1 ASSI { 25} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12556E-02 ppm1 7.724 ppm2 4.361 CV 1 ASSI { 28} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 4.200 2.200 1.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.29675E-03 ppm1 7.720 ppm2 4.805 CV 1 ASSI { 29} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 7.724 ppm2 7.550 CV 1 ASSI { 30} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.44403E-02 ppm1 7.725 ppm2 8.038 CV 1 ASSI { 31} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.50865E-03 ppm1 7.721 ppm2 6.983 CV 1 ASSI { 32} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 7.666 ppm2 1.693 CV 1 ASSI { 33} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB1 )) 3.800 1.800 1.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.11506E-02 ppm1 7.667 ppm2 1.587 CV 1 OR { 33} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) ASSI { 34} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) 4.500 2.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.68791E-03 ppm1 7.667 ppm2 1.478 CV 1 ASSI { 35} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 3.200 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.61752E-03 ppm1 7.668 ppm2 1.368 CV 1 ASSI { 36} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) 3.000 1.200 1.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.67416E-03 ppm1 7.667 ppm2 0.962 CV 1 ASSI { 38} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD1%) 3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 7.666 ppm2 0.792 CV 1 ASSI { 39} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.14161E-02 ppm1 7.359 ppm2 1.694 CV 1 ASSI { 40} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB1 )) 3.900 1.900 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.15243E-02 ppm1 7.358 ppm2 1.584 CV 1 OR { 40} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HG )) ASSI { 41} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB2 )) 4.200 2.300 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 7.358 ppm2 1.475 CV 1 ASSI { 42} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB2 )) 3.600 1.600 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.66192E-03 ppm1 7.360 ppm2 1.367 CV 1 ASSI { 43} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) 3.700 1.700 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.70777E-03 ppm1 7.356 ppm2 0.962 CV 1 ASSI { 46} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 76 and name HA )) 4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.64855E-03 ppm1 7.666 ppm2 4.486 CV 1 ASSI { 48} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HA )) 4.700 2.800 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.40731E-03 ppm1 7.356 ppm2 4.354 CV 1 ASSI { 49} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB1 )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.29487E-02 ppm1 7.668 ppm2 3.087 CV 1 ASSI { 50} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB1 )) 2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 7.358 ppm2 3.088 CV 1 ASSI { 52} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB2 )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.11903E-02 ppm1 7.358 ppm2 2.772 CV 1 ASSI { 53} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 7.666 ppm2 9.427 CV 1 ASSI { 54} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HN )) 4.400 2.400 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.60915E-03 ppm1 7.668 ppm2 8.874 CV 1 ASSI { 55} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 7.359 ppm2 9.428 CV 1 ASSI { 56} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HN )) 4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.44497E-03 ppm1 7.356 ppm2 8.870 CV 1 ASSI { 57} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HA )) 4.600 2.600 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.37290E-03 ppm1 7.667 ppm2 4.900 CV 1 ASSI { 58} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HA )) 4.700 2.700 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15924E-03 ppm1 7.357 ppm2 4.899 CV 1 ASSI { 59} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 76 and name HA )) 4.700 2.800 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.24282E-03 ppm1 7.359 ppm2 4.491 CV 1 ASSI { 60} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HA )) 5.100 3.200 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.31842E-03 ppm1 7.668 ppm2 4.362 CV 1 ASSI { 61} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 7.483 ppm2 2.996 CV 1 ASSI { 62} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.900 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13773E-02 ppm1 7.481 ppm2 2.861 CV 1 ASSI { 63} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HG1 )) 4.700 2.700 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.69231E-03 ppm1 7.482 ppm2 2.620 CV 1 ASSI { 64} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.600 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.30189E-02 ppm1 7.481 ppm2 2.459 CV 1 ASSI { 65} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.300 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.16787E-02 ppm1 7.482 ppm2 2.279 CV 1 ASSI { 68} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 7.481 ppm2 4.929 CV 1 ASSI { 69} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB )) 4.000 2.000 2.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.54622E-03 ppm1 7.484 ppm2 4.613 CV 1 ASSI { 70} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 4.200 2.200 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14766E-02 ppm1 7.481 ppm2 4.441 CV 1 ASSI { 71} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.58982E-02 ppm1 7.481 ppm2 9.145 CV 1 ASSI { 72} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.99554E-03 ppm1 7.331 ppm2 2.043 CV 1 OR { 72} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) ASSI { 74} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG2 )) 3.700 1.700 1.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.65859E-03 ppm1 7.330 ppm2 1.182 CV 1 ASSI { 75} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) 2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.26470E-02 ppm1 7.330 ppm2 3.202 CV 1 ASSI { 76} (( segid " " and resid 11 and name HE )) (( segid " " and resid 8 and name HA )) 4.000 2.000 2.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.42153E-03 ppm1 7.331 ppm2 4.623 CV 1 ASSI { 81} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB1 )) 3.600 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.56502E-03 ppm1 7.990 ppm2 2.175 CV 1 ASSI { 82} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG1 )) 4.000 2.000 2.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.38791E-03 ppm1 7.988 ppm2 1.941 CV 1 ASSI { 83} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB2 )) 4.000 2.000 2.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.39899E-03 ppm1 7.998 ppm2 1.857 CV 1 ASSI { 84} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG2 )) 3.500 1.600 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.58053E-03 ppm1 7.997 ppm2 1.623 CV 1 ASSI { 86} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HD2 )) 3.200 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 7.994 ppm2 3.346 CV 1 ASSI { 90} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG1 )) 3.600 1.700 1.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.60528E-03 ppm1 7.570 ppm2 1.984 CV 1 ASSI { 91} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG2 )) 3.800 1.800 1.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.41171E-03 ppm1 7.567 ppm2 1.730 CV 1 ASSI { 94} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HG1 )) 3.600 1.600 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.45979E-03 ppm1 7.183 ppm2 1.358 CV 1 ASSI { 95} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HG2 )) 4.200 2.200 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.30856E-03 ppm1 7.181 ppm2 0.969 CV 1 ASSI { 96} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HD1 )) 3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.34171E-03 ppm1 7.188 ppm2 3.089 CV 1 ASSI { 97} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HD2 )) 4.100 2.100 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.25597E-03 ppm1 7.186 ppm2 3.002 CV 1 ASSI { 99} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB1 )) 4.100 2.100 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.49554E-03 ppm1 7.417 ppm2 2.067 CV 1 ASSI { 100} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB2 )) 4.600 2.600 1.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.32343E-03 ppm1 7.413 ppm2 1.869 CV 1 ASSI { 101} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG2 )) 3.500 1.600 1.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.69086E-03 ppm1 7.415 ppm2 1.744 CV 1 OR { 101} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG1 )) ASSI { 102} (( segid " " and resid 67 and name HE )) (( segid " " and resid 64 and name HA )) 5.600 4.000 0.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.95324E-04 ppm1 7.413 ppm2 3.860 CV 1 ASSI { 104} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD2 )) 3.200 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 7.516 ppm2 3.310 CV 1 ASSI { 105} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB1 )) 4.600 2.600 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.59170E-03 ppm1 7.516 ppm2 2.026 CV 1 OR { 105} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) ASSI { 106} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG1 )) 4.600 2.600 1.400 peak 106 spectrum 1 weight 0.10000E+01 volume 0.35781E-03 ppm1 7.516 ppm2 1.910 CV 1 ASSI { 107} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG2 )) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.47333E-03 ppm1 7.516 ppm2 1.689 CV 1 ASSI { 109} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HG2%) 3.200 3.200 2.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.55202E-03 ppm1 8.485 ppm2 1.245 CV 1 ASSI { 110} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.400 1.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 8.489 ppm2 2.826 CV 1 OR { 110} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 111} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.81944E-02 ppm1 8.488 ppm2 4.072 CV 1 OR { 111} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 112} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.33624E-02 ppm1 8.487 ppm2 4.716 CV 1 ASSI { 113} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) 4.600 2.600 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.40923E-03 ppm1 8.488 ppm2 4.341 CV 1 ASSI { 115} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.32721E-02 ppm1 8.405 ppm2 8.875 CV 1 ASSI { 116} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.40194E-02 ppm1 8.404 ppm2 7.594 CV 1 ASSI { 117} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.83313E-03 ppm1 8.405 ppm2 4.906 CV 1 ASSI { 119} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 8.404 ppm2 4.268 CV 1 ASSI { 120} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11336E-01 ppm1 8.405 ppm2 4.027 CV 1 OR { 120} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 121} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.400 1.400 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 8.406 ppm2 3.090 CV 1 ASSI { 122} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 8.405 ppm2 2.767 CV 1 ASSI { 125} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 4.100 2.100 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.46584E-03 ppm1 8.405 ppm2 0.877 CV 1 ASSI { 126} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.300 3.300 2.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.38845E-03 ppm1 8.402 ppm2 1.923 CV 1 ASSI { 127} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 4.200 2.200 1.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.42972E-03 ppm1 8.402 ppm2 3.740 CV 1 ASSI { 128} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HN )) 3.200 3.200 2.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.47501E-03 ppm1 8.403 ppm2 8.690 CV 1 ASSI { 129} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 4.000 2.000 2.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.63701E-03 ppm1 7.964 ppm2 0.954 CV 1 ASSI { 130} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.600 1.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.92827E-03 ppm1 7.969 ppm2 2.804 CV 1 ASSI { 133} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.800 1.800 1.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 7.967 ppm2 4.372 CV 1 ASSI { 134} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.46778E-02 ppm1 7.966 ppm2 8.105 CV 1 ASSI { 135} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.29128E-02 ppm1 7.968 ppm2 7.488 CV 1 ASSI { 136} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.800 2.900 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.32675E-03 ppm1 7.968 ppm2 3.453 CV 1 ASSI { 140} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.61731E-02 ppm1 8.562 ppm2 4.284 CV 1 ASSI { 141} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 4.300 2.300 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 8.562 ppm2 4.032 CV 1 ASSI { 142} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.39256E-02 ppm1 8.562 ppm2 3.871 CV 1 ASSI { 144} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 3.000 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15986E-02 ppm1 8.053 ppm2 7.519 CV 1 ASSI { 145} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17661E-02 ppm1 8.056 ppm2 5.044 CV 1 ASSI { 147} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.300 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 8.056 ppm2 3.031 CV 1 ASSI { 149} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) 5.000 3.100 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.74627E-03 ppm1 8.055 ppm2 1.778 CV 1 OR { 149} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 150} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.900 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.14536E-02 ppm1 8.054 ppm2 1.630 CV 1 ASSI { 151} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD1%) 4.800 2.900 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.31448E-03 ppm1 8.056 ppm2 0.951 CV 1 ASSI { 153} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD2%) 5.300 3.600 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.21364E-03 ppm1 8.051 ppm2 0.784 CV 1 ASSI { 154} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD1%) 4.700 2.700 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.32500E-03 ppm1 8.053 ppm2 0.464 CV 1 ASSI { 155} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG )) 4.400 2.400 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.28702E-03 ppm1 8.049 ppm2 1.201 CV 1 ASSI { 156} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) 5.100 3.200 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.15184E-03 ppm1 8.057 ppm2 4.750 CV 1 ASSI { 159} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.300 2.300 1.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.89294E-03 ppm1 8.047 ppm2 2.740 CV 1 ASSI { 160} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.20706E-02 ppm1 8.047 ppm2 2.469 CV 1 ASSI { 161} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30440E-02 ppm1 8.047 ppm2 2.354 CV 1 OR { 161} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 166} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.47424E-02 ppm1 8.047 ppm2 8.131 CV 1 ASSI { 167} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.32277E-02 ppm1 8.048 ppm2 8.903 CV 1 ASSI { 169} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 3.700 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.14808E-02 ppm1 7.490 ppm2 2.126 CV 1 ASSI { 170} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.64829E-03 ppm1 7.491 ppm2 2.799 CV 1 ASSI { 171} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.100 2.200 1.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.30638E-03 ppm1 7.491 ppm2 2.475 CV 1 ASSI { 172} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.600 2.700 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47248E-03 ppm1 7.488 ppm2 3.453 CV 1 ASSI { 174} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.25458E-02 ppm1 7.491 ppm2 4.661 CV 1 ASSI { 177} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HB% ) 4.600 2.600 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.44627E-03 ppm1 8.931 ppm2 1.537 CV 1 ASSI { 181} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.100 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.43467E-02 ppm1 8.930 ppm2 4.344 CV 1 ASSI { 184} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.38401E-02 ppm1 8.930 ppm2 4.741 CV 1 ASSI { 185} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.900 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.20649E-02 ppm1 8.931 ppm2 7.815 CV 1 ASSI { 186} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 4.000 2.000 2.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.55959E-03 ppm1 8.930 ppm2 8.000 CV 1 ASSI { 187} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.300 2.300 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.45636E-03 ppm1 8.931 ppm2 8.176 CV 1 ASSI { 189} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.300 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.38126E-03 ppm1 8.242 ppm2 4.058 CV 1 OR { 189} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 193} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12598E-02 ppm1 8.243 ppm2 2.229 CV 1 ASSI { 194} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.400 2.400 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.74954E-03 ppm1 8.244 ppm2 2.063 CV 1 ASSI { 195} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) 3.400 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.25288E-02 ppm1 8.244 ppm2 1.241 CV 1 ASSI { 196} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) 5.700 4.100 0.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12572E-03 ppm1 8.246 ppm2 2.837 CV 1 OR { 196} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 201} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HA )) 4.300 2.300 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.41008E-03 ppm1 8.110 ppm2 4.312 CV 1 ASSI { 203} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.12391E-02 ppm1 8.108 ppm2 1.881 CV 1 ASSI { 204} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 8.109 ppm2 1.593 CV 1 ASSI { 205} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG1 )) 5.000 3.200 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.39053E-03 ppm1 8.111 ppm2 1.374 CV 1 ASSI { 211} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.29924E-02 ppm1 7.809 ppm2 4.562 CV 1 ASSI { 213} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.16581E-02 ppm1 7.809 ppm2 4.204 CV 1 ASSI { 214} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.700 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.30457E-02 ppm1 7.808 ppm2 4.135 CV 1 ASSI { 215} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.18654E-02 ppm1 7.809 ppm2 4.047 CV 1 ASSI { 216} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.900 1.900 1.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.61548E-03 ppm1 7.809 ppm2 3.940 CV 1 ASSI { 217} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.000 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 7.809 ppm2 2.253 CV 1 ASSI { 218} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.700 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.13874E-02 ppm1 7.810 ppm2 2.138 CV 1 ASSI { 224} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 7.720 ppm2 1.054 CV 1 ASSI { 225} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.800 2.900 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.87179E-03 ppm1 7.720 ppm2 0.882 CV 1 ASSI { 227} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.100 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.32766E-02 ppm1 7.718 ppm2 1.531 CV 1 ASSI { 228} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.800 1.800 1.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10502E-02 ppm1 7.719 ppm2 2.436 CV 1 ASSI { 229} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 2.900 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 7.717 ppm2 1.829 CV 1 ASSI { 230} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.600 1.700 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.69172E-03 ppm1 7.718 ppm2 4.806 CV 1 ASSI { 231} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 7.719 ppm2 4.625 CV 1 ASSI { 235} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.97605E-03 ppm1 7.720 ppm2 3.086 CV 1 ASSI { 237} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.300 0.600 0.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.52313E-02 ppm1 7.718 ppm2 7.555 CV 1 ASSI { 238} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 4.500 2.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.32502E-03 ppm1 7.718 ppm2 9.571 CV 1 ASSI { 241} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD2%) 3.900 1.900 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.14466E-02 ppm1 9.053 ppm2 0.630 CV 1 OR { 241} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 242} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.20702E-02 ppm1 9.053 ppm2 1.572 CV 1 OR { 242} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 246} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.500 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.62246E-03 ppm1 9.051 ppm2 4.772 CV 1 ASSI { 250} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 2.900 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.20728E-02 ppm1 8.836 ppm2 8.239 CV 1 ASSI { 251} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HN )) 4.600 2.600 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.33081E-03 ppm1 8.835 ppm2 7.896 CV 1 ASSI { 252} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.300 0.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.55143E-02 ppm1 8.836 ppm2 4.849 CV 1 ASSI { 253} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.44723E-02 ppm1 8.836 ppm2 4.771 CV 1 ASSI { 254} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.600 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.33454E-02 ppm1 8.836 ppm2 4.312 CV 1 ASSI { 255} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.30816E-02 ppm1 8.835 ppm2 3.864 CV 1 ASSI { 257} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 3.300 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42783E-02 ppm1 8.836 ppm2 1.394 CV 1 ASSI { 258} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.62445E-03 ppm1 8.837 ppm2 0.881 CV 1 ASSI { 260} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HB1 )) 5.200 3.300 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.18381E-03 ppm1 8.833 ppm2 2.335 CV 1 ASSI { 261} (( segid " " and resid 7 and name HN )) ( segid " " and resid 10 and name HD2%) 5.300 3.500 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.17702E-03 ppm1 8.836 ppm2 1.129 CV 1 ASSI { 262} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD1%) 5.000 3.200 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.16961E-03 ppm1 8.835 ppm2 0.462 CV 1 ASSI { 263} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.29599E-02 ppm1 8.246 ppm2 3.977 CV 1 ASSI { 265} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.31472E-02 ppm1 8.247 ppm2 4.363 CV 1 ASSI { 267} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 4.300 2.300 1.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 8.247 ppm2 4.711 CV 1 ASSI { 268} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HB2 )) 5.600 3.900 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.18185E-03 ppm1 8.245 ppm2 3.024 CV 1 ASSI { 269} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.900 3.000 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.23230E-03 ppm1 8.241 ppm2 2.747 CV 1 ASSI { 270} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG )) 4.100 2.100 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.36865E-03 ppm1 8.246 ppm2 1.578 CV 1 ASSI { 271} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.800 1.800 1.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.56512E-03 ppm1 8.248 ppm2 1.447 CV 1 ASSI { 272} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 4.400 2.500 1.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.29578E-03 ppm1 8.246 ppm2 0.792 CV 1 ASSI { 273} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD1%) 4.200 2.200 1.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.54365E-03 ppm1 8.246 ppm2 0.691 CV 1 ASSI { 274} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.100 2.100 1.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.57167E-03 ppm1 8.250 ppm2 1.247 CV 1 ASSI { 275} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.20444E-02 ppm1 8.247 ppm2 8.563 CV 1 ASSI { 276} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 8.248 ppm2 8.470 CV 1 ASSI { 277} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 8.130 ppm2 8.484 CV 1 ASSI { 278} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 3.500 1.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 8.130 ppm2 8.609 CV 1 ASSI { 279} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25565E-02 ppm1 8.131 ppm2 4.325 CV 1 ASSI { 282} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.800 1.800 1.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.43012E-03 ppm1 8.129 ppm2 2.831 CV 1 OR { 282} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 285} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.200 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.11046E-01 ppm1 7.988 ppm2 2.032 CV 1 OR { 285} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 286} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.300 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.31824E-02 ppm1 7.988 ppm2 1.921 CV 1 ASSI { 287} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) 3.900 1.900 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.17548E-02 ppm1 7.988 ppm2 1.681 CV 1 ASSI { 291} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.94067E-03 ppm1 7.989 ppm2 3.528 CV 1 ASSI { 292} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.600 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.38410E-02 ppm1 7.988 ppm2 4.031 CV 1 ASSI { 293} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 7.989 ppm2 4.616 CV 1 ASSI { 294} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 7.988 ppm2 4.548 CV 1 ASSI { 295} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 4.200 2.200 1.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36271E-03 ppm1 7.989 ppm2 4.206 CV 1 ASSI { 296} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.43591E-02 ppm1 7.988 ppm2 7.710 CV 1 ASSI { 297} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.29009E-02 ppm1 7.988 ppm2 8.836 CV 1 ASSI { 298} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.24609E-02 ppm1 7.457 ppm2 2.377 CV 1 ASSI { 299} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.79008E-03 ppm1 7.459 ppm2 2.064 CV 1 ASSI { 300} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.77327E-03 ppm1 7.459 ppm2 1.863 CV 1 ASSI { 304} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.48628E-03 ppm1 7.459 ppm2 4.027 CV 1 ASSI { 305} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.27913E-02 ppm1 7.458 ppm2 4.614 CV 1 ASSI { 306} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.23386E-02 ppm1 7.458 ppm2 4.440 CV 1 ASSI { 307} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.200 0.600 0.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.58504E-02 ppm1 7.458 ppm2 7.605 CV 1 ASSI { 310} (( segid " " and resid 68 and name HN )) ( segid " " and resid 45 and name HD2%) 5.200 3.300 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 7.456 ppm2 0.365 CV 1 ASSI { 311} (( segid " " and resid 68 and name HN )) ( segid " " and resid 45 and name HD1%) 4.800 2.900 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 7.458 ppm2 0.229 CV 1 ASSI { 312} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.100 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.41326E-02 ppm1 9.569 ppm2 2.247 CV 1 ASSI { 313} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.400 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.41759E-02 ppm1 9.569 ppm2 2.141 CV 1 ASSI { 314} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.200 2.200 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.53020E-03 ppm1 9.568 ppm2 1.941 CV 1 ASSI { 316} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.34626E-03 ppm1 9.567 ppm2 1.628 CV 1 ASSI { 317} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 2.800 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.35690E-02 ppm1 9.568 ppm2 2.484 CV 1 OR { 317} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 318} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 4.600 2.600 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.43959E-03 ppm1 9.570 ppm2 4.722 CV 1 ASSI { 320} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.900 1.900 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 9.569 ppm2 3.566 CV 1 ASSI { 321} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25203E-02 ppm1 9.569 ppm2 3.096 CV 1 ASSI { 324} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD% ) 4.200 2.200 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.55396E-03 ppm1 9.568 ppm2 7.136 CV 1 ASSI { 325} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.900 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 9.569 ppm2 8.423 CV 1 ASSI { 327} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 9.568 ppm2 7.555 CV 1 ASSI { 328} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.27545E-02 ppm1 8.575 ppm2 8.761 CV 1 ASSI { 329} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.41217E-02 ppm1 8.576 ppm2 7.439 CV 1 ASSI { 331} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.26144E-02 ppm1 8.576 ppm2 4.450 CV 1 ASSI { 335} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.600 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.84709E-03 ppm1 8.576 ppm2 2.531 CV 1 ASSI { 336} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB )) 5.200 3.400 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.36391E-03 ppm1 8.577 ppm2 2.207 CV 1 ASSI { 337} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.300 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 8.576 ppm2 2.076 CV 1 ASSI { 338} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.500 2.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.72323E-03 ppm1 8.576 ppm2 1.018 CV 1 ASSI { 339} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 5.500 3.700 0.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22362E-03 ppm1 8.577 ppm2 3.869 CV 1 ASSI { 340} (( segid " " and resid 36 and name HN )) ( segid " " and resid 45 and name HD2%) 5.600 3.900 0.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.37030E-03 ppm1 9.570 ppm2 0.364 CV 1 ASSI { 341} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG1%) 3.800 1.800 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.24555E-02 ppm1 8.470 ppm2 0.944 CV 1 ASSI { 342} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 2.600 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.44705E-02 ppm1 8.469 ppm2 2.126 CV 1 ASSI { 343} (( segid " " and resid 59 and name HN )) ( segid " " and resid 81 and name HB% ) 3.900 1.900 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.70455E-03 ppm1 8.471 ppm2 1.627 CV 1 ASSI { 344} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31465E-02 ppm1 8.470 ppm2 3.765 CV 1 ASSI { 345} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18123E-02 ppm1 8.470 ppm2 4.823 CV 1 ASSI { 347} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 4.700 2.700 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.42103E-03 ppm1 8.469 ppm2 7.491 CV 1 ASSI { 350} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 4.600 2.700 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.52611E-03 ppm1 8.466 ppm2 7.215 CV 1 ASSI { 351} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.15229E-02 ppm1 8.463 ppm2 4.720 CV 1 ASSI { 352} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.83754E-02 ppm1 8.463 ppm2 4.319 CV 1 ASSI { 354} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD1 )) 4.700 2.800 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.51766E-03 ppm1 8.461 ppm2 3.443 CV 1 ASSI { 355} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 4.900 3.000 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.55476E-03 ppm1 8.461 ppm2 3.346 CV 1 ASSI { 356} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.99849E-03 ppm1 8.463 ppm2 3.081 CV 1 ASSI { 358} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.500 1.600 1.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.22952E-02 ppm1 8.463 ppm2 1.412 CV 1 ASSI { 360} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.900 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19631E-02 ppm1 8.463 ppm2 2.181 CV 1 ASSI { 361} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.30284E-02 ppm1 8.463 ppm2 1.938 CV 1 ASSI { 362} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.34500E-02 ppm1 8.463 ppm2 1.846 CV 1 ASSI { 363} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.700 1.700 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.16924E-02 ppm1 8.463 ppm2 1.618 CV 1 ASSI { 365} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.82621E-03 ppm1 7.828 ppm2 1.856 CV 1 ASSI { 366} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.12695E-02 ppm1 7.826 ppm2 1.606 CV 1 ASSI { 370} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.500 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.40469E-02 ppm1 7.828 ppm2 2.462 CV 1 ASSI { 371} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.23309E-02 ppm1 7.827 ppm2 2.278 CV 1 ASSI { 374} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB )) 4.200 2.200 1.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.29091E-03 ppm1 7.828 ppm2 4.621 CV 1 ASSI { 375} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.20788E-02 ppm1 7.828 ppm2 8.997 CV 1 ASSI { 376} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.88221E-03 ppm1 7.827 ppm2 7.483 CV 1 ASSI { 377} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.35037E-02 ppm1 7.827 ppm2 7.740 CV 1 ASSI { 378} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 7.768 ppm2 7.950 CV 1 ASSI { 379} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.41931E-02 ppm1 7.769 ppm2 7.856 CV 1 ASSI { 383} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.600 1.600 1.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.12580E-02 ppm1 7.768 ppm2 2.528 CV 1 ASSI { 384} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) 4.000 2.000 2.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.78723E-03 ppm1 7.768 ppm2 2.444 CV 1 ASSI { 385} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.300 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.15548E-02 ppm1 7.768 ppm2 2.271 CV 1 ASSI { 386} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.36181E-02 ppm1 7.768 ppm2 2.117 CV 1 ASSI { 389} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.600 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.27542E-02 ppm1 7.609 ppm2 8.072 CV 1 ASSI { 393} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.600 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.32136E-02 ppm1 7.610 ppm2 1.863 CV 1 ASSI { 394} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.200 1.300 1.300 peak 394 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 7.610 ppm2 1.746 CV 1 OR { 394} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 397} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.300 1.400 1.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.18638E-02 ppm1 7.609 ppm2 3.912 CV 1 ASSI { 398} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.28004E-02 ppm1 7.611 ppm2 4.616 CV 1 ASSI { 399} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) 4.700 2.800 1.300 peak 399 spectrum 1 weight 0.10000E+01 volume 0.41607E-03 ppm1 7.610 ppm2 3.267 CV 1 OR { 399} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) ASSI { 400} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 5.100 3.200 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.33414E-03 ppm1 7.611 ppm2 1.402 CV 1 ASSI { 401} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HB )) 5.900 4.300 0.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.26200E-03 ppm1 7.613 ppm2 2.376 CV 1 ASSI { 403} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HN )) 4.000 2.000 2.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.43800E-03 ppm1 8.997 ppm2 7.728 CV 1 ASSI { 404} (( segid " " and resid 72 and name HN )) (( segid " " and resid 32 and name HA )) 4.200 2.200 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.34747E-03 ppm1 8.998 ppm2 5.040 CV 1 ASSI { 405} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 4.700 2.700 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.30631E-03 ppm1 9.000 ppm2 4.936 CV 1 ASSI { 406} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HA )) 3.400 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.14944E-02 ppm1 8.996 ppm2 3.310 CV 1 ASSI { 407} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) 5.100 3.200 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.36014E-03 ppm1 8.998 ppm2 3.020 CV 1 ASSI { 409} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB )) 2.900 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.15764E-02 ppm1 8.999 ppm2 4.613 CV 1 ASSI { 411} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.900 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11400E-02 ppm1 8.999 ppm2 4.035 CV 1 ASSI { 414} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.15843E-02 ppm1 8.998 ppm2 2.022 CV 1 ASSI { 415} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.600 0.800 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.32560E-02 ppm1 8.998 ppm2 1.859 CV 1 ASSI { 416} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.35246E-02 ppm1 8.998 ppm2 1.617 CV 1 ASSI { 419} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.600 2.700 1.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.60512E-03 ppm1 8.995 ppm2 0.786 CV 1 ASSI { 422} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD1%) 3.300 1.300 1.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.11595E-02 ppm1 8.876 ppm2 0.789 CV 1 ASSI { 423} (( segid " " and resid 79 and name HN )) ( segid " " and resid 5 and name HD1%) 4.300 2.300 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.37456E-03 ppm1 8.875 ppm2 0.612 CV 1 ASSI { 424} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.45330E-02 ppm1 8.876 ppm2 1.935 CV 1 ASSI { 425} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HG )) 3.500 1.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.71357E-03 ppm1 8.876 ppm2 1.725 CV 1 ASSI { 427} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG12)) 5.200 3.300 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.35123E-03 ppm1 8.875 ppm2 1.279 CV 1 ASSI { 428} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.30030E-02 ppm1 8.875 ppm2 4.904 CV 1 ASSI { 429} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.15068E-02 ppm1 8.875 ppm2 4.488 CV 1 ASSI { 430} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 4.300 2.300 1.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.35432E-03 ppm1 8.878 ppm2 4.277 CV 1 ASSI { 432} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 3.700 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 8.876 ppm2 3.896 CV 1 ASSI { 433} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 8.876 ppm2 3.742 CV 1 ASSI { 434} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.100 1.200 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.50809E-02 ppm1 8.876 ppm2 3.090 CV 1 ASSI { 435} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.29475E-02 ppm1 8.875 ppm2 2.772 CV 1 ASSI { 437} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) 4.000 2.000 2.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.53511E-03 ppm1 8.875 ppm2 7.588 CV 1 ASSI { 439} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 3.800 1.800 1.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.62386E-03 ppm1 8.875 ppm2 7.999 CV 1 ASSI { 441} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.41367E-02 ppm1 8.875 ppm2 8.290 CV 1 ASSI { 444} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) 3.500 1.500 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.15169E-02 ppm1 8.669 ppm2 1.656 CV 1 ASSI { 445} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.500 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21592E-02 ppm1 8.676 ppm2 1.550 CV 1 ASSI { 446} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.600 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.44182E-02 ppm1 8.676 ppm2 2.769 CV 1 ASSI { 448} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.38613E-02 ppm1 8.676 ppm2 2.178 CV 1 ASSI { 449} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.27518E-02 ppm1 8.667 ppm2 4.276 CV 1 ASSI { 450} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.89429E-03 ppm1 8.678 ppm2 3.887 CV 1 ASSI { 451} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.900 1.900 1.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.58509E-03 ppm1 8.676 ppm2 3.606 CV 1 ASSI { 453} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.33411E-02 ppm1 8.677 ppm2 4.484 CV 1 ASSI { 454} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.11467E-02 ppm1 8.664 ppm2 4.183 CV 1 ASSI { 455} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.600 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.63256E-03 ppm1 8.668 ppm2 4.385 CV 1 ASSI { 456} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34533E-02 ppm1 8.677 ppm2 7.995 CV 1 ASSI { 457} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.28524E-02 ppm1 8.677 ppm2 8.734 CV 1 ASSI { 458} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.33576E-02 ppm1 8.328 ppm2 8.487 CV 1 ASSI { 459} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.800 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.29409E-02 ppm1 8.328 ppm2 8.723 CV 1 ASSI { 460} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.700 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.29350E-02 ppm1 8.327 ppm2 4.411 CV 1 ASSI { 461} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.77896E-03 ppm1 8.327 ppm2 4.321 CV 1 ASSI { 462} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 8.328 ppm2 4.232 CV 1 ASSI { 463} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.28248E-02 ppm1 8.330 ppm2 3.945 CV 1 ASSI { 464} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 8.328 ppm2 1.534 CV 1 ASSI { 466} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.400 2.400 1.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.45029E-03 ppm1 8.331 ppm2 2.588 CV 1 ASSI { 467} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.700 2.800 1.300 peak 467 spectrum 1 weight 0.10000E+01 volume 0.49848E-03 ppm1 8.329 ppm2 2.452 CV 1 ASSI { 468} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17908E-02 ppm1 8.327 ppm2 2.336 CV 1 ASSI { 469} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.16099E-02 ppm1 8.329 ppm2 2.201 CV 1 ASSI { 471} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) 3.700 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.95452E-03 ppm1 7.551 ppm2 8.453 CV 1 ASSI { 473} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.17006E-02 ppm1 7.554 ppm2 4.360 CV 1 ASSI { 474} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.19888E-02 ppm1 7.555 ppm2 4.810 CV 1 ASSI { 476} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.700 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.38072E-02 ppm1 7.554 ppm2 3.081 CV 1 ASSI { 478} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.700 1.700 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 7.550 ppm2 2.250 CV 1 ASSI { 479} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 7.554 ppm2 2.154 CV 1 ASSI { 480} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.600 2.700 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.40086E-03 ppm1 7.553 ppm2 1.936 CV 1 ASSI { 482} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15256E-02 ppm1 7.554 ppm2 2.484 CV 1 OR { 482} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 483} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG12)) 4.000 2.000 2.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 7.556 ppm2 1.534 CV 1 ASSI { 486} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD1%) 3.900 1.900 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.15805E-02 ppm1 7.519 ppm2 0.459 CV 1 ASSI { 487} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG )) 3.400 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.40230E-02 ppm1 7.520 ppm2 1.198 CV 1 ASSI { 488} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 7.517 ppm2 1.032 CV 1 ASSI { 489} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.400 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.52591E-02 ppm1 7.518 ppm2 1.628 CV 1 ASSI { 491} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.700 1.700 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.65800E-03 ppm1 7.517 ppm2 3.021 CV 1 ASSI { 492} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.800 2.800 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.98287E-03 ppm1 7.516 ppm2 4.841 CV 1 ASSI { 493} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.76286E-03 ppm1 7.520 ppm2 4.738 CV 1 ASSI { 494} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD% ) 2.900 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 7.517 ppm2 7.319 CV 1 ASSI { 498} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.300 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.52752E-02 ppm1 7.440 ppm2 8.224 CV 1 ASSI { 501} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 3.700 1.700 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.73660E-03 ppm1 7.440 ppm2 4.445 CV 1 ASSI { 502} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.35182E-02 ppm1 7.440 ppm2 3.871 CV 1 ASSI { 504} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.88210E-03 ppm1 7.439 ppm2 2.829 CV 1 ASSI { 505} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.400 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.93423E-03 ppm1 7.441 ppm2 2.736 CV 1 ASSI { 507} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.68211E-02 ppm1 7.440 ppm2 2.216 CV 1 ASSI { 508} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.600 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 7.440 ppm2 2.075 CV 1 ASSI { 509} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.62815E-02 ppm1 7.440 ppm2 1.019 CV 1 ASSI { 510} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HB% ) 4.500 2.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.73263E-03 ppm1 7.440 ppm2 1.408 CV 1 ASSI { 511} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HD2 )) 5.200 3.400 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.21346E-03 ppm1 7.438 ppm2 3.566 CV 1 ASSI { 512} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HD1 )) 3.700 1.700 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.21764E-03 ppm1 7.555 ppm2 3.447 CV 1 ASSI { 515} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.34152E-02 ppm1 8.903 ppm2 8.439 CV 1 ASSI { 516} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19531E-02 ppm1 8.904 ppm2 4.282 CV 1 ASSI { 519} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.500 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.29020E-02 ppm1 8.903 ppm2 2.468 CV 1 ASSI { 520} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.43087E-02 ppm1 8.904 ppm2 2.345 CV 1 ASSI { 522} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.36447E-02 ppm1 8.903 ppm2 2.742 CV 1 ASSI { 523} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.200 2.200 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.66912E-03 ppm1 8.903 ppm2 2.041 CV 1 ASSI { 524} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 4.800 2.900 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.43279E-03 ppm1 8.904 ppm2 1.645 CV 1 ASSI { 526} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.800 0.900 0.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13048E-02 ppm1 8.903 ppm2 1.440 CV 1 ASSI { 528} (( segid " " and resid 53 and name HN )) ( segid " " and resid 58 and name HG1%) 5.200 3.400 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.39980E-03 ppm1 8.902 ppm2 0.938 CV 1 ASSI { 530} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.45055E-02 ppm1 8.393 ppm2 7.707 CV 1 ASSI { 531} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18909E-02 ppm1 8.393 ppm2 8.464 CV 1 ASSI { 534} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.44306E-03 ppm1 8.392 ppm2 4.029 CV 1 ASSI { 539} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 8.395 ppm2 0.763 CV 1 ASSI { 541} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HB% ) 2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40530E-02 ppm1 8.395 ppm2 1.667 CV 1 ASSI { 542} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.000 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.48738E-02 ppm1 8.394 ppm2 1.986 CV 1 ASSI { 546} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 8.835 ppm2 1.564 CV 1 ASSI { 547} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) 3.400 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.14166E-02 ppm1 8.837 ppm2 1.392 CV 1 ASSI { 552} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.87512E-02 ppm1 8.836 ppm2 2.047 CV 1 OR { 552} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 553} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.400 1.400 1.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 8.835 ppm2 1.897 CV 1 ASSI { 555} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 8.836 ppm2 2.324 CV 1 ASSI { 556} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 8.835 ppm2 3.865 CV 1 ASSI { 557} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.600 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.31505E-02 ppm1 8.835 ppm2 3.528 CV 1 ASSI { 558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD2 )) 5.000 3.100 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.54451E-03 ppm1 8.836 ppm2 3.213 CV 1 OR { 558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD1 )) ASSI { 560} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18493E-02 ppm1 8.835 ppm2 4.621 CV 1 ASSI { 562} (( segid " " and resid 11 and name HN )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 8.835 ppm2 7.218 CV 1 ASSI { 563} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.42857E-02 ppm1 8.836 ppm2 8.062 CV 1 ASSI { 568} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.44468E-02 ppm1 7.709 ppm2 2.025 CV 1 OR { 568} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 569} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.94556E-03 ppm1 7.710 ppm2 1.915 CV 1 ASSI { 570} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.000 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 7.709 ppm2 4.208 CV 1 ASSI { 572} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.35726E-02 ppm1 7.710 ppm2 4.390 CV 1 ASSI { 575} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HA )) 5.000 3.100 1.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.31533E-03 ppm1 7.708 ppm2 4.549 CV 1 ASSI { 576} (( segid " " and resid 78 and name HN )) ( segid " " and resid 74 and name HD1%) 3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.10368E-02 ppm1 8.278 ppm2 1.057 CV 1 OR { 576} (( segid " " and resid 78 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 583} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG12)) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 8.286 ppm2 1.275 CV 1 ASSI { 587} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.600 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.47423E-02 ppm1 8.143 ppm2 2.197 CV 1 ASSI { 588} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.40018E-02 ppm1 8.143 ppm2 2.013 CV 1 OR { 588} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG1 )) ASSI { 590} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HB% ) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.47114E-02 ppm1 8.142 ppm2 1.650 CV 1 ASSI { 593} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.200 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.53596E-02 ppm1 8.271 ppm2 2.011 CV 1 ASSI { 598} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.85885E-02 ppm1 8.240 ppm2 2.711 CV 1 OR { 598} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 602} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.91071E-03 ppm1 8.284 ppm2 3.892 CV 1 ASSI { 607} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.39643E-02 ppm1 8.143 ppm2 4.244 CV 1 ASSI { 609} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.16839E-02 ppm1 8.265 ppm2 4.905 CV 1 ASSI { 610} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB )) 3.200 1.200 1.200 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 8.241 ppm2 4.856 CV 1 ASSI { 611} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 8.240 ppm2 4.619 CV 1 ASSI { 614} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.42351E-02 ppm1 8.286 ppm2 7.995 CV 1 ASSI { 616} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.33454E-02 ppm1 8.211 ppm2 8.721 CV 1 ASSI { 617} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.32408E-02 ppm1 8.143 ppm2 8.438 CV 1 ASSI { 620} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB1 )) 4.800 2.900 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.38613E-03 ppm1 8.279 ppm2 3.090 CV 1 ASSI { 621} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HD2 )) 4.900 3.000 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.36694E-03 ppm1 8.144 ppm2 3.296 CV 1 ASSI { 627} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.28680E-02 ppm1 8.496 ppm2 4.467 CV 1 ASSI { 628} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.600 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.38474E-02 ppm1 8.488 ppm2 4.232 CV 1 ASSI { 629} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.700 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.56953E-02 ppm1 8.497 ppm2 4.064 CV 1 OR { 629} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) ASSI { 632} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.900 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.38132E-02 ppm1 8.496 ppm2 2.064 CV 1 ASSI { 637} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 3.200 1.300 1.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.16156E-02 ppm1 8.483 ppm2 4.307 CV 1 ASSI { 640} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) 3.800 1.800 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 8.459 ppm2 1.031 CV 1 ASSI { 641} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HD2%) 3.900 1.900 1.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.73795E-03 ppm1 8.460 ppm2 0.790 CV 1 ASSI { 643} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.400 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.52394E-02 ppm1 8.463 ppm2 2.270 CV 1 ASSI { 644} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.900 1.000 1.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.19002E-02 ppm1 8.460 ppm2 1.990 CV 1 ASSI { 658} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.36136E-02 ppm1 7.886 ppm2 8.059 CV 1 ASSI { 659} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.25068E-02 ppm1 7.886 ppm2 8.234 CV 1 ASSI { 660} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.95334E-03 ppm1 7.887 ppm2 9.054 CV 1 ASSI { 661} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.77005E-03 ppm1 7.885 ppm2 4.613 CV 1 ASSI { 667} (( segid " " and resid 9 and name HN )) ( segid " " and resid 5 and name HD1%) 5.300 3.500 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.33630E-03 ppm1 7.885 ppm2 0.621 CV 1 ASSI { 669} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB )) 4.400 2.400 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.42619E-03 ppm1 7.886 ppm2 4.849 CV 1 ASSI { 672} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.50852E-02 ppm1 7.731 ppm2 2.431 CV 1 ASSI { 675} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.600 2.700 1.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.44735E-03 ppm1 7.731 ppm2 2.177 CV 1 ASSI { 677} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.31765E-02 ppm1 7.732 ppm2 8.732 CV 1 ASSI { 683} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) 4.400 2.400 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.76984E-03 ppm1 6.894 ppm2 1.521 CV 1 ASSI { 687} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.400 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.33372E-02 ppm1 9.143 ppm2 2.995 CV 1 ASSI { 690} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.99656E-03 ppm1 9.143 ppm2 2.469 CV 1 ASSI { 698} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.67373E-03 ppm1 8.735 ppm2 4.287 CV 1 ASSI { 701} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.26591E-02 ppm1 8.735 ppm2 2.428 CV 1 ASSI { 706} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD1%) 3.600 1.600 1.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12419E-02 ppm1 8.736 ppm2 1.047 CV 1 ASSI { 710} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 5.000 3.100 1.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.48137E-03 ppm1 8.456 ppm2 0.356 CV 1 ASSI { 711} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 5.100 3.300 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.47889E-03 ppm1 8.455 ppm2 0.232 CV 1 ASSI { 712} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) 2.600 0.800 0.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.51150E-02 ppm1 8.454 ppm2 1.540 CV 1 ASSI { 716} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.500 0.800 0.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.42252E-02 ppm1 7.954 ppm2 8.262 CV 1 ASSI { 721} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.18944E-02 ppm1 8.037 ppm2 4.587 CV 1 ASSI { 724} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 8.032 ppm2 4.360 CV 1 ASSI { 725} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HA )) 3.100 3.100 2.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.56861E-03 ppm1 7.955 ppm2 4.906 CV 1 ASSI { 726} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) 3.800 1.800 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.54622E-03 ppm1 7.956 ppm2 4.459 CV 1 ASSI { 729} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.600 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.79453E-03 ppm1 7.953 ppm2 4.032 CV 1 OR { 729} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA1 )) ASSI { 730} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 8.050 ppm2 3.868 CV 1 ASSI { 731} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.900 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.28492E-02 ppm1 8.060 ppm2 3.027 CV 1 ASSI { 732} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 8.033 ppm2 2.805 CV 1 ASSI { 734} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.19565E-02 ppm1 8.061 ppm2 2.690 CV 1 ASSI { 736} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG )) 4.300 2.300 1.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.79158E-03 ppm1 8.061 ppm2 1.894 CV 1 ASSI { 738} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.400 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.22592E-02 ppm1 7.954 ppm2 2.001 CV 1 ASSI { 741} (( segid " " and resid 10 and name HN )) ( segid " " and resid 13 and name HB% ) 4.400 2.400 1.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.59299E-03 ppm1 8.062 ppm2 1.665 CV 1 ASSI { 747} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD2%) 4.000 2.000 2.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.10141E-02 ppm1 8.061 ppm2 0.628 CV 1 OR { 747} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 751} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 4.300 2.300 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.81450E-03 ppm1 8.487 ppm2 1.238 CV 1 ASSI { 752} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.42337E-02 ppm1 8.485 ppm2 2.827 CV 1 OR { 752} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 755} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 3.900 1.900 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.10863E-02 ppm1 8.489 ppm2 4.367 CV 1 ASSI { 756} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.100 1.200 1.200 peak 756 spectrum 1 weight 0.10000E+01 volume 0.19916E-02 ppm1 8.483 ppm2 4.721 CV 1 ASSI { 757} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 3.100 1.200 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.18525E-02 ppm1 8.484 ppm2 8.237 CV 1 ASSI { 758} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.200 0.600 0.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.47390E-02 ppm1 8.039 ppm2 7.518 CV 1 ASSI { 759} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.49750E-02 ppm1 8.040 ppm2 7.309 CV 1 ASSI { 761} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.300 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.55530E-02 ppm1 8.039 ppm2 4.840 CV 1 ASSI { 762} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12626E-02 ppm1 8.039 ppm2 4.743 CV 1 ASSI { 763} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.100 1.200 1.200 peak 763 spectrum 1 weight 0.10000E+01 volume 0.13736E-02 ppm1 8.039 ppm2 3.297 CV 1 ASSI { 764} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.300 2.300 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.69564E-03 ppm1 8.042 ppm2 2.889 CV 1 ASSI { 766} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HG )) 5.100 3.200 0.900 peak 766 spectrum 1 weight 0.10000E+01 volume 0.59524E-03 ppm1 8.036 ppm2 1.206 CV 1 ASSI { 767} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HD1%) 6.000 4.900 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.19914E-03 ppm1 8.036 ppm2 0.460 CV 1 ASSI { 768} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.600 2.600 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.44028E-03 ppm1 8.042 ppm2 1.632 CV 1 ASSI { 769} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.26764E-02 ppm1 7.213 ppm2 1.409 CV 1 ASSI { 771} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.000 1.100 1.100 peak 771 spectrum 1 weight 0.10000E+01 volume 0.20214E-02 ppm1 7.212 ppm2 0.956 CV 1 ASSI { 772} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.100 2.100 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.71282E-03 ppm1 7.213 ppm2 2.353 CV 1 ASSI { 774} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.700 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.83721E-02 ppm1 7.212 ppm2 1.776 CV 1 OR { 774} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 777} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.34722E-03 ppm1 7.212 ppm2 2.831 CV 1 ASSI { 778} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.14982E-02 ppm1 7.214 ppm2 5.045 CV 1 ASSI { 779} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 3.500 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.72044E-03 ppm1 7.213 ppm2 4.735 CV 1 ASSI { 781} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.28292E-02 ppm1 7.214 ppm2 4.321 CV 1 ASSI { 783} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.300 0.700 0.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.51498E-02 ppm1 7.214 ppm2 8.056 CV 1 ASSI { 786} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HN )) 5.000 3.100 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.22679E-03 ppm1 8.763 ppm2 7.440 CV 1 ASSI { 789} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.000 1.100 1.100 peak 789 spectrum 1 weight 0.10000E+01 volume 0.30111E-02 ppm1 8.762 ppm2 2.746 CV 1 ASSI { 791} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 4.100 2.100 1.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.84301E-03 ppm1 8.762 ppm2 2.084 CV 1 ASSI { 794} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HD2 )) 5.900 4.400 0.100 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12350E-03 ppm1 8.763 ppm2 3.577 CV 1 ASSI { 795} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 8.661 ppm2 8.564 CV 1 ASSI { 796} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.76286E-03 ppm1 8.660 ppm2 8.038 CV 1 ASSI { 798} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.100 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 8.660 ppm2 4.842 CV 1 ASSI { 799} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.57135E-02 ppm1 8.661 ppm2 3.870 CV 1 ASSI { 800} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.300 1.400 1.400 peak 800 spectrum 1 weight 0.10000E+01 volume 0.36961E-02 ppm1 8.661 ppm2 2.885 CV 1 ASSI { 801} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.42782E-02 ppm1 8.661 ppm2 2.662 CV 1 ASSI { 803} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD% ) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.16706E-02 ppm1 8.421 ppm2 7.136 CV 1 ASSI { 807} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.16878E-02 ppm1 8.420 ppm2 3.563 CV 1 ASSI { 808} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.600 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.29100E-02 ppm1 8.421 ppm2 3.098 CV 1 ASSI { 809} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.400 1.400 1.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 8.420 ppm2 4.926 CV 1 ASSI { 810} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.300 0.700 0.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.45611E-02 ppm1 8.420 ppm2 4.721 CV 1 ASSI { 811} (( segid " " and resid 35 and name HN )) (( segid " " and resid 69 and name HA )) 4.100 2.100 1.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.46105E-03 ppm1 8.422 ppm2 5.267 CV 1 ASSI { 812} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 3.700 1.800 1.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.46479E-03 ppm1 8.422 ppm2 1.935 CV 1 ASSI { 814} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.54687E-03 ppm1 8.421 ppm2 1.626 CV 1 ASSI { 816} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HD1%) 5.200 3.400 0.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.25333E-03 ppm1 8.421 ppm2 0.884 CV 1 ASSI { 824} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 3.600 1.600 1.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.69129E-03 ppm1 8.224 ppm2 4.444 CV 1 ASSI { 825} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA1 )) 5.600 3.900 0.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.24914E-03 ppm1 8.227 ppm2 4.123 CV 1 ASSI { 828} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.33597E-02 ppm1 8.161 ppm2 1.842 CV 1 ASSI { 831} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD1%) 4.300 2.300 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.53618E-03 ppm1 8.160 ppm2 1.024 CV 1 ASSI { 832} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.60437E-02 ppm1 8.161 ppm2 7.819 CV 1 ASSI { 833} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 2.400 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.53908E-02 ppm1 8.161 ppm2 8.455 CV 1 ASSI { 837} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.57060E-02 ppm1 7.996 ppm2 2.026 CV 1 ASSI { 838} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.300 0.700 0.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.53119E-02 ppm1 7.997 ppm2 1.921 CV 1 ASSI { 839} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 3.800 1.800 1.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.24592E-02 ppm1 7.996 ppm2 1.822 CV 1 ASSI { 840} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.400 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 7.998 ppm2 4.484 CV 1 ASSI { 842} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 7.997 ppm2 2.777 CV 1 ASSI { 846} (( segid " " and resid 77 and name HN )) ( segid " " and resid 74 and name HD1%) 3.900 1.900 1.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.68952E-03 ppm1 7.997 ppm2 1.063 CV 1 OR { 846} (( segid " " and resid 77 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 849} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.300 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.82927E-02 ppm1 7.826 ppm2 1.536 CV 1 ASSI { 850} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.17900E-02 ppm1 7.826 ppm2 4.563 CV 1 ASSI { 851} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.36350E-02 ppm1 7.826 ppm2 4.362 CV 1 ASSI { 852} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.600 1.600 1.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.12954E-02 ppm1 7.826 ppm2 4.132 CV 1 ASSI { 853} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.13857E-02 ppm1 7.826 ppm2 4.048 CV 1 ASSI { 854} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.98856E-03 ppm1 7.826 ppm2 3.940 CV 1 ASSI { 857} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HB1 )) 5.000 3.100 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.17381E-03 ppm1 7.829 ppm2 2.243 CV 1 ASSI { 862} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 8.721 ppm2 4.415 CV 1 ASSI { 868} (( segid " " and resid 49 and name HN )) ( segid " " and resid 45 and name HD2%) 4.600 2.600 1.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.23330E-03 ppm1 8.721 ppm2 0.367 CV 1 ASSI { 872} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.700 1.800 1.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 8.471 ppm2 8.602 CV 1 ASSI { 875} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 875 spectrum 1 weight 0.10000E+01 volume 0.18752E-02 ppm1 8.605 ppm2 4.712 CV 1 ASSI { 876} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.900 1.000 1.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.27489E-02 ppm1 8.470 ppm2 4.363 CV 1 ASSI { 877} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.38137E-02 ppm1 8.469 ppm2 4.707 CV 1 ASSI { 879} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.000 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 8.605 ppm2 2.750 CV 1 ASSI { 880} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.100 2.100 1.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.43938E-03 ppm1 8.468 ppm2 2.876 CV 1 ASSI { 881} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.300 2.300 1.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.50189E-03 ppm1 8.471 ppm2 2.754 CV 1 ASSI { 883} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.000 1.100 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.21544E-02 ppm1 8.470 ppm2 1.574 CV 1 ASSI { 884} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.900 1.000 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.26616E-02 ppm1 8.470 ppm2 1.449 CV 1 ASSI { 885} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.500 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 8.469 ppm2 1.244 CV 1 ASSI { 886} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 3.900 1.900 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.67722E-03 ppm1 8.470 ppm2 0.794 CV 1 ASSI { 887} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 4.200 2.200 1.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.91270E-03 ppm1 8.471 ppm2 0.693 CV 1 ASSI { 888} (( segid " " and resid 25 and name HN )) ( segid " " and resid 18 and name HB% ) 4.600 2.600 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.27495E-03 ppm1 8.611 ppm2 1.539 CV 1 ASSI { 889} (( segid " " and resid 41 and name HN )) (( segid " " and resid 44 and name HN )) 3.600 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.73843E-03 ppm1 8.005 ppm2 8.158 CV 1 ASSI { 891} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD% ) 4.800 2.900 1.200 peak 891 spectrum 1 weight 0.10000E+01 volume 0.60125E-03 ppm1 8.005 ppm2 6.975 CV 1 ASSI { 892} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.300 1.300 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 8.006 ppm2 4.741 CV 1 ASSI { 893} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.200 0.600 0.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 8.005 ppm2 4.582 CV 1 ASSI { 895} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.500 1.500 1.500 peak 895 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 8.006 ppm2 3.275 CV 1 ASSI { 896} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.900 1.900 1.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.59964E-03 ppm1 8.008 ppm2 3.001 CV 1 ASSI { 897} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.25978E-02 ppm1 8.004 ppm2 2.839 CV 1 ASSI { 899} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 4.400 2.400 1.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.59433E-03 ppm1 9.428 ppm2 8.151 CV 1 ASSI { 902} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HA )) 4.400 2.400 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.18055E-03 ppm1 9.428 ppm2 4.901 CV 1 ASSI { 907} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) 2.600 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.47452E-02 ppm1 9.428 ppm2 1.576 CV 1 OR { 907} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 908} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.400 1.500 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.27916E-02 ppm1 9.428 ppm2 1.475 CV 1 ASSI { 913} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD2%) 3.900 1.900 1.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.13738E-02 ppm1 9.429 ppm2 0.626 CV 1 OR { 913} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 914} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HB1 )) 4.900 2.900 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.15941E-03 ppm1 9.429 ppm2 3.080 CV 1 ASSI { 915} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HB2 )) 5.400 3.700 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15561E-03 ppm1 9.430 ppm2 2.775 CV 1 ASSI { 917} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.300 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.42875E-02 ppm1 8.150 ppm2 1.607 CV 1 ASSI { 920} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 8.149 ppm2 0.963 CV 1 ASSI { 921} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.400 2.400 1.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10447E-02 ppm1 8.148 ppm2 0.881 CV 1 ASSI { 923} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB )) 3.900 1.900 1.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.11939E-02 ppm1 8.151 ppm2 4.182 CV 1 ASSI { 927} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.56593E-02 ppm1 7.818 ppm2 1.883 CV 1 ASSI { 928} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 3.900 1.900 1.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.24014E-02 ppm1 7.818 ppm2 1.744 CV 1 ASSI { 929} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.900 1.900 1.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.53914E-03 ppm1 7.844 ppm2 2.268 CV 1 ASSI { 930} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.000 2.000 2.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.56040E-03 ppm1 7.844 ppm2 2.115 CV 1 ASSI { 938} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.800 1.800 1.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.85246E-03 ppm1 7.819 ppm2 4.181 CV 1 ASSI { 939} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28A)) 4.800 2.900 1.200 peak 939 spectrum 1 weight 0.10000E+01 volume 0.35886E-03 ppm1 7.817 ppm2 3.458 CV 1 ASSI { 940} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.700 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.68946E-03 ppm1 7.818 ppm2 3.275 CV 1 ASSI { 942} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28B)) 3.800 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.32992E-03 ppm1 7.819 ppm2 3.891 CV 1 ASSI { 943} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 5.200 3.300 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.26430E-03 ppm1 7.819 ppm2 4.743 CV 1 ASSI { 945} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) 3.800 1.800 1.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.71008E-03 ppm1 7.597 ppm2 0.874 CV 1 ASSI { 946} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HB% ) 2.200 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.12410E-01 ppm1 7.597 ppm2 1.628 CV 1 ASSI { 947} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB1 )) 5.300 3.500 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.67959E-03 ppm1 7.596 ppm2 2.005 CV 1 ASSI { 948} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG )) 4.200 2.200 1.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 7.596 ppm2 1.843 CV 1 ASSI { 949} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.42814E-02 ppm1 7.597 ppm2 4.028 CV 1 OR { 949} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 950} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 7.597 ppm2 3.743 CV 1 ASSI { 951} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 4.200 2.200 1.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.38593E-03 ppm1 7.597 ppm2 4.900 CV 1 ASSI { 954} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.300 0.700 0.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.61897E-02 ppm1 7.597 ppm2 8.264 CV 1 ASSI { 955} (( segid " " and resid 81 and name HN )) (( segid " " and resid 83 and name HN )) 3.800 1.800 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.99334E-03 ppm1 7.596 ppm2 7.942 CV 1 ASSI { 957} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.200 2.200 1.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.38420E-03 ppm1 8.301 ppm2 2.323 CV 1 ASSI { 959} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) 3.100 1.200 1.200 peak 959 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 8.302 ppm2 1.501 CV 1 ASSI { 960} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) 4.100 2.100 1.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.87657E-03 ppm1 8.305 ppm2 1.119 CV 1 ASSI { 961} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 4.200 2.200 1.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.89380E-03 ppm1 8.302 ppm2 1.017 CV 1 ASSI { 962} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) 4.700 2.700 1.300 peak 962 spectrum 1 weight 0.10000E+01 volume 0.57801E-03 ppm1 8.301 ppm2 0.854 CV 1 ASSI { 963} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 8.302 ppm2 4.622 CV 1 ASSI { 964} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.60362E-03 ppm1 8.303 ppm2 3.747 CV 1 ASSI { 965} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.46856E-02 ppm1 8.303 ppm2 4.823 CV 1 ASSI { 966} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 4.300 2.300 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.81273E-03 ppm1 8.302 ppm2 8.482 CV 1 ASSI { 968} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG1 )) 5.200 3.400 0.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.30388E-03 ppm1 8.307 ppm2 2.745 CV 1 ASSI { 973} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.800 1.800 1.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.45308E-03 ppm1 8.072 ppm2 4.536 CV 1 ASSI { 981} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.35810E-02 ppm1 8.072 ppm2 8.216 CV 1 ASSI { 983} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.27632E-02 ppm1 7.973 ppm2 4.469 CV 1 ASSI { 987} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) 5.000 3.200 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.27840E-03 ppm1 7.454 ppm2 8.061 CV 1 ASSI { 990} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD2 )) 5.500 3.800 0.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.24336E-03 ppm1 8.304 ppm2 3.568 CV 1 ASSI { 3} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H2B )) 2.900 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.22482E-02 ppm1 1.677 ppm2 2.634 CV 1 OR { 3} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H2A )) OR { 3} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H2A )) OR { 3} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H2B )) ASSI { 31} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H32A)) 3.400 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.27185E-03 ppm1 2.564 ppm2 4.124 CV 1 OR { 31} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H32A)) ASSI { 73} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H2A )) 1.200 0.200 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.63121E-01 ppm1 2.629 ppm2 2.627 CV 1 OR { 73} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H2B )) ASSI { 74} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H38A)) 1.300 0.200 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.58139E-01 ppm1 2.562 ppm2 2.560 CV 1 OR { 74} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H38B)) ASSI { 91} (( segid " " and resid 42 and name H41A)) (( segid " " and resid 42 and name H36A)) 4.700 2.800 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.21262E-03 ppm1 8.274 ppm2 8.108 CV 1 ASSI { 96} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H28A)) 1.700 0.400 0.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.65344E-02 ppm1 3.888 ppm2 3.444 CV 1 ASSI { 110} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H37A)) 1.300 0.200 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.50142E-01 ppm1 3.582 ppm2 3.580 CV 1 OR { 110} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H37B)) ASSI { 111} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H42A)) 1.200 0.200 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.78562E-01 ppm1 3.420 ppm2 3.418 CV 1 OR { 111} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H42B)) ASSI { 113} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H3B )) 1.200 0.200 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.46276E-01 ppm1 1.677 ppm2 1.670 CV 1 OR { 113} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H3A )) ASSI { 124} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H43B)) 1.300 0.200 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.60662E-01 ppm1 3.071 ppm2 3.069 CV 1 OR { 124} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H43A)) ASSI { 2998} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 42 and name H28A)) 6.000 4.600 0.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.24644E-03 ppm1 2.847 ppm2 3.458 CV 1 ASSI { 2999} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 42 and name H28A)) 4.700 2.800 1.300 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.42497E-03 ppm1 2.753 ppm2 3.464 CV 1 ASSI { 5196} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H2A )) 3.900 1.900 1.900 peak 5196 spectrum 1 weight 0.10000E+01 volume 0.79609E-03 ppm1 1.549 ppm2 2.656 CV 1 OR { 5196} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H2B )) ASSI { 1} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H30%) 5.100 3.300 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.89547E-03 ppm1 0.255 ppm2 0.959 CV 1 ASSI { 2} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 42 and name H4% ) 4.300 2.400 1.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 0.351 ppm2 0.943 CV 1 ASSI { 3} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H4% ) 4.200 2.200 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 0.255 ppm2 0.943 CV 1 ASSI { 4} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H31%) 4.900 3.000 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.40315E-03 ppm1 0.244 ppm2 1.066 CV 1 ASSI { 5} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 42 and name H31%) 5.500 3.700 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.56684E-03 ppm1 0.352 ppm2 1.060 CV 1 ASSI { 8} (( segid " " and resid 42 and name H2A )) ( segid " " and resid 42 and name H4% ) 3.100 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.26128E-02 ppm1 2.635 ppm2 0.944 CV 1 OR { 8} (( segid " " and resid 42 and name H2B )) ( segid " " and resid 42 and name H4% ) ASSI { 9} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H31%) 3.700 1.700 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.26542E-02 ppm1 2.569 ppm2 1.063 CV 1 OR { 9} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H31%) ASSI { 10} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H30%) 4.900 3.000 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.19917E-02 ppm1 2.568 ppm2 0.961 CV 1 OR { 10} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H30%) ASSI { 11} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 3.800 1.800 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 2.830 ppm2 0.961 CV 1 ASSI { 12} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 2.742 ppm2 0.961 CV 1 ASSI { 13} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 3.700 1.700 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 2.743 ppm2 1.065 CV 1 ASSI { 14} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 4.400 2.500 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19802E-02 ppm1 2.828 ppm2 1.062 CV 1 ASSI { 15} (( segid " " and resid 42 and name H43B)) ( segid " " and resid 42 and name H31%) 3.300 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.22304E-02 ppm1 3.077 ppm2 1.062 CV 1 OR { 15} (( segid " " and resid 42 and name H43A)) ( segid " " and resid 42 and name H31%) ASSI { 16} (( segid " " and resid 42 and name H43B)) ( segid " " and resid 42 and name H30%) 4.100 2.100 1.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.21216E-02 ppm1 3.080 ppm2 0.960 CV 1 OR { 16} (( segid " " and resid 42 and name H43A)) ( segid " " and resid 42 and name H30%) ASSI { 17} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H30%) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.21266E-02 ppm1 2.324 ppm2 0.959 CV 1 OR { 17} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H30%) ASSI { 19} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) 3.200 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.26622E-02 ppm1 2.324 ppm2 1.064 CV 1 OR { 19} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) ASSI { 21} (( segid " " and resid 42 and name H3A )) ( segid " " and resid 42 and name H4% ) 2.300 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.10303E-01 ppm1 1.680 ppm2 0.930 CV 1 OR { 21} (( segid " " and resid 42 and name H3B )) ( segid " " and resid 42 and name H4% ) ASSI { 22} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H31%) 2.900 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13351E-01 ppm1 3.445 ppm2 1.063 CV 1 ASSI { 23} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) 2.100 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20668E-01 ppm1 3.447 ppm2 0.961 CV 1 ASSI { 24} (( segid " " and resid 42 and name H37A)) ( segid " " and resid 42 and name H31%) 3.900 1.900 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.24355E-02 ppm1 3.588 ppm2 1.062 CV 1 OR { 24} (( segid " " and resid 42 and name H37B)) ( segid " " and resid 42 and name H31%) ASSI { 25} (( segid " " and resid 42 and name H37A)) ( segid " " and resid 42 and name H30%) 4.800 2.900 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 3.588 ppm2 0.960 CV 1 OR { 25} (( segid " " and resid 42 and name H37B)) ( segid " " and resid 42 and name H30%) ASSI { 26} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 2.400 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.91093E-02 ppm1 3.895 ppm2 1.063 CV 1 ASSI { 27} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H30%) 2.000 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.20747E-01 ppm1 3.896 ppm2 0.960 CV 1 ASSI { 28} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H30%) 2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.77311E-02 ppm1 4.132 ppm2 0.961 CV 1 ASSI { 29} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H31%) 2.300 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12891E-01 ppm1 4.133 ppm2 1.063 CV 1 ASSI { 31} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H31%) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.19711E-02 ppm1 4.341 ppm2 1.063 CV 1 ASSI { 33} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H30%) 4.600 2.600 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 4.331 ppm2 0.958 CV 1 ASSI { 34} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H31%) 2.300 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.63051E-02 ppm1 8.117 ppm2 1.063 CV 1 ASSI { 35} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H30%) 3.600 1.600 1.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.59793E-02 ppm1 8.116 ppm2 0.960 CV 1 ASSI { 36} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H30%) 4.900 3.000 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 8.265 ppm2 0.960 CV 1 ASSI { 37} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H31%) 3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15966E-02 ppm1 8.266 ppm2 1.063 CV 1 ASSI { 38} ( segid " " and resid 42 and name H31%) ( segid " " and resid 42 and name H30%) 2.100 0.500 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.18863E-01 ppm1 1.065 ppm2 0.961 CV 1 ASSI { 43} (( segid " " and resid 42 and name H32A)) (( segid " " and resid 42 and name H36A)) 2.100 0.500 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.11719E-01 ppm1 4.132 ppm2 8.114 CV 1 ASSI { 44} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H41A)) 4.400 2.400 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.20665E-02 ppm1 3.586 ppm2 8.265 CV 1 OR { 44} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H41A)) ASSI { 45} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H36A)) 2.300 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14581E-01 ppm1 3.589 ppm2 8.114 CV 1 OR { 45} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H36A)) ASSI { 46} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H41A)) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10322E-01 ppm1 3.427 ppm2 8.266 CV 1 OR { 46} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H41A)) ASSI { 47} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H41A)) 3.300 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.27572E-02 ppm1 3.079 ppm2 8.265 CV 1 OR { 47} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H41A)) ASSI { 48} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H36A)) 4.800 2.900 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 3.443 ppm2 8.114 CV 1 ASSI { 49} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H41A)) 2.200 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.14301E-01 ppm1 2.569 ppm2 8.265 CV 1 OR { 49} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H41A)) ASSI { 50} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H36A)) 2.900 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.53185E-02 ppm1 2.569 ppm2 8.114 CV 1 OR { 50} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H36A)) ASSI { 51} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H36A)) 5.000 3.200 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 3.894 ppm2 8.112 CV 1 ASSI { 52} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H32A)) 3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.48267E-02 ppm1 3.895 ppm2 4.131 CV 1 ASSI { 53} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H32A)) 3.900 1.900 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 3.590 ppm2 4.131 CV 1 OR { 53} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H32A)) ASSI { 54} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H32A)) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.44570E-02 ppm1 3.449 ppm2 4.131 CV 1 ASSI { 60} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H42A)) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12077E-01 ppm1 3.076 ppm2 3.426 CV 1 OR { 60} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H42B)) OR { 60} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H42A)) OR { 60} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H42B)) ASSI { 62} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37A)) 2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.17770E-01 ppm1 2.569 ppm2 3.589 CV 1 OR { 62} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37B)) OR { 62} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37A)) OR { 62} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37B)) ASSI { 63} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H42A)) 4.900 3.000 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.98067E-03 ppm1 2.566 ppm2 3.432 CV 1 OR { 63} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H42B)) OR { 63} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H42B)) OR { 63} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H42A)) ASSI { 67} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H38A)) 3.000 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.70111E-03 ppm1 3.077 ppm2 2.570 CV 1 OR { 67} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H38A)) OR { 67} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H38B)) OR { 67} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H38B)) ASSI { 69} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H28B)) 4.000 2.000 2.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19937E-02 ppm1 4.252 ppm2 3.887 CV 1 ASSI { 70} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H28A)) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 4.254 ppm2 3.438 CV 1 ASSI { 71} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H43B)) 4.300 2.300 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 4.241 ppm2 3.075 CV 1 OR { 71} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H43A)) ASSI { 72} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H2B )) 4.100 2.100 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.99474E-03 ppm1 4.245 ppm2 2.631 CV 1 OR { 72} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name H2A )) ASSI { 74} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H2A )) 3.800 1.800 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.86685E-03 ppm1 1.395 ppm2 2.634 CV 1 OR { 74} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H2B )) ASSI { 75} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H2A )) 5.000 3.100 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.54016E-03 ppm1 0.345 ppm2 2.635 CV 1 OR { 75} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H2B )) ASSI { 76} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H2A )) 3.800 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.83797E-03 ppm1 0.255 ppm2 2.633 CV 1 OR { 76} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H2B )) ASSI { 78} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H2A )) 4.600 2.700 1.400 peak 78 spectrum 1 weight 0.10000E+01 volume 0.82744E-03 ppm1 3.428 ppm2 2.636 CV 1 OR { 78} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H2A )) OR { 78} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H2B )) OR { 78} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H2B )) ASSI { 1} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.12565E-01 ppm1 2.848 ppm2 2.338 CV 1 OR { 1} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB1 )) OR { 1} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HB1 )) ASSI { 31} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 64 and name HA )) 3.700 1.700 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.44891E-03 ppm1 1.184 ppm2 3.885 CV 1 OR { 31} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 75 and name HA )) ASSI { 46} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 64 and name HB )) 4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10858E-02 ppm1 1.184 ppm2 2.259 CV 1 OR { 46} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HB2 )) OR { 46} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HB1 )) ASSI { 47} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.31280E-03 ppm1 1.183 ppm2 4.624 CV 1 OR { 47} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HB )) OR { 47} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 63} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 64 and name HG1%) 2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.38742E-02 ppm1 1.136 ppm2 0.964 CV 1 OR { 63} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HG )) ASSI { 72} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HB2 )) 3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 1.134 ppm2 1.863 CV 1 OR { 72} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 72 and name HB1 )) OR { 72} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 34 and name HB2 )) ASSI { 73} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HB1 )) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.20832E-02 ppm1 1.132 ppm2 2.051 CV 1 OR { 73} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HB1 )) ASSI { 81} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 2.900 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.52984E-02 ppm1 1.126 ppm2 4.045 CV 1 OR { 81} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 27 and name HB1 )) ASSI { 85} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HA )) 4.000 2.000 2.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.32348E-03 ppm1 1.135 ppm2 4.628 CV 1 OR { 85} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HB )) OR { 85} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 60 and name HA )) ASSI { 109} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 64 and name HG1%) 2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.70868E-02 ppm1 1.134 ppm2 1.007 CV 1 OR { 109} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HG )) OR { 109} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 64 and name HG2%) OR { 109} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 77 and name HD2%) ASSI { 112} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 27 and name HN )) 3.400 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.19109E-02 ppm1 1.125 ppm2 8.243 CV 1 OR { 112} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) ASSI { 124} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) 2.200 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.69843E-02 ppm1 3.583 ppm2 1.024 CV 1 OR { 124} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG2%) ASSI { 131} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.300 1.300 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.32109E-02 ppm1 0.987 ppm2 7.454 CV 1 OR { 131} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) OR { 131} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 68 and name HN )) ASSI { 132} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 27 and name HN )) 3.300 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.23106E-02 ppm1 1.049 ppm2 8.244 CV 1 OR { 132} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) OR { 132} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) OR { 132} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HN )) ASSI { 136} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 77 and name HG )) 3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.13378E-02 ppm1 3.586 ppm2 1.821 CV 1 OR { 136} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB )) ASSI { 140} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.86605E-02 ppm1 1.039 ppm2 2.050 CV 1 OR { 140} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HG )) OR { 140} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 71 and name HB2 )) ASSI { 144} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.100 0.500 0.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12567E-01 ppm1 1.052 ppm2 4.219 CV 1 OR { 144} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 10 and name HA )) ASSI { 147} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15651E-02 ppm1 2.053 ppm2 2.227 CV 1 OR { 147} (( segid " " and resid 52 and name HG )) (( segid " " and resid 51 and name HB1 )) ASSI { 151} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.46678E-02 ppm1 1.038 ppm2 1.452 CV 1 OR { 151} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 152} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 13 and name HB% ) 2.100 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.13930E-01 ppm1 1.043 ppm2 1.676 CV 1 OR { 152} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 156} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.100 0.500 0.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.99882E-02 ppm1 2.060 ppm2 0.869 CV 1 OR { 156} (( segid " " and resid 52 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 157} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.47576E-02 ppm1 2.226 ppm2 0.866 CV 1 OR { 157} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 167} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 48 and name HG2%) 4.000 2.000 2.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 2.233 ppm2 1.127 CV 1 OR { 167} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 60 and name HG12)) OR { 167} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 10 and name HD2%) ASSI { 182} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.23056E-02 ppm1 1.041 ppm2 8.436 CV 1 OR { 182} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HN )) ASSI { 186} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 1.041 ppm2 2.226 CV 1 OR { 186} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) OR { 186} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 187} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB1 )) 2.200 0.600 0.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.89659E-02 ppm1 0.876 ppm2 2.202 CV 1 OR { 187} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 190} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD2%) 3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.45317E-02 ppm1 1.449 ppm2 1.044 CV 1 OR { 190} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 10 and name HD1%) ASSI { 191} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 38 and name HG2%) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 1.424 ppm2 1.062 CV 1 OR { 191} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD2%) ASSI { 210} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.200 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.38790E-02 ppm1 1.028 ppm2 1.530 CV 1 OR { 210} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HB% ) ASSI { 213} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.200 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.74149E-02 ppm1 1.028 ppm2 1.819 CV 1 OR { 213} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 77 and name HG )) ASSI { 215} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HN )) 4.200 2.200 1.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.53485E-03 ppm1 1.028 ppm2 7.444 CV 1 OR { 215} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 68 and name HN )) ASSI { 229} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HA )) 3.700 1.700 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.88731E-03 ppm1 0.856 ppm2 4.299 CV 1 OR { 229} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 229} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 234} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD1 )) 5.000 3.200 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.63051E-03 ppm1 0.856 ppm2 4.025 CV 1 OR { 234} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HA )) ASSI { 237} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HB1 )) 4.100 2.200 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 0.856 ppm2 2.216 CV 1 OR { 237} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 64 and name HB )) ASSI { 241} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB )) 2.400 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.60227E-02 ppm1 0.857 ppm2 1.822 CV 1 OR { 241} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 77 and name HG )) ASSI { 243} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 49 and name HB% ) 2.100 0.500 0.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.97906E-02 ppm1 0.857 ppm2 1.517 CV 1 OR { 243} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) ASSI { 248} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 60 and name HG2%) 2.100 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.97288E-02 ppm1 0.857 ppm2 1.045 CV 1 OR { 248} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 250} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HG )) 4.000 2.000 2.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.17795E-02 ppm1 1.136 ppm2 1.694 CV 1 OR { 250} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 13 and name HB% ) OR { 250} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 252} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.15355E-02 ppm1 3.963 ppm2 4.429 CV 1 OR { 252} (( segid " " and resid 48 and name HA )) (( segid " " and resid 13 and name HA )) ASSI { 253} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HA )) 4.100 2.100 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.73746E-03 ppm1 3.966 ppm2 4.243 CV 1 OR { 253} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HA )) OR { 253} (( segid " " and resid 48 and name HA )) (( segid " " and resid 46 and name HA )) OR { 253} (( segid " " and resid 48 and name HA )) (( segid " " and resid 10 and name HA )) ASSI { 255} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.34915E-02 ppm1 4.425 ppm2 3.931 CV 1 OR { 255} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HA )) ASSI { 269} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 4.100 2.100 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.59605E-03 ppm1 3.964 ppm2 8.461 CV 1 OR { 269} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 286} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.68823E-03 ppm1 2.204 ppm2 3.968 CV 1 OR { 286} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 293} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 2.600 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 2.201 ppm2 8.456 CV 1 OR { 293} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 297} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HD2 )) 2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.29340E-02 ppm1 2.038 ppm2 3.322 CV 1 OR { 297} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD2 )) OR { 297} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD2 )) ASSI { 298} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 3.500 1.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 1.129 ppm2 2.206 CV 1 OR { 298} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HB1 )) OR { 298} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 299} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.900 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.34547E-02 ppm1 1.129 ppm2 2.049 CV 1 OR { 299} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 300} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HG )) 3.500 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.23920E-02 ppm1 1.130 ppm2 1.885 CV 1 OR { 300} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HG )) ASSI { 308} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.78718E-02 ppm1 1.129 ppm2 0.871 CV 1 OR { 308} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 60 and name HD1%) OR { 308} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 78 and name HG2%) ASSI { 314} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.81934E-02 ppm1 1.129 ppm2 3.960 CV 1 OR { 314} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 316} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.100 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10642E-01 ppm1 1.129 ppm2 4.415 CV 1 OR { 316} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) ASSI { 318} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.300 1.300 1.300 peak 318 spectrum 1 weight 0.10000E+01 volume 0.13506E-02 ppm1 1.131 ppm2 8.419 CV 1 OR { 318} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) ASSI { 336} (( segid " " and resid 68 and name HA )) ( segid " " and resid 64 and name HG1%) 4.600 2.600 1.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.59750E-03 ppm1 4.453 ppm2 0.990 CV 1 OR { 336} (( segid " " and resid 68 and name HA )) (( segid " " and resid 74 and name HG )) ASSI { 341} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.700 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.38183E-02 ppm1 4.453 ppm2 7.475 CV 1 OR { 341} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) ASSI { 342} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.200 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 2.391 ppm2 7.476 CV 1 OR { 342} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) ASSI { 359} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.900 1.100 1.100 peak 359 spectrum 1 weight 0.10000E+01 volume 0.51308E-02 ppm1 1.544 ppm2 1.037 CV 1 OR { 359} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD2%) ASSI { 370} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) 3.800 1.800 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.98250E-03 ppm1 1.548 ppm2 2.342 CV 1 OR { 370} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HB2 )) OR { 370} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB2 )) ASSI { 372} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB1 )) 4.200 2.200 1.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 1.545 ppm2 2.209 CV 1 OR { 372} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) OR { 372} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 64 and name HB )) ASSI { 377} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.47956E-02 ppm1 1.546 ppm2 4.267 CV 1 OR { 377} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) OR { 377} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 381} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.67105E-03 ppm1 1.546 ppm2 8.469 CV 1 OR { 381} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 59 and name HN )) ASSI { 389} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.000 1.200 1.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 3.951 ppm2 8.248 CV 1 OR { 389} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) OR { 389} (( segid " " and resid 15 and name HA )) (( segid " " and resid 27 and name HN )) ASSI { 392} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.300 1.400 1.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 3.958 ppm2 2.227 CV 1 OR { 392} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 393} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG )) 3.500 1.600 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 3.962 ppm2 2.055 CV 1 OR { 393} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB2 )) ASSI { 398} (( segid " " and resid 49 and name HA )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.13662E-02 ppm1 3.958 ppm2 1.012 CV 1 OR { 398} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HG2%) OR { 398} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 399} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HD1%) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.52994E-02 ppm1 3.958 ppm2 0.862 CV 1 OR { 399} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) OR { 399} (( segid " " and resid 49 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 401} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11163E-02 ppm1 3.957 ppm2 4.307 CV 1 OR { 401} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HA )) ASSI { 417} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) 3.600 1.700 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.77231E-03 ppm1 1.675 ppm2 3.955 CV 1 OR { 417} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) ASSI { 419} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.100 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.12649E-01 ppm1 1.676 ppm2 4.402 CV 1 OR { 419} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HA )) ASSI { 432} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.37753E-02 ppm1 1.675 ppm2 8.408 CV 1 OR { 432} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 451} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.30997E-02 ppm1 1.065 ppm2 7.730 CV 1 OR { 451} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 453} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10879E-02 ppm1 1.069 ppm2 3.027 CV 1 OR { 453} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 37 and name HB2 )) ASSI { 465} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB1 )) 2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.65382E-02 ppm1 2.632 ppm2 2.274 CV 1 OR { 465} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HB2 )) ASSI { 477} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 1.700 0.400 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.16125E-01 ppm1 2.287 ppm2 2.471 CV 1 OR { 477} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) ASSI { 485} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) 4.100 2.100 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.98454E-03 ppm1 2.715 ppm2 2.052 CV 1 OR { 485} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 485} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 485} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 52 and name HG )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 52 and name HG )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB1 )) OR { 485} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB1 )) OR { 485} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 12 and name HB1 )) ASSI { 486} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB2 )) 3.800 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.11765E-02 ppm1 2.713 ppm2 1.400 CV 1 OR { 486} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) OR { 486} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 486} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 6 and name HG2%) OR { 486} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 486} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HG1 )) OR { 486} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 487} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.17609E-02 ppm1 3.323 ppm2 1.046 CV 1 OR { 487} (( segid " " and resid 31 and name HA )) ( segid " " and resid 10 and name HD1%) ASSI { 488} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.24939E-02 ppm1 3.323 ppm2 1.645 CV 1 OR { 488} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 510} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HN )) 4.300 2.400 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.72152E-03 ppm1 0.805 ppm2 8.066 CV 1 OR { 510} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 32 and name HN )) OR { 510} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 30 and name HN )) ASSI { 513} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.18300E-02 ppm1 0.884 ppm2 8.290 CV 1 OR { 513} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HN )) ASSI { 515} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) 4.200 2.200 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 0.857 ppm2 8.306 CV 1 OR { 515} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 525} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD1%) 4.000 2.000 2.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.66101E-03 ppm1 4.238 ppm2 0.787 CV 1 OR { 525} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD2%) OR { 525} (( segid " " and resid 71 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 527} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 3.500 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 4.241 ppm2 1.131 CV 1 OR { 527} (( segid " " and resid 71 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 557} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 2.267 ppm2 0.900 CV 1 OR { 557} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 38 and name HD1%) OR { 557} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 75 and name HD2%) ASSI { 558} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 14 and name HD2%) 4.500 2.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.50916E-03 ppm1 2.031 ppm2 0.902 CV 1 OR { 558} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 75 and name HD2%) OR { 558} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 38 and name HD1%) ASSI { 559} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.900 3.000 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.62482E-03 ppm1 2.265 ppm2 0.799 CV 1 OR { 559} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 75 and name HD1%) ASSI { 560} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 31 and name HD2%) 5.000 3.200 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.33680E-03 ppm1 2.032 ppm2 0.796 CV 1 OR { 560} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 75 and name HD1%) ASSI { 587} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.100 1.200 1.200 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 2.266 ppm2 7.225 CV 1 OR { 587} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 588} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.77333E-03 ppm1 2.033 ppm2 7.224 CV 1 OR { 588} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 593} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) 2.800 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.19968E-02 ppm1 2.201 ppm2 0.897 CV 1 OR { 593} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 14 and name HD2%) ASSI { 614} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.74047E-03 ppm1 2.206 ppm2 7.218 CV 1 OR { 614} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 618} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 33 and name HN )) 3.800 1.800 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.60233E-03 ppm1 1.358 ppm2 7.213 CV 1 OR { 618} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HE% ) ASSI { 634} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.60340E-02 ppm1 2.338 ppm2 4.268 CV 1 OR { 634} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) OR { 634} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 43 and name HA )) ASSI { 649} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.99565E-03 ppm1 4.044 ppm2 2.032 CV 1 OR { 649} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 77 and name HB1 )) ASSI { 651} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 38 and name HD1%) 3.500 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 4.045 ppm2 0.893 CV 1 OR { 651} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 78 and name HG2%) OR { 651} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 75 and name HD2%) ASSI { 653} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) 3.200 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.79963E-03 ppm1 2.852 ppm2 0.897 CV 1 OR { 653} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 14 and name HD2%) OR { 653} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 75 and name HD2%) ASSI { 675} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 77 and name HG )) 4.200 2.200 1.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 4.026 ppm2 1.825 CV 1 OR { 675} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HB )) ASSI { 678} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.33100E-02 ppm1 7.320 ppm2 8.053 CV 1 OR { 678} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 32 and name HN )) ASSI { 691} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB1 )) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.37395E-02 ppm1 7.321 ppm2 3.307 CV 1 OR { 691} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HA )) ASSI { 693} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) 3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.98454E-03 ppm1 7.320 ppm2 2.036 CV 1 OR { 693} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) OR { 693} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HB1 )) OR { 693} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HB2 )) OR { 693} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HB2 )) ASSI { 695} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG2 )) 2.600 0.900 0.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.19175E-02 ppm1 7.323 ppm2 1.381 CV 1 OR { 695} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG2 )) OR { 695} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) ASSI { 698} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HB2 )) 3.700 1.700 1.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 7.321 ppm2 1.070 CV 1 OR { 698} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HB2 )) OR { 698} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 698} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 698} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 698} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 698} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) ASSI { 699} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) 3.300 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.14045E-02 ppm1 7.321 ppm2 0.898 CV 1 OR { 699} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) OR { 699} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) OR { 699} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) ASSI { 700} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.82556E-03 ppm1 7.322 ppm2 0.801 CV 1 OR { 700} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) OR { 700} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) OR { 700} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) ASSI { 707} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.61119E-03 ppm1 7.352 ppm2 1.397 CV 1 OR { 707} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG1 )) ASSI { 717} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 35 and name HA )) 4.000 2.000 2.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.78417E-03 ppm1 3.310 ppm2 4.366 CV 1 OR { 717} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HA )) ASSI { 718} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.700 1.700 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16199E-02 ppm1 3.026 ppm2 4.379 CV 1 OR { 718} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 723} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.77902E-03 ppm1 3.306 ppm2 7.213 CV 1 OR { 723} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 726} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.96676E-03 ppm1 3.306 ppm2 8.048 CV 1 OR { 726} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 727} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.200 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.39902E-02 ppm1 3.020 ppm2 8.049 CV 1 OR { 727} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 729} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 3.308 ppm2 1.064 CV 1 OR { 729} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 730} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.000 1.100 1.100 peak 730 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 3.031 ppm2 1.066 CV 1 OR { 730} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD2%) ASSI { 736} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) 3.400 1.400 1.400 peak 736 spectrum 1 weight 0.10000E+01 volume 0.22311E-02 ppm1 7.227 ppm2 2.045 CV 1 OR { 736} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) OR { 736} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) OR { 736} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) OR { 736} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) ASSI { 737} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HG )) 3.100 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.86293E-03 ppm1 7.225 ppm2 1.906 CV 1 OR { 737} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 14 and name HG )) ASSI { 739} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 2.400 0.700 0.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.28996E-02 ppm1 7.227 ppm2 1.392 CV 1 OR { 739} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HG1 )) ASSI { 740} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 10 and name HD2%) 2.800 1.000 1.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.21815E-02 ppm1 7.226 ppm2 1.137 CV 1 OR { 740} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 48 and name HG2%) ASSI { 741} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) 2.800 1.000 1.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.23853E-02 ppm1 7.226 ppm2 0.901 CV 1 OR { 741} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) OR { 741} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD2%) ASSI { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.99270E-03 ppm1 7.229 ppm2 0.798 CV 1 OR { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) OR { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD2%) OR { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD2%) OR { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD1%) OR { 742} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD1%) ASSI { 745} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HA )) 4.000 2.000 2.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.51951E-03 ppm1 7.229 ppm2 3.311 CV 1 OR { 745} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB1 )) ASSI { 752} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.26159E-02 ppm1 3.582 ppm2 4.380 CV 1 OR { 752} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 753} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.25369E-02 ppm1 3.111 ppm2 4.381 CV 1 OR { 753} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 766} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.600 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.13903E-02 ppm1 3.581 ppm2 8.434 CV 1 OR { 766} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 45 and name HN )) ASSI { 810} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 3.900 1.900 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 6.989 ppm2 4.379 CV 1 OR { 810} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 18 and name HA )) OR { 810} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 14 and name HA )) ASSI { 811} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.32274E-02 ppm1 7.148 ppm2 4.382 CV 1 OR { 811} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 36 and name HA )) ASSI { 812} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HA )) 4.400 2.500 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.55342E-03 ppm1 6.953 ppm2 4.388 CV 1 OR { 812} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 14 and name HA )) ASSI { 820} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB1 )) 3.500 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.16537E-02 ppm1 7.149 ppm2 3.002 CV 1 OR { 820} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 69 and name HB1 )) ASSI { 829} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) 2.800 1.000 1.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.56357E-02 ppm1 6.989 ppm2 1.543 CV 1 OR { 829} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) OR { 829} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) OR { 829} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) OR { 829} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 18 and name HB% ) OR { 829} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 18 and name HB% ) ASSI { 845} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) 3.700 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.94867E-03 ppm1 6.946 ppm2 0.898 CV 1 OR { 845} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) ASSI { 848} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HG )) 3.700 1.700 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.78460E-03 ppm1 6.950 ppm2 0.989 CV 1 OR { 848} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 64 and name HG1%) ASSI { 858} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 4.385 ppm2 7.724 CV 1 OR { 858} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 876} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 4.392 ppm2 3.010 CV 1 OR { 876} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 893} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) 3.000 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.19044E-02 ppm1 6.822 ppm2 3.018 CV 1 OR { 893} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB1 )) ASSI { 899} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HA )) 3.000 3.000 3.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.76447E-03 ppm1 6.823 ppm2 4.549 CV 1 OR { 899} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HA )) ASSI { 917} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.28991E-02 ppm1 2.815 ppm2 8.034 CV 1 OR { 917} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) ASSI { 919} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 2.200 0.600 0.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.93922E-02 ppm1 4.597 ppm2 8.015 CV 1 OR { 919} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 926} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB2 )) 4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.38001E-03 ppm1 3.025 ppm2 1.405 CV 1 OR { 926} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HG )) ASSI { 927} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 45 and name HG )) 4.500 2.500 1.500 peak 927 spectrum 1 weight 0.10000E+01 volume 0.54698E-03 ppm1 2.816 ppm2 1.399 CV 1 OR { 927} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 65 and name HB% ) ASSI { 928} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG12)) 3.000 1.100 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 3.006 ppm2 1.549 CV 1 OR { 928} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) OR { 928} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HB2 )) ASSI { 929} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 44 and name HB% ) 3.400 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 2.816 ppm2 1.547 CV 1 OR { 929} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HG12)) ASSI { 952} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HN )) 4.300 2.300 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.57157E-03 ppm1 3.471 ppm2 7.980 CV 1 OR { 952} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 86 and name HN )) ASSI { 957} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA2 )) 4.900 3.000 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.36575E-03 ppm1 3.468 ppm2 4.103 CV 1 OR { 957} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA1 )) OR { 957} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 53 and name HA )) OR { 957} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 55 and name HA )) ASSI { 958} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 4.300 2.300 1.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.44719E-03 ppm1 2.816 ppm2 4.107 CV 1 OR { 958} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA2 )) OR { 958} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA1 )) OR { 958} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 963} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) 2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.45035E-02 ppm1 3.465 ppm2 0.987 CV 1 OR { 963} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 58 and name HG2%) OR { 963} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) ASSI { 965} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) 2.800 1.000 1.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.26556E-02 ppm1 2.814 ppm2 0.984 CV 1 OR { 965} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD2%) OR { 965} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 975} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) 4.000 2.000 2.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.40488E-03 ppm1 7.445 ppm2 4.102 CV 1 OR { 975} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) OR { 975} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HA )) OR { 975} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) OR { 975} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) ASSI { 985} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HN )) 2.900 2.900 3.100 peak 985 spectrum 1 weight 0.10000E+01 volume 0.85370E-03 ppm1 6.824 ppm2 8.131 CV 1 OR { 985} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HN )) ASSI { 994} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HG )) 3.200 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.14769E-02 ppm1 6.819 ppm2 1.587 CV 1 OR { 994} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HG )) OR { 994} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB2 )) OR { 994} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB2 )) ASSI { 998} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) 2.700 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 6.820 ppm2 0.888 CV 1 OR { 998} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) ASSI { 1001} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB2 )) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.14163E-02 ppm1 7.444 ppm2 1.594 CV 1 OR { 1001} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB2 )) OR { 1001} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HG )) OR { 1001} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HG )) OR { 1001} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 85 and name HB% ) OR { 1001} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 85 and name HB% ) ASSI { 1004} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) 2.800 1.000 1.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.45806E-02 ppm1 7.444 ppm2 1.016 CV 1 OR { 1004} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) OR { 1004} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) OR { 1004} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) OR { 1004} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG2 )) OR { 1004} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG2 )) ASSI { 1005} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10435E-02 ppm1 7.442 ppm2 0.890 CV 1 OR { 1005} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 1009} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 2.900 1.100 1.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.36906E-02 ppm1 1.576 ppm2 4.248 CV 1 OR { 1009} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HA )) ASSI { 1032} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.38668E-02 ppm1 2.275 ppm2 4.227 CV 1 OR { 1032} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) ASSI { 1035} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.300 2.300 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.46781E-03 ppm1 2.263 ppm2 7.563 CV 1 OR { 1035} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 51 and name HE )) ASSI { 1037} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.900 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.21159E-02 ppm1 2.282 ppm2 7.829 CV 1 OR { 1037} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) OR { 1037} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 85 and name HN )) ASSI { 1042} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HE )) 4.300 2.400 1.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.42552E-03 ppm1 2.496 ppm2 8.006 CV 1 OR { 1042} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HE )) OR { 1042} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HE )) OR { 1042} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HE )) OR { 1042} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 40 and name HN )) OR { 1042} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 40 and name HN )) OR { 1042} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 40 and name HN )) OR { 1042} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 40 and name HN )) ASSI { 1094} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.45464E-02 ppm1 1.571 ppm2 4.235 CV 1 OR { 1094} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 10 and name HA )) ASSI { 1095} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37915E-02 ppm1 1.580 ppm2 4.219 CV 1 OR { 1095} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 10 and name HA )) ASSI { 1097} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) 4.100 2.100 1.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.14690E-02 ppm1 0.996 ppm2 4.230 CV 1 OR { 1097} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 1105} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.45329E-02 ppm1 2.020 ppm2 8.278 CV 1 OR { 1105} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HN )) ASSI { 1108} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.200 1.300 1.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.14972E-02 ppm1 4.235 ppm2 7.966 CV 1 OR { 1108} (( segid " " and resid 82 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 1111} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 86 and name HN )) 4.400 2.500 1.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.58654E-03 ppm1 0.999 ppm2 7.964 CV 1 OR { 1111} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 83 and name HN )) ASSI { 1112} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 1.571 ppm2 7.963 CV 1 OR { 1112} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 77 and name HN )) ASSI { 1121} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.19220E-02 ppm1 1.572 ppm2 4.917 CV 1 OR { 1121} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HA )) ASSI { 1125} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HA )) 4.100 2.100 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.61591E-03 ppm1 0.999 ppm2 4.685 CV 1 OR { 1125} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 58 and name HA )) ASSI { 1129} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.600 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.32022E-02 ppm1 1.567 ppm2 3.898 CV 1 OR { 1129} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 7 and name HA )) OR { 1129} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 75 and name HA )) ASSI { 1153} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.73268E-02 ppm1 4.235 ppm2 1.575 CV 1 OR { 1153} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 1156} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HG )) 2.300 0.700 0.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.63556E-02 ppm1 0.995 ppm2 1.567 CV 1 OR { 1156} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB2 )) ASSI { 1157} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 2.900 1.100 1.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.69140E-02 ppm1 0.997 ppm2 1.568 CV 1 OR { 1157} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 85 and name HB% ) OR { 1157} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 5 and name HG )) ASSI { 1169} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD2%) 2.400 0.700 0.700 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.87625E-02 ppm1 2.021 ppm2 0.991 CV 1 OR { 1169} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) OR { 1169} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 1169} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1170} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 60 and name HD1%) 3.200 1.300 1.300 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.21866E-02 ppm1 2.017 ppm2 0.886 CV 1 OR { 1170} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 78 and name HG2%) OR { 1170} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 78 and name HG2%) OR { 1170} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 52 and name HD1%) ASSI { 1172} (( segid " " and resid 14 and name HG )) ( segid " " and resid 14 and name HD2%) 2.200 0.600 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.93181E-02 ppm1 1.877 ppm2 0.904 CV 1 OR { 1172} (( segid " " and resid 82 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 1173} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD1%) 2.400 0.700 0.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.10060E-01 ppm1 1.572 ppm2 0.995 CV 1 OR { 1173} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD2%) OR { 1173} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 4 and name HD2%) ASSI { 1174} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD2%) 2.700 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.36497E-02 ppm1 1.588 ppm2 0.894 CV 1 OR { 1174} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 75 and name HD2%) OR { 1174} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 52 and name HD1%) OR { 1174} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1202} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HN )) 3.800 1.800 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.95195E-03 ppm1 4.037 ppm2 8.293 CV 1 OR { 1202} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HN )) OR { 1202} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HN )) OR { 1202} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HN )) OR { 1202} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HN )) OR { 1202} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HN )) ASSI { 1211} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 77 and name HA )) 3.600 1.700 1.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 4.036 ppm2 4.270 CV 1 OR { 1211} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HA )) OR { 1211} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 77 and name HA )) OR { 1211} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HA )) ASSI { 1219} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) 3.100 1.200 1.200 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.34799E-02 ppm1 4.039 ppm2 1.616 CV 1 OR { 1219} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 81 and name HB% ) OR { 1219} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) OR { 1219} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 81 and name HB% ) ASSI { 1232} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 4.000 2.000 2.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 2.786 ppm2 0.895 CV 1 OR { 1232} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HD2%) OR { 1232} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 1288} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.14716E-02 ppm1 0.883 ppm2 8.886 CV 1 OR { 1288} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 53 and name HN )) ASSI { 1293} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.45854E-02 ppm1 3.755 ppm2 8.295 CV 1 OR { 1293} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) ASSI { 1313} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.69247E-03 ppm1 0.808 ppm2 4.297 CV 1 OR { 1313} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 1313} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 50 and name HA )) ASSI { 1319} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.58815E-03 ppm1 0.805 ppm2 4.120 CV 1 OR { 1319} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 54 and name HB2 )) ASSI { 1322} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.73306E-03 ppm1 0.886 ppm2 2.786 CV 1 OR { 1322} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 53 and name HG1 )) OR { 1322} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 1339} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.28893E-02 ppm1 3.754 ppm2 1.945 CV 1 OR { 1339} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 1341} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.32947E-02 ppm1 1.748 ppm2 1.941 CV 1 OR { 1341} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 77 and name HB2 )) ASSI { 1357} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 81 and name HB% ) 3.400 1.500 1.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 0.884 ppm2 1.613 CV 1 OR { 1357} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB1 )) ASSI { 1376} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG2%) 3.000 1.100 1.100 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 3.755 ppm2 0.977 CV 1 OR { 1376} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 1376} (( segid " " and resid 78 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 1376} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD1%) OR { 1376} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 58 and name HG2%) ASSI { 1384} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.600 0.800 0.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.31762E-02 ppm1 1.947 ppm2 0.884 CV 1 OR { 1384} (( segid " " and resid 78 and name HB )) ( segid " " and resid 52 and name HD1%) OR { 1384} (( segid " " and resid 78 and name HB )) ( segid " " and resid 60 and name HD1%) ASSI { 1388} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HD1%) 2.600 0.900 0.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 1.947 ppm2 0.809 CV 1 OR { 1388} (( segid " " and resid 78 and name HB )) ( segid " " and resid 75 and name HD1%) ASSI { 1398} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 60 and name HG12)) 2.700 0.900 0.900 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.14750E-02 ppm1 0.804 ppm2 1.150 CV 1 OR { 1398} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 48 and name HG2%) OR { 1398} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 10 and name HD2%) ASSI { 1399} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD1%) 2.300 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.63862E-02 ppm1 0.807 ppm2 1.066 CV 1 OR { 1399} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 1399} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 1400} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.100 2.100 3.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.57914E-02 ppm1 0.806 ppm2 1.002 CV 1 OR { 1400} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 60 and name HG2%) OR { 1400} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HG )) OR { 1400} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 82 and name HD2%) OR { 1400} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 1405} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HD1%) 2.400 0.700 0.700 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.28586E-02 ppm1 1.284 ppm2 0.869 CV 1 OR { 1405} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HG2%) OR { 1405} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 52 and name HD1%) ASSI { 1418} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) 2.400 0.700 0.700 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.10310E-01 ppm1 4.294 ppm2 0.987 CV 1 OR { 1418} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 1418} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) OR { 1418} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG )) OR { 1418} (( segid " " and resid 74 and name HA )) ( segid " " and resid 64 and name HG1%) ASSI { 1421} (( segid " " and resid 77 and name HG )) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.14553E-02 ppm1 1.823 ppm2 1.128 CV 1 OR { 1421} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 48 and name HG2%) ASSI { 1422} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 3.800 1.800 1.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.21623E-02 ppm1 4.317 ppm2 0.861 CV 1 OR { 1422} (( segid " " and resid 52 and name HA )) ( segid " " and resid 78 and name HG2%) OR { 1422} (( segid " " and resid 74 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 1433} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 2.300 0.600 0.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.88339E-02 ppm1 4.289 ppm2 1.921 CV 1 OR { 1433} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) ASSI { 1434} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.300 0.600 0.600 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.80420E-02 ppm1 4.284 ppm2 1.838 CV 1 OR { 1434} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 1435} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.600 0.800 0.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.70960E-02 ppm1 4.289 ppm2 2.037 CV 1 OR { 1435} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 1441} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.600 1.600 1.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.14190E-02 ppm1 4.278 ppm2 2.206 CV 1 OR { 1441} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HB2 )) OR { 1441} (( segid " " and resid 77 and name HA )) (( segid " " and resid 64 and name HB )) ASSI { 1451} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.32084E-02 ppm1 4.309 ppm2 2.440 CV 1 OR { 1451} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB1 )) ASSI { 1464} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.37765E-02 ppm1 1.929 ppm2 4.288 CV 1 OR { 1464} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 1467} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 61 and name HD1 )) 3.200 1.300 1.300 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.19988E-02 ppm1 0.968 ppm2 4.032 CV 1 OR { 1467} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 61 and name HD1 )) OR { 1467} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 80 and name HA2 )) ASSI { 1472} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.32218E-02 ppm1 1.840 ppm2 7.731 CV 1 OR { 1472} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 1524} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 31 and name HD1%) 3.600 1.600 1.600 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.67406E-03 ppm1 1.570 ppm2 0.473 CV 1 OR { 1524} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 31 and name HD1%) ASSI { 1532} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 5 and name HD1%) 3.000 1.100 1.100 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.17502E-02 ppm1 0.872 ppm2 0.600 CV 1 OR { 1532} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 5 and name HD1%) ASSI { 1536} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 75 and name HD1%) 2.400 0.700 0.700 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.28861E-02 ppm1 1.568 ppm2 0.812 CV 1 OR { 1536} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD1%) ASSI { 1542} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 10 and name HD2%) 2.800 1.000 1.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.46543E-02 ppm1 0.804 ppm2 1.146 CV 1 OR { 1542} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD2%) ASSI { 1543} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB2 )) 3.100 1.200 1.200 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 0.805 ppm2 1.079 CV 1 OR { 1543} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 1544} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 10 and name HD2%) 2.300 0.700 0.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.79303E-02 ppm1 0.870 ppm2 1.141 CV 1 OR { 1544} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 48 and name HG2%) ASSI { 1545} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.100 0.600 0.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.10953E-01 ppm1 0.866 ppm2 1.062 CV 1 OR { 1545} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 10 and name HD1%) OR { 1545} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 1546} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.700 2.700 3.300 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.11672E-01 ppm1 0.874 ppm2 0.987 CV 1 OR { 1546} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 74 and name HG )) OR { 1546} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 82 and name HD1%) OR { 1546} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 82 and name HD2%) OR { 1546} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 82 and name HD1%) OR { 1546} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 4 and name HD2%) OR { 1546} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HG2 )) OR { 1546} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 1548} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD1%) 3.000 1.200 1.200 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 3.901 ppm2 1.057 CV 1 OR { 1548} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 1548} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1551} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.48725E-02 ppm1 0.805 ppm2 1.385 CV 1 OR { 1551} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) ASSI { 1553} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.29398E-02 ppm1 0.878 ppm2 1.396 CV 1 OR { 1553} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 5 and name HB2 )) OR { 1553} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HG1 )) ASSI { 1555} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 1.700 0.300 0.500 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.10931E-01 ppm1 2.192 ppm2 1.565 CV 1 OR { 1555} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1556} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.000 0.500 0.500 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.90400E-02 ppm1 0.804 ppm2 1.572 CV 1 OR { 1556} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB1 )) OR { 1556} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 1556} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 1557} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.94309E-02 ppm1 0.880 ppm2 1.563 CV 1 OR { 1557} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HB2 )) OR { 1557} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HB1 )) OR { 1557} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 1557} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 1561} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 1.900 0.400 0.400 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.24187E-01 ppm1 0.880 ppm2 1.698 CV 1 OR { 1561} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 1563} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG )) 3.000 1.100 1.100 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.31889E-02 ppm1 1.564 ppm2 1.694 CV 1 OR { 1563} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 75 and name HG )) OR { 1563} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 13 and name HB% ) ASSI { 1564} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 2.900 1.000 1.000 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.20082E-02 ppm1 3.903 ppm2 1.946 CV 1 OR { 1564} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 1565} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 78 and name HB )) 3.200 1.300 1.300 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.78439E-03 ppm1 0.805 ppm2 1.924 CV 1 OR { 1565} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) ASSI { 1585} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HB2 )) 4.300 2.300 1.700 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.76076E-03 ppm1 0.883 ppm2 2.775 CV 1 OR { 1585} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HG1 )) OR { 1585} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HB1 )) ASSI { 1590} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HB1 )) 4.700 2.800 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.56373E-03 ppm1 0.883 ppm2 3.083 CV 1 OR { 1590} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HD1 )) ASSI { 1605} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 2.100 0.600 0.600 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.85466E-02 ppm1 0.804 ppm2 3.895 CV 1 OR { 1605} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 1607} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.39132E-02 ppm1 0.880 ppm2 3.895 CV 1 OR { 1607} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HA )) OR { 1607} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 1612} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HA )) 4.100 2.100 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.67298E-03 ppm1 0.804 ppm2 4.229 CV 1 OR { 1612} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 1647} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.68377E-03 ppm1 0.804 ppm2 8.856 CV 1 OR { 1647} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 7 and name HN )) OR { 1647} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HN )) ASSI { 1652} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 1.576 ppm2 8.848 CV 1 OR { 1652} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 1713} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.400 0.700 0.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.36230E-02 ppm1 4.320 ppm2 2.226 CV 1 OR { 1713} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 1719} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.200 0.600 0.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.63798E-02 ppm1 4.308 ppm2 1.696 CV 1 OR { 1719} (( segid " " and resid 52 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 1757} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.300 1.300 1.300 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 4.218 ppm2 7.827 CV 1 OR { 1757} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1767} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.37400E-02 ppm1 2.632 ppm2 4.223 CV 1 OR { 1767} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) ASSI { 1782} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.51427E-02 ppm1 4.259 ppm2 2.754 CV 1 OR { 1782} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 1788} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.600 0.900 0.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.76248E-02 ppm1 4.248 ppm2 2.484 CV 1 OR { 1788} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 1807} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.42990E-02 ppm1 2.276 ppm2 4.400 CV 1 OR { 1807} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 1820} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 3.500 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 3.622 ppm2 0.797 CV 1 OR { 1820} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 1824} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 3.621 ppm2 1.047 CV 1 OR { 1824} (( segid " " and resid 72 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 1824} (( segid " " and resid 72 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 1824} (( segid " " and resid 72 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1826} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.800 1.000 1.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.52073E-02 ppm1 3.621 ppm2 1.543 CV 1 OR { 1826} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 1832} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.600 0.300 0.600 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.14356E-01 ppm1 1.893 ppm2 1.601 CV 1 OR { 1832} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1837} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 38 and name HG2%) 2.500 0.800 0.800 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.34036E-02 ppm1 1.537 ppm2 1.061 CV 1 OR { 1837} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 74 and name HD1%) ASSI { 1868} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 2.900 1.100 1.100 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 1.545 ppm2 3.030 CV 1 OR { 1868} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 40 and name HB1 )) ASSI { 1871} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) 2.900 1.000 1.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.13567E-02 ppm1 1.892 ppm2 3.015 CV 1 OR { 1871} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) ASSI { 1872} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 3.500 1.500 1.500 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 1.602 ppm2 3.017 CV 1 OR { 1872} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) ASSI { 1895} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.49910E-02 ppm1 1.895 ppm2 4.104 CV 1 OR { 1895} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 57 and name HA2 )) ASSI { 1948} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG2 )) 3.300 1.300 1.300 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.14031E-02 ppm1 1.075 ppm2 1.634 CV 1 OR { 1948} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HB2 )) ASSI { 1956} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.43579E-02 ppm1 1.076 ppm2 2.868 CV 1 OR { 1956} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD2 )) ASSI { 1969} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HN )) 3.400 1.400 1.400 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.19277E-02 ppm1 1.076 ppm2 8.449 CV 1 OR { 1969} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) ASSI { 2049} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HN )) 3.800 1.800 1.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.70090E-03 ppm1 2.079 ppm2 7.464 CV 1 OR { 2049} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HN )) ASSI { 2050} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) 3.800 1.800 1.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.89337E-03 ppm1 1.874 ppm2 7.459 CV 1 OR { 2050} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 64 and name HN )) ASSI { 2089} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB2 )) 2.000 0.500 0.500 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.20413E-01 ppm1 1.757 ppm2 1.875 CV 1 OR { 2089} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HB1 )) OR { 2089} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB2 )) ASSI { 2091} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.54161E-02 ppm1 3.301 ppm2 1.734 CV 1 OR { 2091} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG1 )) OR { 2091} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG2 )) OR { 2091} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG1 )) OR { 2091} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG2 )) ASSI { 2107} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 68 and name HN )) 4.400 2.500 1.600 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.59626E-03 ppm1 4.128 ppm2 7.453 CV 1 OR { 2107} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 64 and name HN )) ASSI { 2108} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 68 and name HN )) 3.800 1.800 1.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.59256E-03 ppm1 3.930 ppm2 7.462 CV 1 OR { 2108} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 64 and name HN )) ASSI { 2145} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.71695E-03 ppm1 1.418 ppm2 7.450 CV 1 OR { 2145} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 68 and name HN )) ASSI { 2146} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.53605E-03 ppm1 4.039 ppm2 7.464 CV 1 OR { 2146} (( segid " " and resid 65 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 2168} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HB1 )) 5.000 3.100 1.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.26210E-03 ppm1 4.031 ppm2 2.051 CV 1 OR { 2168} (( segid " " and resid 65 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 2171} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 60 and name HB )) 3.400 1.400 1.400 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.68474E-03 ppm1 1.422 ppm2 1.834 CV 1 OR { 2171} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 77 and name HG )) ASSI { 2175} (( segid " " and resid 65 and name HA )) ( segid " " and resid 49 and name HB% ) 4.500 2.500 1.500 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.30419E-03 ppm1 4.035 ppm2 1.543 CV 1 OR { 2175} (( segid " " and resid 65 and name HA )) (( segid " " and resid 60 and name HG11)) ASSI { 2182} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 2.800 1.000 1.000 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.46116E-02 ppm1 4.039 ppm2 0.988 CV 1 OR { 2182} (( segid " " and resid 65 and name HA )) (( segid " " and resid 74 and name HG )) OR { 2182} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 2183} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.800 1.000 1.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.45797E-02 ppm1 1.417 ppm2 1.006 CV 1 OR { 2183} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG1%) OR { 2183} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 74 and name HG )) OR { 2183} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG2%) ASSI { 2204} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) 3.200 1.300 1.300 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 3.883 ppm2 2.085 CV 1 OR { 2204} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 2236} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.31636E-02 ppm1 3.882 ppm2 7.450 CV 1 OR { 2236} (( segid " " and resid 64 and name HA )) (( segid " " and resid 68 and name HN )) ASSI { 2257} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.21879E-02 ppm1 1.046 ppm2 8.476 CV 1 OR { 2257} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 26 and name HN )) ASSI { 2313} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.800 0.900 0.900 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.36879E-02 ppm1 4.477 ppm2 8.504 CV 1 OR { 2313} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 2316} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.53668E-02 ppm1 2.840 ppm2 8.496 CV 1 OR { 2316} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) OR { 2316} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) OR { 2316} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 2317} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.50202E-03 ppm1 2.766 ppm2 8.500 CV 1 OR { 2317} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 23 and name HN )) OR { 2317} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 22 and name HN )) ASSI { 2351} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HN )) 4.100 2.100 1.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.25343E-03 ppm1 3.587 ppm2 8.305 CV 1 OR { 2351} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 78 and name HN )) ASSI { 2412} (( segid " " and resid 61 and name HA )) ( segid " " and resid 64 and name HG2%) 4.500 2.500 1.500 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 4.546 ppm2 1.034 CV 1 OR { 2412} (( segid " " and resid 61 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 2414} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) 2.800 1.000 1.000 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 2.142 ppm2 1.024 CV 1 OR { 2414} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) OR { 2414} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) OR { 2414} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) OR { 2414} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 60 and name HG2%) OR { 2414} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 60 and name HG2%) ASSI { 2416} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) 3.200 1.300 1.300 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.45676E-02 ppm1 4.027 ppm2 1.020 CV 1 OR { 2416} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG2%) ASSI { 2478} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) 3.300 1.300 1.300 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.14176E-02 ppm1 1.525 ppm2 4.633 CV 1 OR { 2478} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) ASSI { 2494} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HN )) 4.100 2.100 1.900 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.80194E-03 ppm1 1.134 ppm2 8.308 CV 1 OR { 2494} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 78 and name HN )) ASSI { 2502} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HN )) 3.800 1.800 1.800 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.91447E-03 ppm1 0.932 ppm2 8.279 CV 1 OR { 2502} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HN )) ASSI { 2537} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 82 and name HA )) 3.600 1.600 1.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 0.982 ppm2 4.233 CV 1 OR { 2537} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 86 and name HA )) ASSI { 2539} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HA )) 3.600 1.700 1.700 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.88816E-03 ppm1 0.931 ppm2 4.239 CV 1 OR { 2539} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 86 and name HA )) ASSI { 2542} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.43074E-02 ppm1 0.932 ppm2 4.115 CV 1 OR { 2542} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA1 )) ASSI { 2545} (( segid " " and resid 58 and name HB )) (( segid " " and resid 78 and name HA )) 4.600 2.700 1.400 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.33527E-03 ppm1 2.138 ppm2 3.770 CV 1 OR { 2545} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HB2 )) ASSI { 2546} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.69129E-03 ppm1 0.983 ppm2 3.757 CV 1 OR { 2546} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 2547} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.13896E-02 ppm1 0.931 ppm2 3.752 CV 1 OR { 2547} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HB2 )) ASSI { 2566} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.63760E-02 ppm1 4.676 ppm2 0.979 CV 1 OR { 2566} (( segid " " and resid 58 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 2578} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) 3.600 1.700 1.700 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.84521E-03 ppm1 4.101 ppm2 4.694 CV 1 OR { 2578} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) OR { 2578} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) OR { 2578} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) OR { 2578} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HA )) OR { 2578} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HA )) ASSI { 2637} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) 2.800 1.000 1.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.18421E-02 ppm1 1.374 ppm2 3.013 CV 1 OR { 2637} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB1 )) ASSI { 2641} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.34362E-02 ppm1 1.373 ppm2 1.892 CV 1 OR { 2641} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 14 and name HG )) ASSI { 2645} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) 2.100 0.500 0.500 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.10135E-01 ppm1 1.387 ppm2 1.586 CV 1 OR { 2645} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) OR { 2645} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) ASSI { 2670} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 2.100 0.500 0.500 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.22363E-01 ppm1 4.386 ppm2 4.117 CV 1 OR { 2670} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 2670} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA1 )) OR { 2670} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 2708} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 49 and name HB% ) 3.900 1.900 1.900 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.53403E-03 ppm1 2.758 ppm2 1.535 CV 1 OR { 2708} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 60 and name HG11)) ASSI { 2710} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HG11)) 2.900 1.100 1.100 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.55460E-03 ppm1 2.325 ppm2 1.520 CV 1 OR { 2710} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 49 and name HB% ) ASSI { 2722} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.800 0.400 0.400 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.11886E-01 ppm1 2.361 ppm2 2.472 CV 1 OR { 2722} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 2728} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.31265E-02 ppm1 2.482 ppm2 4.118 CV 1 OR { 2728} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 2728} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB1 )) ASSI { 2729} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 17 and name HB1 )) 2.800 1.000 1.000 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.24394E-02 ppm1 2.370 ppm2 4.119 CV 1 OR { 2729} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) OR { 2729} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) OR { 2729} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB1 )) ASSI { 2731} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.25654E-02 ppm1 2.757 ppm2 4.118 CV 1 OR { 2731} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HB2 )) ASSI { 2783} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 49 and name HA )) 4.100 2.100 1.900 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.87319E-03 ppm1 1.044 ppm2 3.944 CV 1 OR { 2783} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 49 and name HA )) OR { 2783} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 48 and name HA )) ASSI { 2798} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 1.045 ppm2 7.720 CV 1 OR { 2798} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) ASSI { 2848} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.64668E-03 ppm1 1.661 ppm2 8.467 CV 1 OR { 2848} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 15 and name HN )) ASSI { 2864} (( segid " " and resid 48 and name HA )) ( segid " " and resid 14 and name HD2%) 5.200 3.400 0.800 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.23845E-03 ppm1 3.960 ppm2 0.877 CV 1 OR { 2864} (( segid " " and resid 48 and name HA )) ( segid " " and resid 52 and name HD1%) OR { 2864} (( segid " " and resid 48 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2868} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HB1 )) 4.200 2.200 1.800 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.36102E-03 ppm1 3.965 ppm2 2.350 CV 1 OR { 2868} (( segid " " and resid 48 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 2890} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 43 and name HD2%) 3.400 1.400 1.400 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.51266E-03 ppm1 2.601 ppm2 1.075 CV 1 OR { 2890} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 10 and name HD1%) OR { 2890} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 74 and name HD1%) OR { 2890} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 2891} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD2%) 3.300 1.400 1.400 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.53497E-03 ppm1 2.473 ppm2 1.068 CV 1 OR { 2891} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 10 and name HD1%) OR { 2891} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 74 and name HD1%) ASSI { 2895} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.500 0.800 0.800 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.59674E-02 ppm1 4.238 ppm2 1.663 CV 1 OR { 2895} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 2903} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.55782E-02 ppm1 4.240 ppm2 2.347 CV 1 OR { 2903} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 2904} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.10227E-01 ppm1 4.244 ppm2 2.210 CV 1 OR { 2904} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2947} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.33800E-02 ppm1 2.848 ppm2 4.270 CV 1 OR { 2947} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) ASSI { 2948} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.27778E-02 ppm1 2.755 ppm2 4.266 CV 1 OR { 2948} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) OR { 2948} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HA )) ASSI { 2953} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.700 0.900 0.900 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.42688E-02 ppm1 4.265 ppm2 1.546 CV 1 OR { 2953} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HG2 )) OR { 2953} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2957} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 49 and name HB% ) 4.300 2.300 1.700 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.43542E-03 ppm1 2.331 ppm2 1.542 CV 1 OR { 2957} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 49 and name HB% ) OR { 2957} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 44 and name HB% ) ASSI { 2959} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 44 and name HB% ) 4.300 2.300 1.700 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.47851E-03 ppm1 2.853 ppm2 1.556 CV 1 OR { 2959} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 49 and name HB% ) ASSI { 2960} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 44 and name HB% ) 4.400 2.500 1.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.47385E-03 ppm1 2.758 ppm2 1.556 CV 1 OR { 2960} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 49 and name HB% ) ASSI { 2981} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 42 and name H32A)) 4.700 2.800 1.300 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.17602E-03 ppm1 2.761 ppm2 4.137 CV 1 OR { 2981} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 17 and name HB1 )) ASSI { 2989} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.600 0.800 0.800 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.43966E-02 ppm1 4.264 ppm2 8.240 CV 1 OR { 2989} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) OR { 2989} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 3001} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 3.300 1.400 1.400 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 3.921 ppm2 1.389 CV 1 OR { 3001} (( segid " " and resid 75 and name HA )) (( segid " " and resid 5 and name HB2 )) ASSI { 3019} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HG )) 3.300 1.300 1.300 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.20300E-02 ppm1 0.238 ppm2 0.982 CV 1 OR { 3019} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H30%) OR { 3019} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 64 and name HG1%) ASSI { 3020} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HG )) 2.900 1.000 1.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.20842E-02 ppm1 0.374 ppm2 0.984 CV 1 OR { 3020} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 42 and name H30%) ASSI { 3024} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD2%) 3.600 1.600 1.600 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.12502E-02 ppm1 0.238 ppm2 1.069 CV 1 OR { 3024} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H31%) OR { 3024} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 3028} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.80194E-02 ppm1 3.915 ppm2 1.567 CV 1 OR { 3028} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 3028} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 3028} (( segid " " and resid 75 and name HA )) (( segid " " and resid 10 and name HB2 )) OR { 3028} (( segid " " and resid 75 and name HA )) (( segid " " and resid 5 and name HB1 )) ASSI { 3048} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.000 3.000 3.000 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.96762E-03 ppm1 0.238 ppm2 2.812 CV 1 OR { 3048} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 62 and name HB1 )) OR { 3048} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 63 and name HB1 )) ASSI { 3068} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.62778E-03 ppm1 0.238 ppm2 4.037 CV 1 OR { 3068} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 17 and name HB2 )) ASSI { 3069} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.33291E-02 ppm1 0.239 ppm2 3.922 CV 1 OR { 3069} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 66 and name HA2 )) ASSI { 3079} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) 3.800 1.800 1.800 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.78653E-03 ppm1 0.237 ppm2 4.398 CV 1 OR { 3079} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 14 and name HA )) ASSI { 3080} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HA )) 3.600 1.700 1.700 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.86277E-03 ppm1 0.239 ppm2 4.257 CV 1 OR { 3080} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) ASSI { 3081} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HA )) 4.000 2.000 2.000 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.87254E-03 ppm1 0.374 ppm2 4.392 CV 1 OR { 3081} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 3082} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.22986E-02 ppm1 0.374 ppm2 4.257 CV 1 OR { 3082} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 71 and name HA )) OR { 3082} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HA )) ASSI { 3083} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.900 1.000 1.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 3.923 ppm2 4.425 CV 1 OR { 3083} (( segid " " and resid 45 and name HA )) (( segid " " and resid 14 and name HA )) ASSI { 3094} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.16660E-02 ppm1 0.238 ppm2 6.967 CV 1 OR { 3094} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 3101} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HN )) 5.000 3.100 1.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.40659E-03 ppm1 0.372 ppm2 7.466 CV 1 OR { 3101} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 70 and name HN )) ASSI { 3120} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HN )) 4.500 2.600 1.500 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.94303E-03 ppm1 0.237 ppm2 8.466 CV 1 OR { 3120} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 47 and name HN )) ASSI { 3121} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 0.372 ppm2 8.461 CV 1 OR { 3121} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 47 and name HN )) ASSI { 3130} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB2 )) 3.600 1.700 1.700 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 1.542 ppm2 2.819 CV 1 OR { 3130} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HG1 )) ASSI { 3134} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) 2.300 0.700 0.700 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.61081E-02 ppm1 4.370 ppm2 0.993 CV 1 OR { 3134} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) ASSI { 3136} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 3.400 1.400 1.400 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 4.329 ppm2 1.075 CV 1 OR { 3136} (( segid " " and resid 33 and name HA )) ( segid " " and resid 70 and name HG2%) OR { 3136} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 3162} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 4.331 ppm2 8.483 CV 1 OR { 3162} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 3169} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 43 and name HN )) 3.800 1.800 1.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.12240E-02 ppm1 1.540 ppm2 7.828 CV 1 OR { 3169} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 3237} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 47 and name HB1 )) 5.900 4.300 0.100 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.15800E-03 ppm1 1.902 ppm2 2.341 CV 1 OR { 3237} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 46 and name HB2 )) OR { 3237} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 46 and name HB1 )) ASSI { 3238} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 5.600 4.000 0.400 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.29321E-03 ppm1 1.837 ppm2 2.339 CV 1 OR { 3238} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 47 and name HB1 )) OR { 3238} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 46 and name HB1 )) ASSI { 3266} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.16913E-02 ppm1 4.258 ppm2 8.466 CV 1 OR { 3266} (( segid " " and resid 42 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.78906E-03 ppm1 6.763 ppm2 8.474 CV 1 OR { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) OR { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HN )) OR { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HN )) OR { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HN )) OR { 3336} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HN )) ASSI { 3353} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HA )) 4.400 2.400 1.600 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.52246E-03 ppm1 6.759 ppm2 4.594 CV 1 OR { 3353} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 17 and name HA )) ASSI { 3355} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.14714E-02 ppm1 6.765 ppm2 4.392 CV 1 OR { 3355} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) OR { 3355} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) OR { 3355} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) ASSI { 3362} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HA )) 3.300 1.300 1.300 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.16337E-02 ppm1 6.765 ppm2 3.924 CV 1 OR { 3362} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HA )) ASSI { 3366} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) 2.500 0.800 0.800 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.40825E-02 ppm1 6.763 ppm2 1.545 CV 1 OR { 3366} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) ASSI { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 3.500 1.500 1.500 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.60287E-03 ppm1 6.767 ppm2 1.088 CV 1 OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 43 and name HD2%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 43 and name HD2%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD2%) OR { 3369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD2%) ASSI { 3371} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) 3.000 1.100 1.100 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.24713E-02 ppm1 6.763 ppm2 0.893 CV 1 OR { 3371} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) ASSI { 3390} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 38 and name HA )) 4.600 2.600 1.400 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.28093E-03 ppm1 4.269 ppm2 4.627 CV 1 OR { 3390} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HA )) ASSI { 3407} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.48279E-03 ppm1 0.888 ppm2 8.455 CV 1 OR { 3407} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HN )) OR { 3407} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 15 and name HN )) ASSI { 3408} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HN )) 4.800 2.800 1.200 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.36727E-03 ppm1 0.854 ppm2 8.464 CV 1 OR { 3408} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 59 and name HN )) ASSI { 3417} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 2.452 ppm2 7.732 CV 1 OR { 3417} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 3418} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.30698E-02 ppm1 1.547 ppm2 7.730 CV 1 OR { 3418} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 3419} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.300 2.300 1.700 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.17261E-02 ppm1 0.891 ppm2 7.732 CV 1 OR { 3419} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 3437} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.87941E-03 ppm1 1.835 ppm2 4.638 CV 1 OR { 3437} (( segid " " and resid 77 and name HG )) (( segid " " and resid 60 and name HA )) ASSI { 3438} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.21572E-02 ppm1 1.843 ppm2 4.385 CV 1 OR { 3438} (( segid " " and resid 82 and name HG )) (( segid " " and resid 4 and name HA )) ASSI { 3445} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HA )) 4.300 2.400 1.700 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.44898E-03 ppm1 0.892 ppm2 4.739 CV 1 OR { 3445} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HA )) ASSI { 3454} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HA )) 4.200 2.200 1.800 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.59943E-03 ppm1 0.890 ppm2 4.234 CV 1 OR { 3454} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 42 and name HA )) OR { 3454} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 46 and name HA )) ASSI { 3455} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HD1 )) 3.700 1.700 1.700 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.58869E-03 ppm1 0.893 ppm2 4.053 CV 1 OR { 3455} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 17 and name HB2 )) ASSI { 3459} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB1 )) 4.000 2.000 2.000 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.94518E-03 ppm1 0.891 ppm2 3.303 CV 1 OR { 3459} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 31 and name HA )) ASSI { 3463} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.300 1.400 1.400 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.11435E-02 ppm1 0.891 ppm2 3.014 CV 1 OR { 3463} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB2 )) ASSI { 3489} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HG12)) 1.700 0.400 0.500 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.11182E-01 ppm1 1.841 ppm2 1.546 CV 1 OR { 3489} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB2 )) OR { 3489} (( segid " " and resid 82 and name HG )) (( segid " " and resid 5 and name HG )) ASSI { 3497} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.29564E-02 ppm1 1.841 ppm2 1.061 CV 1 OR { 3497} (( segid " " and resid 77 and name HG )) ( segid " " and resid 74 and name HD2%) OR { 3497} (( segid " " and resid 77 and name HG )) ( segid " " and resid 64 and name HG2%) ASSI { 3502} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HD1%) 2.200 0.600 0.600 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.61001E-02 ppm1 1.850 ppm2 0.891 CV 1 OR { 3502} (( segid " " and resid 82 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 3504} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.16627E-02 ppm1 1.568 ppm2 0.802 CV 1 OR { 3504} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HD1%) ASSI { 3516} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.800 1.800 1.800 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.63583E-03 ppm1 3.094 ppm2 1.063 CV 1 OR { 3516} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 3518} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB2 )) 4.500 2.600 1.500 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.69950E-03 ppm1 3.035 ppm2 1.409 CV 1 OR { 3518} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HB2 )) ASSI { 3519} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 4.700 2.800 1.300 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.52055E-03 ppm1 3.088 ppm2 1.868 CV 1 OR { 3519} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 3520} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 4.000 2.000 2.000 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.91791E-03 ppm1 3.004 ppm2 1.861 CV 1 OR { 3520} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HG11)) ASSI { 3528} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 3.087 ppm2 7.732 CV 1 OR { 3528} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 3529} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.12644E-02 ppm1 3.004 ppm2 7.727 CV 1 OR { 3529} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 3537} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HB2 )) 4.500 2.500 1.500 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.78589E-03 ppm1 2.495 ppm2 1.856 CV 1 OR { 3537} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HB2 )) OR { 3537} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HB2 )) OR { 3537} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HB2 )) OR { 3537} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 38 and name HG11)) OR { 3537} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 38 and name HG11)) OR { 3537} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 38 and name HG11)) ASSI { 3561} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) 3.400 1.400 1.400 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 4.371 ppm2 7.724 CV 1 OR { 3561} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 3583} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD2 )) 2.500 0.800 0.800 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.46173E-02 ppm1 1.937 ppm2 3.352 CV 1 OR { 3583} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD2 )) OR { 3583} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD1 )) ASSI { 3598} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 2.500 0.800 0.800 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.50340E-02 ppm1 3.453 ppm2 1.974 CV 1 OR { 3598} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) ASSI { 3606} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.900 1.100 1.100 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.32567E-02 ppm1 3.453 ppm2 2.196 CV 1 OR { 3606} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 3613} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 48 and name HA )) 4.700 2.700 1.300 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.36927E-03 ppm1 3.449 ppm2 3.958 CV 1 OR { 3613} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 49 and name HA )) ASSI { 3619} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.66772E-03 ppm1 3.454 ppm2 4.397 CV 1 OR { 3619} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 36 and name HA )) OR { 3619} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HA )) ASSI { 3620} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.70181E-03 ppm1 3.309 ppm2 4.396 CV 1 OR { 3620} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 13 and name HA )) ASSI { 3638} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.69967E-03 ppm1 2.199 ppm2 7.567 CV 1 OR { 3638} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HE )) ASSI { 3644} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HE )) 3.400 1.500 1.500 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 1.933 ppm2 7.998 CV 1 OR { 3644} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HN )) ASSI { 3646} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HN )) 4.900 3.000 1.100 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.37770E-03 ppm1 3.457 ppm2 8.158 CV 1 OR { 3646} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 55 and name HN )) ASSI { 3648} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.100 1.200 1.200 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.18127E-02 ppm1 3.361 ppm2 8.001 CV 1 OR { 3648} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) ASSI { 3652} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 52 and name HN )) 4.400 2.500 1.600 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.72672E-03 ppm1 3.454 ppm2 8.456 CV 1 OR { 3652} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) ASSI { 3669} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HG2%) 2.400 0.700 0.700 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.65972E-02 ppm1 1.791 ppm2 1.066 CV 1 OR { 3669} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 3690} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) 4.200 2.200 1.800 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.98733E-03 ppm1 1.423 ppm2 2.713 CV 1 OR { 3690} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) OR { 3690} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) ASSI { 3755} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.600 0.900 0.900 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.44940E-02 ppm1 3.041 ppm2 4.554 CV 1 OR { 3755} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 3768} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.46315E-02 ppm1 3.044 ppm2 8.069 CV 1 OR { 3768} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 3794} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) 4.400 2.500 1.600 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.63250E-03 ppm1 0.472 ppm2 8.066 CV 1 OR { 3794} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HN )) ASSI { 3797} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.70299E-03 ppm1 3.319 ppm2 7.219 CV 1 OR { 3797} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) ASSI { 3799} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HE% ) 4.700 2.700 1.300 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.31521E-03 ppm1 0.791 ppm2 7.216 CV 1 OR { 3799} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 33 and name HN )) ASSI { 3802} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.100 1.200 1.200 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 0.471 ppm2 7.224 CV 1 OR { 3802} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 3811} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HB )) 4.500 2.600 1.500 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.55691E-03 ppm1 0.471 ppm2 4.320 CV 1 OR { 3811} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 3812} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HA )) 4.600 2.600 1.400 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.75620E-03 ppm1 0.472 ppm2 4.239 CV 1 OR { 3812} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 3830} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.500 1.500 1.500 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 0.471 ppm2 3.877 CV 1 OR { 3830} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 3850} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.500 0.800 0.800 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.34337E-02 ppm1 0.471 ppm2 1.632 CV 1 OR { 3850} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 3852} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB1 )) 5.000 3.100 1.000 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.57817E-03 ppm1 0.792 ppm2 1.873 CV 1 OR { 3852} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) ASSI { 3853} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.600 0.900 0.900 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.49021E-02 ppm1 0.792 ppm2 1.636 CV 1 OR { 3853} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 3854} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.28542E-02 ppm1 1.215 ppm2 1.643 CV 1 OR { 3854} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 3864} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 3.200 3.200 2.800 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.83883E-03 ppm1 1.055 ppm2 1.186 CV 1 OR { 3864} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 68 and name HG2%) ASSI { 3874} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.39295E-02 ppm1 0.471 ppm2 1.048 CV 1 OR { 3874} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 3881} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 75 and name HD2%) 2.900 1.000 1.000 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.39531E-02 ppm1 0.471 ppm2 0.893 CV 1 OR { 3881} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 14 and name HD2%) ASSI { 3934} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD% ) 4.000 2.000 2.000 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 4.315 ppm2 7.337 CV 1 OR { 3934} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HE )) OR { 3934} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HZ )) ASSI { 3952} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.90577E-03 ppm1 0.807 ppm2 8.485 CV 1 OR { 3952} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) ASSI { 3954} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 0.698 ppm2 8.483 CV 1 OR { 3954} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 15 and name HN )) ASSI { 3957} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.43506E-03 ppm1 0.700 ppm2 8.252 CV 1 OR { 3957} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 19 and name HN )) ASSI { 3959} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.000 2.000 2.000 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.70933E-03 ppm1 0.700 ppm2 7.217 CV 1 OR { 3959} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 3962} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HE% ) 4.600 2.600 1.400 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.34094E-03 ppm1 0.806 ppm2 7.219 CV 1 OR { 3962} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 33 and name HN )) ASSI { 3974} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HA )) 4.600 2.700 1.400 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.51736E-03 ppm1 0.699 ppm2 4.745 CV 1 OR { 3974} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) ASSI { 3980} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 0.805 ppm2 4.382 CV 1 OR { 3980} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 3988} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.97240E-02 ppm1 0.700 ppm2 4.376 CV 1 OR { 3988} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 3988} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 35 and name HA )) ASSI { 4024} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.000 1.100 1.100 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.29530E-02 ppm1 0.699 ppm2 1.445 CV 1 OR { 4024} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 4060} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.800 1.800 1.800 peak 4060 spectrum 1 weight 0.10000E+01 volume 0.10024E-02 ppm1 1.264 ppm2 8.497 CV 1 OR { 4060} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HN )) ASSI { 4084} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HA )) 4.300 2.300 1.700 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.53882E-03 ppm1 4.081 ppm2 4.732 CV 1 OR { 4084} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HA )) OR { 4084} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 25 and name HA )) OR { 4084} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 25 and name HA )) ASSI { 4092} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB1 )) 4.000 2.000 2.000 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.51413E-03 ppm1 4.092 ppm2 2.850 CV 1 OR { 4092} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB1 )) OR { 4092} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB2 )) OR { 4092} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB2 )) OR { 4092} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 22 and name HB1 )) ASSI { 4109} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) 2.300 0.700 0.700 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.11346E-01 ppm1 4.084 ppm2 8.498 CV 1 OR { 4109} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) OR { 4109} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HN )) OR { 4109} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 20 and name HN )) ASSI { 4142} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.200 1.300 1.300 peak 4142 spectrum 1 weight 0.10000E+01 volume 0.31476E-02 ppm1 4.382 ppm2 8.495 CV 1 OR { 4142} (( segid " " and resid 21 and name HB )) (( segid " " and resid 23 and name HN )) ASSI { 4158} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) 2.300 0.700 0.700 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.11448E-01 ppm1 2.258 ppm2 2.413 CV 1 OR { 4158} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) OR { 4158} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) ASSI { 4183} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.900 1.000 1.000 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.30875E-02 ppm1 4.376 ppm2 7.837 CV 1 OR { 4183} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 4184} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.74294E-02 ppm1 1.547 ppm2 7.836 CV 1 OR { 4184} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 4185} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HA )) 4.100 2.100 1.900 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.86594E-03 ppm1 1.550 ppm2 4.574 CV 1 OR { 4185} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 40 and name HA )) ASSI { 4189} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA1 )) 3.800 1.800 1.800 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 1.548 ppm2 4.080 CV 1 OR { 4189} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA2 )) OR { 4189} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB2 )) ASSI { 4202} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.52035E-02 ppm1 4.576 ppm2 7.828 CV 1 OR { 4202} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 4203} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.34789E-02 ppm1 4.146 ppm2 7.827 CV 1 OR { 4203} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 4204} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.900 1.100 1.100 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.29211E-02 ppm1 4.067 ppm2 7.825 CV 1 OR { 4204} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 4232} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 4.200 2.200 1.800 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.84817E-03 ppm1 4.148 ppm2 1.544 CV 1 OR { 4232} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) ASSI { 4233} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) 3.500 1.500 1.500 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.97390E-03 ppm1 4.067 ppm2 1.544 CV 1 OR { 4233} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) ASSI { 4262} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.600 0.900 0.900 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.48808E-02 ppm1 4.213 ppm2 8.244 CV 1 OR { 4262} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 4276} (( segid " " and resid 73 and name HG1 )) ( segid " " and resid 74 and name HD2%) 4.800 2.900 1.200 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.53635E-03 ppm1 2.625 ppm2 1.056 CV 1 OR { 4276} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 15 and name HG1%) OR { 4276} (( segid " " and resid 73 and name HG1 )) ( segid " " and resid 74 and name HD1%) OR { 4276} (( segid " " and resid 73 and name HG1 )) ( segid " " and resid 64 and name HG2%) ASSI { 4283} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.400 1.400 1.400 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 3.951 ppm2 7.836 CV 1 OR { 4283} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 4288} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HA )) 4.200 2.200 1.800 peak 4288 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 1.123 ppm2 4.378 CV 1 OR { 4288} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HA )) OR { 4288} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 13 and name HA )) ASSI { 4299} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB1 )) 3.500 1.500 1.500 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 1.127 ppm2 2.015 CV 1 OR { 4299} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HB2 )) ASSI { 4321} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.400 1.500 1.500 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.71481E-03 ppm1 4.398 ppm2 7.824 CV 1 OR { 4321} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 4336} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HA )) 2.900 1.000 1.000 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.18779E-02 ppm1 1.999 ppm2 4.398 CV 1 OR { 4336} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 48 and name HB )) ASSI { 4337} (( segid " " and resid 10 and name HG )) (( segid " " and resid 10 and name HA )) 3.300 1.300 1.300 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.14034E-02 ppm1 1.893 ppm2 4.221 CV 1 OR { 4337} (( segid " " and resid 10 and name HG )) (( segid " " and resid 71 and name HA )) OR { 4337} (( segid " " and resid 14 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 4338} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.16275E-02 ppm1 0.905 ppm2 4.394 CV 1 OR { 4338} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 13 and name HA )) ASSI { 4339} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 4339 spectrum 1 weight 0.10000E+01 volume 0.89718E-03 ppm1 0.906 ppm2 4.231 CV 1 OR { 4339} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 4340} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.100 0.600 0.600 peak 4340 spectrum 1 weight 0.10000E+01 volume 0.78256E-02 ppm1 0.764 ppm2 4.399 CV 1 OR { 4340} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HB )) ASSI { 4345} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HA )) 4.100 2.100 1.900 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.77435E-03 ppm1 0.763 ppm2 3.943 CV 1 OR { 4345} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HA )) OR { 4345} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HA )) ASSI { 4349} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.600 2.700 1.400 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.38635E-03 ppm1 0.767 ppm2 3.552 CV 1 OR { 4349} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) ASSI { 4367} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HG )) 2.900 1.000 1.000 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.18348E-02 ppm1 1.441 ppm2 1.890 CV 1 OR { 4367} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 10 and name HG )) ASSI { 4370} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HG )) 2.100 0.600 0.600 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.10220E-01 ppm1 0.906 ppm2 1.888 CV 1 OR { 4370} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HG )) ASSI { 4382} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 13 and name HB% ) 4.300 2.300 1.700 peak 4382 spectrum 1 weight 0.10000E+01 volume 0.97299E-03 ppm1 0.764 ppm2 1.675 CV 1 OR { 4382} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 74 and name HB2 )) ASSI { 4383} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 18 and name HB% ) 4.400 2.400 1.600 peak 4383 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 0.761 ppm2 1.560 CV 1 OR { 4383} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 38 and name HG12)) OR { 4383} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 44 and name HB% ) OR { 4383} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 49 and name HB% ) OR { 4383} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HB2 )) OR { 4383} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 10 and name HB2 )) ASSI { 4387} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 2.800 1.000 1.000 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.25965E-02 ppm1 4.397 ppm2 1.133 CV 1 OR { 4387} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 4388} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 15 and name HG2%) 3.900 1.900 1.900 peak 4388 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 1.998 ppm2 1.132 CV 1 OR { 4388} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 48 and name HG2%) ASSI { 4397} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.70090E-03 ppm1 4.406 ppm2 8.410 CV 1 OR { 4397} (( segid " " and resid 13 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 4418} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.500 0.800 0.800 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.39922E-02 ppm1 1.675 ppm2 2.041 CV 1 OR { 4418} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB2 )) ASSI { 4420} (( segid " " and resid 13 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.800 1.800 1.800 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.90073E-03 ppm1 4.403 ppm2 2.033 CV 1 OR { 4420} (( segid " " and resid 13 and name HA )) (( segid " " and resid 52 and name HG )) OR { 4420} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 4423} (( segid " " and resid 13 and name HA )) ( segid " " and resid 48 and name HG2%) 4.700 2.800 1.300 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.30956E-03 ppm1 4.407 ppm2 1.122 CV 1 OR { 4423} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 4432} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.500 0.800 0.800 peak 4432 spectrum 1 weight 0.10000E+01 volume 0.58445E-02 ppm1 3.369 ppm2 1.935 CV 1 OR { 4432} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 4444} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 3.300 1.300 1.300 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.36352E-02 ppm1 4.042 ppm2 1.699 CV 1 OR { 4444} (( segid " " and resid 12 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 4447} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HG2 )) 1.600 0.300 0.600 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.14933E-01 ppm1 1.929 ppm2 1.697 CV 1 OR { 4447} (( segid " " and resid 12 and name HG1 )) ( segid " " and resid 13 and name HB% ) ASSI { 4457} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB1 )) 2.300 0.700 0.700 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.85740E-02 ppm1 1.932 ppm2 2.033 CV 1 OR { 4457} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB2 )) OR { 4457} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 4499} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.300 0.700 0.700 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.59438E-02 ppm1 2.042 ppm2 7.998 CV 1 OR { 4499} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) OR { 4499} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HN )) OR { 4499} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HN )) ASSI { 4502} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE )) 3.200 1.300 1.300 peak 4502 spectrum 1 weight 0.10000E+01 volume 0.90771E-03 ppm1 1.416 ppm2 7.341 CV 1 OR { 4502} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 30 and name HZ )) OR { 4502} (( segid " " and resid 11 and name HG1 )) ( segid " " and resid 30 and name HD% ) ASSI { 4504} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 30 and name HZ )) 3.700 1.700 1.700 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 1.187 ppm2 7.336 CV 1 OR { 4504} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE )) ASSI { 4506} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) 2.700 0.900 0.900 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.24824E-02 ppm1 2.064 ppm2 7.341 CV 1 OR { 4506} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 4506} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 4506} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) ASSI { 4509} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.000 1.100 1.100 peak 4509 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 3.543 ppm2 7.340 CV 1 OR { 4509} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 4510} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HE )) 2.700 0.900 0.900 peak 4510 spectrum 1 weight 0.10000E+01 volume 0.41621E-02 ppm1 3.236 ppm2 7.340 CV 1 OR { 4510} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 30 and name HZ )) ASSI { 4511} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HE )) 2.800 1.000 1.000 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.31398E-02 ppm1 3.217 ppm2 7.340 CV 1 OR { 4511} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HE )) OR { 4511} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 30 and name HZ )) OR { 4511} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 30 and name HZ )) ASSI { 4563} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.300 1.300 1.300 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 3.542 ppm2 1.895 CV 1 OR { 4563} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) ASSI { 4564} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.500 0.800 0.800 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.33683E-02 ppm1 3.543 ppm2 1.422 CV 1 OR { 4564} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) OR { 4564} (( segid " " and resid 11 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 4565} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 4565 spectrum 1 weight 0.10000E+01 volume 0.32359E-02 ppm1 2.064 ppm2 1.410 CV 1 OR { 4565} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 4565} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 4573} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) 3.900 1.900 1.900 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 3.544 ppm2 0.802 CV 1 OR { 4573} (( segid " " and resid 11 and name HA )) ( segid " " and resid 31 and name HD2%) OR { 4573} (( segid " " and resid 11 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 4585} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 1.048 ppm2 8.073 CV 1 OR { 4585} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 54 and name HN )) ASSI { 4588} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.68914E-03 ppm1 1.136 ppm2 8.846 CV 1 OR { 4588} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HN )) ASSI { 4592} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.23600E-02 ppm1 2.338 ppm2 8.846 CV 1 OR { 4592} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HN )) ASSI { 4603} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HD% ) 4.400 2.400 1.600 peak 4603 spectrum 1 weight 0.10000E+01 volume 0.78385E-03 ppm1 1.051 ppm2 7.341 CV 1 OR { 4603} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 30 and name HZ )) OR { 4603} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 79 and name HD21)) ASSI { 4608} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.400 1.400 1.400 peak 4608 spectrum 1 weight 0.10000E+01 volume 0.18233E-02 ppm1 1.135 ppm2 7.339 CV 1 OR { 4608} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HZ )) OR { 4608} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 79 and name HD21)) ASSI { 4612} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.500 2.500 1.500 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.60539E-03 ppm1 1.136 ppm2 6.892 CV 1 OR { 4612} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 72 and name HH22)) OR { 4612} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 72 and name HH21)) OR { 4612} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 72 and name HH11)) ASSI { 4614} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HB )) 5.100 3.200 0.900 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.30542E-03 ppm1 1.135 ppm2 4.337 CV 1 OR { 4614} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 52 and name HA )) ASSI { 4615} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 1.137 ppm2 4.229 CV 1 OR { 4615} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) ASSI { 4617} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 1.136 ppm2 3.890 CV 1 OR { 4617} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) ASSI { 4619} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.800 1.000 1.000 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 2.339 ppm2 3.879 CV 1 OR { 4619} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 4643} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 1.600 0.300 0.600 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.12939E-01 ppm1 2.338 ppm2 1.576 CV 1 OR { 4643} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 4644} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.100 0.500 0.500 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.74611E-02 ppm1 1.135 ppm2 1.569 CV 1 OR { 4644} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) ASSI { 4645} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 7 and name HG2%) 3.600 1.600 1.600 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 1.137 ppm2 1.400 CV 1 OR { 4645} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 5 and name HB2 )) OR { 4645} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HG1 )) ASSI { 4646} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.300 0.700 0.700 peak 4646 spectrum 1 weight 0.10000E+01 volume 0.68050E-02 ppm1 1.050 ppm2 1.569 CV 1 OR { 4646} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 4646} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 4648} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD1%) 2.400 0.700 0.700 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.49658E-02 ppm1 1.896 ppm2 1.047 CV 1 OR { 4648} (( segid " " and resid 14 and name HG )) ( segid " " and resid 10 and name HD1%) ASSI { 4653} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD2%) 2.800 1.000 1.000 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.30235E-02 ppm1 1.136 ppm2 0.878 CV 1 OR { 4653} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD2%) ASSI { 4658} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.100 0.500 0.500 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.15879E-01 ppm1 1.044 ppm2 0.862 CV 1 OR { 4658} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 52 and name HD1%) OR { 4658} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD2%) OR { 4658} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 4659} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD1%) 2.700 0.900 0.900 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.59519E-02 ppm1 1.045 ppm2 0.807 CV 1 OR { 4659} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HD1%) OR { 4659} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 78 and name HD1%) ASSI { 4661} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD1%) 2.500 0.800 0.800 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.64050E-02 ppm1 1.043 ppm2 0.632 CV 1 OR { 4661} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD2%) OR { 4661} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 5 and name HD1%) ASSI { 4664} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 5 and name HD1%) 3.800 1.800 1.800 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 1.582 ppm2 0.617 CV 1 OR { 4664} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 5 and name HD2%) OR { 4664} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 4665} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD2%) 3.700 1.700 1.700 peak 4665 spectrum 1 weight 0.10000E+01 volume 0.95774E-03 ppm1 2.338 ppm2 0.890 CV 1 OR { 4665} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 14 and name HD2%) OR { 4665} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 52 and name HD1%) ASSI { 4668} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) 3.000 1.200 1.200 peak 4668 spectrum 1 weight 0.10000E+01 volume 0.14448E-02 ppm1 4.220 ppm2 0.859 CV 1 OR { 4668} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 4681} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 3.100 1.200 1.200 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 2.700 ppm2 1.581 CV 1 OR { 4681} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) OR { 4681} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) ASSI { 4682} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) 3.200 1.300 1.300 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.23992E-02 ppm1 3.041 ppm2 1.580 CV 1 OR { 4682} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 4682} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) ASSI { 4697} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 4697 spectrum 1 weight 0.10000E+01 volume 0.53060E-02 ppm1 2.700 ppm2 4.560 CV 1 OR { 4697} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HA )) OR { 4697} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HA )) ASSI { 4702} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.900 1.100 1.100 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 2.703 ppm2 8.070 CV 1 OR { 4702} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 10 and name HN )) OR { 4702} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 4703} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 4703 spectrum 1 weight 0.10000E+01 volume 0.46989E-02 ppm1 2.711 ppm2 7.900 CV 1 OR { 4703} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) OR { 4703} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 4709} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HN )) 4.400 2.500 1.600 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.68651E-03 ppm1 2.713 ppm2 8.849 CV 1 OR { 4709} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 4709} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HN )) OR { 4709} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 7 and name HN )) OR { 4709} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HN )) ASSI { 4718} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.28911E-02 ppm1 3.876 ppm2 8.846 CV 1 OR { 4718} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 4720} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.500 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.20878E-02 ppm1 1.392 ppm2 8.847 CV 1 OR { 4720} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) ASSI { 4729} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HN )) 5.000 3.200 1.000 peak 4729 spectrum 1 weight 0.10000E+01 volume 0.27927E-03 ppm1 1.391 ppm2 8.079 CV 1 OR { 4729} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 32 and name HN )) ASSI { 4737} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HZ )) 2.600 0.900 0.900 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.40845E-02 ppm1 1.392 ppm2 7.340 CV 1 OR { 4737} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HE )) OR { 4737} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HD% ) ASSI { 4738} (( segid " " and resid 7 and name HA )) (( segid " " and resid 30 and name HZ )) 3.800 1.800 1.800 peak 4738 spectrum 1 weight 0.10000E+01 volume 0.77392E-03 ppm1 3.875 ppm2 7.347 CV 1 OR { 4738} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HE )) OR { 4738} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 4771} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 3.300 1.400 1.400 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.13708E-02 ppm1 3.878 ppm2 0.888 CV 1 OR { 4771} (( segid " " and resid 7 and name HA )) ( segid " " and resid 14 and name HD2%) ASSI { 4772} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) 3.100 1.200 1.200 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.27226E-02 ppm1 3.874 ppm2 0.802 CV 1 OR { 4772} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 4775} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD2%) 3.200 1.300 1.300 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.41025E-02 ppm1 1.392 ppm2 0.883 CV 1 OR { 4775} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 14 and name HD2%) ASSI { 4780} (( segid " " and resid 7 and name HA )) (( segid " " and resid 75 and name HG )) 5.200 3.400 0.800 peak 4780 spectrum 1 weight 0.10000E+01 volume 0.34015E-03 ppm1 3.875 ppm2 1.678 CV 1 OR { 4780} (( segid " " and resid 7 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 4781} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.600 1.700 1.700 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.20336E-02 ppm1 3.876 ppm2 1.573 CV 1 OR { 4781} (( segid " " and resid 7 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 4834} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 79 and name HD21)) 3.400 1.400 1.400 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 1.607 ppm2 7.367 CV 1 OR { 4834} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) ASSI { 4853} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 4853 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 0.648 ppm2 4.219 CV 1 OR { 4853} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 3 and name HB )) OR { 4853} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 82 and name HA )) ASSI { 4854} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 4854 spectrum 1 weight 0.10000E+01 volume 0.11778E-02 ppm1 0.612 ppm2 4.218 CV 1 OR { 4854} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 4862} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 56 and name HB2 )) 4.600 2.700 1.400 peak 4862 spectrum 1 weight 0.10000E+01 volume 0.39779E-03 ppm1 0.643 ppm2 2.806 CV 1 OR { 4862} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HB2 )) ASSI { 4863} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 56 and name HB2 )) 4.500 2.500 1.500 peak 4863 spectrum 1 weight 0.10000E+01 volume 0.34162E-03 ppm1 0.624 ppm2 2.810 CV 1 OR { 4863} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 4871} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HB1 )) 5.100 3.200 0.900 peak 4871 spectrum 1 weight 0.10000E+01 volume 0.42126E-03 ppm1 0.609 ppm2 2.330 CV 1 OR { 4871} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 53 and name HG2 )) ASSI { 4873} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 52 and name HG )) 5.100 3.300 0.900 peak 4873 spectrum 1 weight 0.10000E+01 volume 0.35274E-03 ppm1 0.613 ppm2 2.042 CV 1 OR { 4873} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HB1 )) OR { 4873} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 4892} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 10 and name HD2%) 4.400 2.400 1.600 peak 4892 spectrum 1 weight 0.10000E+01 volume 0.88280E-03 ppm1 0.639 ppm2 1.149 CV 1 OR { 4892} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 48 and name HG2%) ASSI { 4893} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 4893 spectrum 1 weight 0.10000E+01 volume 0.62719E-02 ppm1 0.612 ppm2 1.038 CV 1 OR { 4893} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 4894} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD2%) 2.800 1.000 1.000 peak 4894 spectrum 1 weight 0.10000E+01 volume 0.57903E-02 ppm1 0.648 ppm2 1.016 CV 1 OR { 4894} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD1%) OR { 4894} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD2%) ASSI { 4896} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.200 0.600 0.600 peak 4896 spectrum 1 weight 0.10000E+01 volume 0.69499E-02 ppm1 0.611 ppm2 0.878 CV 1 OR { 4896} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD1%) ASSI { 4901} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 75 and name HD2%) 4.000 2.000 2.000 peak 4901 spectrum 1 weight 0.10000E+01 volume 0.86771E-03 ppm1 1.394 ppm2 0.876 CV 1 OR { 4901} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 78 and name HG2%) OR { 4901} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 52 and name HD1%) ASSI { 4907} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) 4.500 2.600 1.500 peak 4907 spectrum 1 weight 0.10000E+01 volume 0.59304E-03 ppm1 0.893 ppm2 8.281 CV 1 OR { 4907} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 5062} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD2%) 3.900 1.900 1.900 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.52791E-03 ppm1 7.351 ppm2 1.133 CV 1 OR { 5062} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 15 and name HG2%) ASSI { 5063} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.700 2.800 1.300 peak 5063 spectrum 1 weight 0.10000E+01 volume 0.25044E-03 ppm1 7.360 ppm2 0.892 CV 1 OR { 5063} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 5078} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 58 and name HG2%) 2.500 0.800 0.800 peak 5078 spectrum 1 weight 0.10000E+01 volume 0.71760E-02 ppm1 1.640 ppm2 0.975 CV 1 OR { 5078} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD2%) OR { 5078} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 77 and name HD1%) OR { 5078} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 5082} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HG )) 2.800 1.000 1.000 peak 5082 spectrum 1 weight 0.10000E+01 volume 0.47825E-02 ppm1 1.184 ppm2 0.983 CV 1 OR { 5082} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) ASSI { 5088} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB2 )) 3.200 1.200 1.200 peak 5088 spectrum 1 weight 0.10000E+01 volume 0.12282E-02 ppm1 1.065 ppm2 3.010 CV 1 OR { 5088} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) ASSI { 5090} ( segid " " and resid 83 and name HB% ) ( segid " " and resid 4 and name HD1%) 2.300 2.300 3.700 peak 5090 spectrum 1 weight 0.10000E+01 volume 0.31888E-02 ppm1 1.616 ppm2 0.891 CV 1 OR { 5090} ( segid " " and resid 83 and name HB% ) ( segid " " and resid 78 and name HG2%) ASSI { 5095} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB2 )) 3.500 1.600 1.600 peak 5095 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 1.071 ppm2 1.923 CV 1 OR { 5095} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HB )) OR { 5095} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HB2 )) OR { 5095} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 5100} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.800 1.000 1.000 peak 5100 spectrum 1 weight 0.10000E+01 volume 0.47041E-02 ppm1 0.699 ppm2 1.059 CV 1 OR { 5100} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 15 and name HG1%) OR { 5100} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 33 and name HD2%) ASSI { 5102} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HD1%) 2.400 0.700 0.700 peak 5102 spectrum 1 weight 0.10000E+01 volume 0.62998E-02 ppm1 0.700 ppm2 0.893 CV 1 OR { 5102} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 14 and name HD2%) ASSI { 5104} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.100 0.600 0.600 peak 5104 spectrum 1 weight 0.10000E+01 volume 0.11070E-01 ppm1 1.053 ppm2 1.895 CV 1 OR { 5104} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HB1 )) ASSI { 5105} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 10 and name HD1%) 3.100 1.200 1.200 peak 5105 spectrum 1 weight 0.10000E+01 volume 0.32947E-02 ppm1 0.762 ppm2 1.028 CV 1 OR { 5105} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 15 and name HG1%) OR { 5105} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 52 and name HD2%) ASSI { 5106} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.300 0.700 0.700 peak 5106 spectrum 1 weight 0.10000E+01 volume 0.71169E-02 ppm1 0.764 ppm2 0.887 CV 1 OR { 5106} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 38 and name HD1%) ASSI { 5142} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 3.600 1.600 1.600 peak 5142 spectrum 1 weight 0.10000E+01 volume 0.19263E-02 ppm1 1.053 ppm2 1.875 CV 1 OR { 5142} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 10 and name HG )) OR { 5142} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 14 and name HG )) ASSI { 5155} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.400 1.400 1.400 peak 5155 spectrum 1 weight 0.10000E+01 volume 0.34857E-02 ppm1 4.557 ppm2 2.037 CV 1 OR { 5155} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 5155} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 5155} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 5158} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.500 0.800 0.800 peak 5158 spectrum 1 weight 0.10000E+01 volume 0.68995E-02 ppm1 4.632 ppm2 2.065 CV 1 OR { 5158} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 5158} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 5160} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.700 0.900 0.900 peak 5160 spectrum 1 weight 0.10000E+01 volume 0.31933E-02 ppm1 4.631 ppm2 1.015 CV 1 OR { 5160} (( segid " " and resid 60 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 5161} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 5161 spectrum 1 weight 0.10000E+01 volume 0.22923E-02 ppm1 3.911 ppm2 1.127 CV 1 OR { 5161} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) ASSI { 5162} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.300 1.400 1.400 peak 5162 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 4.321 ppm2 8.131 CV 1 OR { 5162} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 5171} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.900 0.900 peak 5171 spectrum 1 weight 0.10000E+01 volume 0.48150E-02 ppm1 4.248 ppm2 8.156 CV 1 OR { 5171} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 5177} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 50 and name HB% ) 4.300 2.300 1.700 peak 5177 spectrum 1 weight 0.10000E+01 volume 0.62558E-03 ppm1 2.457 ppm2 1.644 CV 1 OR { 5177} (( segid " " and resid 84 and name HG2 )) ( segid " " and resid 81 and name HB% ) ASSI { 5178} (( segid " " and resid 84 and name HG1 )) ( segid " " and resid 83 and name HB% ) 3.500 1.600 1.600 peak 5178 spectrum 1 weight 0.10000E+01 volume 0.52548E-03 ppm1 2.529 ppm2 1.616 CV 1 OR { 5178} (( segid " " and resid 84 and name HG1 )) ( segid " " and resid 81 and name HB% ) ASSI { 5192} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 38 and name HD1%) 3.900 1.900 1.900 peak 5192 spectrum 1 weight 0.10000E+01 volume 0.42573E-03 ppm1 0.238 ppm2 0.903 CV 1 OR { 5192} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 14 and name HD2%) OR { 5192} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 78 and name HG2%) ASSI { 5193} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 38 and name HD1%) 4.300 2.300 1.700 peak 5193 spectrum 1 weight 0.10000E+01 volume 0.48998E-03 ppm1 0.372 ppm2 0.881 CV 1 OR { 5193} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 14 and name HD2%) ASSI { 5198} (( segid " " and resid 62 and name HA )) ( segid " " and resid 60 and name HG2%) 3.600 1.700 1.700 peak 5198 spectrum 1 weight 0.10000E+01 volume 0.78079E-03 ppm1 4.476 ppm2 1.048 CV 1 OR { 5198} (( segid " " and resid 20 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 5198} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HG2%) OR { 5198} (( segid " " and resid 62 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 5200} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HB1 )) 3.300 1.300 1.300 peak 5200 spectrum 1 weight 0.10000E+01 volume 0.46835E-03 ppm1 1.416 ppm2 2.834 CV 1 OR { 5200} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HG1 )) OR { 5200} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 63 and name HB1 )) ASSI { 5201} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HB2 )) 3.300 3.300 2.700 peak 5201 spectrum 1 weight 0.10000E+01 volume 0.66659E-03 ppm1 1.420 ppm2 2.756 CV 1 OR { 5201} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HG2 )) OR { 5201} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 53 and name HG1 )) OR { 5201} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 63 and name HB2 )) ASSI { 5204} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HB2 )) 3.500 1.500 1.500 peak 5204 spectrum 1 weight 0.10000E+01 volume 0.33877E-03 ppm1 1.418 ppm2 2.343 CV 1 OR { 5204} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HB1 )) OR { 5204} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 53 and name HG2 )) ASSI { 5206} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HN )) 4.000 2.000 2.000 peak 5206 spectrum 1 weight 0.10000E+01 volume 0.23396E-03 ppm1 1.420 ppm2 8.752 CV 1 OR { 5206} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 75 and name HN )) ASSI { 15} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30987E-02 ppm1 8.241 ppm2 7.825 CV 1 OR { 15} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 17} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG2%) 5.600 3.900 0.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.14135E-03 ppm1 8.245 ppm2 1.127 CV 1 OR { 17} (( segid " " and resid 19 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 44} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD2%) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.98937E-03 ppm1 7.358 ppm2 0.877 CV 1 OR { 44} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD1%) ASSI { 73} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG1 )) 3.500 1.600 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.69585E-03 ppm1 7.329 ppm2 1.402 CV 1 OR { 73} (( segid " " and resid 11 and name HE )) ( segid " " and resid 7 and name HG2%) ASSI { 77} (( segid " " and resid 11 and name HE )) (( segid " " and resid 7 and name HB )) 4.000 2.000 2.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.70922E-03 ppm1 7.329 ppm2 4.304 CV 1 OR { 77} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) ASSI { 118} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.700 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 8.405 ppm2 4.481 CV 1 OR { 118} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 123} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.300 2.300 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 8.405 ppm2 1.619 CV 1 OR { 123} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 124} (( segid " " and resid 80 and name HN )) ( segid " " and resid 77 and name HD1%) 4.200 2.200 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.36562E-03 ppm1 8.407 ppm2 0.972 CV 1 OR { 124} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 124} (( segid " " and resid 80 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 132} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.400 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 7.967 ppm2 4.688 CV 1 OR { 132} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 146} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 8.057 ppm2 3.310 CV 1 OR { 146} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 152} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.100 2.100 1.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 8.057 ppm2 1.046 CV 1 OR { 152} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD2%) OR { 152} (( segid " " and resid 32 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 158} (( segid " " and resid 54 and name HN )) ( segid " " and resid 50 and name HB% ) 3.300 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.50567E-03 ppm1 8.047 ppm2 1.647 CV 1 OR { 158} (( segid " " and resid 54 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 162} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.300 2.300 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.40987E-03 ppm1 8.048 ppm2 2.213 CV 1 OR { 162} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 164} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18648E-02 ppm1 8.047 ppm2 4.265 CV 1 OR { 164} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 165} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.86717E-02 ppm1 8.048 ppm2 4.106 CV 1 OR { 165} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 165} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 173} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.57157E-02 ppm1 7.489 ppm2 4.099 CV 1 OR { 173} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 173} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 178} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name H31%) 5.800 4.200 0.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.25047E-03 ppm1 8.929 ppm2 1.065 CV 1 OR { 178} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 188} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.800 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.47843E-02 ppm1 8.244 ppm2 8.492 CV 1 OR { 188} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 206} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) 4.000 2.000 2.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.72624E-03 ppm1 8.111 ppm2 0.980 CV 1 OR { 206} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) OR { 206} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 209} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 8.104 ppm2 4.093 CV 1 OR { 209} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 209} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 210} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.32195E-02 ppm1 7.808 ppm2 8.230 CV 1 OR { 210} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 212} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 7.809 ppm2 4.384 CV 1 OR { 212} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) OR { 212} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 219} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.400 2.400 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.86100E-03 ppm1 7.811 ppm2 1.533 CV 1 OR { 219} (( segid " " and resid 17 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 220} (( segid " " and resid 17 and name HN )) ( segid " " and resid 48 and name HG2%) 4.800 2.900 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.29968E-03 ppm1 7.808 ppm2 1.115 CV 1 OR { 220} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 221} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) 5.000 3.100 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.27213E-03 ppm1 7.809 ppm2 1.033 CV 1 OR { 221} (( segid " " and resid 17 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 221} (( segid " " and resid 17 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 222} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 4.600 2.700 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.34652E-03 ppm1 7.809 ppm2 2.611 CV 1 OR { 222} (( segid " " and resid 17 and name HN )) (( segid " " and resid 47 and name HG1 )) ASSI { 223} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 4.800 2.800 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.42469E-03 ppm1 7.807 ppm2 2.375 CV 1 OR { 223} (( segid " " and resid 17 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 232} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 7.718 ppm2 4.368 CV 1 OR { 232} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 236} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 7.721 ppm2 2.993 CV 1 OR { 236} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 244} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HG2%) 2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.39513E-02 ppm1 9.053 ppm2 1.409 CV 1 OR { 244} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) ASSI { 256} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.800 2.900 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.52152E-03 ppm1 8.834 ppm2 2.704 CV 1 OR { 256} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 256} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 259} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.81520E-03 ppm1 8.836 ppm2 0.791 CV 1 OR { 259} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 284} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 4.400 2.400 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.45886E-03 ppm1 8.131 ppm2 4.720 CV 1 OR { 284} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 288} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.400 2.400 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.77150E-03 ppm1 7.988 ppm2 1.397 CV 1 OR { 288} (( segid " " and resid 12 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 290} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.400 3.400 2.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37334E-03 ppm1 7.988 ppm2 2.698 CV 1 OR { 290} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 290} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 303} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG2%) 5.300 3.500 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.23004E-03 ppm1 7.458 ppm2 1.020 CV 1 OR { 303} (( segid " " and resid 68 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 315} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.200 2.200 1.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.90121E-03 ppm1 9.569 ppm2 1.847 CV 1 OR { 315} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 322} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.700 2.700 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.49455E-03 ppm1 9.568 ppm2 2.996 CV 1 OR { 322} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 323} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG2%) 5.100 3.300 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.29751E-03 ppm1 9.570 ppm2 1.063 CV 1 OR { 323} (( segid " " and resid 36 and name HN )) ( segid " " and resid 70 and name HG2%) ASSI { 326} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.59395E-03 ppm1 9.568 ppm2 7.722 CV 1 OR { 326} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 330} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.700 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.50059E-02 ppm1 8.576 ppm2 4.537 CV 1 OR { 330} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 333} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.900 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.35983E-02 ppm1 8.577 ppm2 2.822 CV 1 OR { 333} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 334} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.600 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.47895E-02 ppm1 8.577 ppm2 2.740 CV 1 OR { 334} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 348} (( segid " " and resid 34 and name HN )) (( segid " " and resid 38 and name HN )) 4.300 2.300 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.50680E-03 ppm1 8.461 ppm2 7.729 CV 1 OR { 348} (( segid " " and resid 34 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 359} (( segid " " and resid 34 and name HN )) ( segid " " and resid 70 and name HG2%) 3.500 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.17975E-02 ppm1 8.464 ppm2 1.057 CV 1 OR { 359} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 359} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 367} (( segid " " and resid 73 and name HN )) ( segid " " and resid 68 and name HG1%) 4.600 2.600 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.61441E-03 ppm1 7.825 ppm2 1.122 CV 1 OR { 367} (( segid " " and resid 73 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 368} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HG2%) 4.100 2.200 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.57017E-03 ppm1 7.829 ppm2 1.066 CV 1 OR { 368} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 368} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 380} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.800 1.800 1.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.78589E-03 ppm1 7.769 ppm2 4.469 CV 1 OR { 380} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 391} (( segid " " and resid 67 and name HN )) ( segid " " and resid 64 and name HG1%) 4.500 2.500 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.38103E-03 ppm1 7.612 ppm2 0.972 CV 1 OR { 391} (( segid " " and resid 67 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 410} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.85096E-03 ppm1 8.996 ppm2 4.229 CV 1 OR { 410} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 417} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.200 3.200 2.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 8.998 ppm2 1.042 CV 1 OR { 417} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 420} (( segid " " and resid 79 and name HN )) ( segid " " and resid 77 and name HD1%) 4.000 2.000 2.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.85413E-03 ppm1 8.875 ppm2 0.973 CV 1 OR { 420} (( segid " " and resid 79 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 420} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 421} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.22287E-02 ppm1 8.875 ppm2 0.877 CV 1 OR { 421} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 426} (( segid " " and resid 79 and name HN )) (( segid " " and resid 5 and name HB1 )) 4.700 2.700 1.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.49503E-03 ppm1 8.877 ppm2 1.609 CV 1 OR { 426} (( segid " " and resid 79 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 442} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 4.300 2.300 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.94218E-03 ppm1 8.676 ppm2 0.874 CV 1 OR { 442} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 442} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 443} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 4.400 2.400 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.63470E-03 ppm1 8.675 ppm2 0.791 CV 1 OR { 443} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 447} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.500 3.500 2.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.31353E-03 ppm1 8.676 ppm2 2.278 CV 1 OR { 447} (( segid " " and resid 76 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 472} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.66080E-02 ppm1 7.553 ppm2 7.721 CV 1 OR { 472} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 475} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 5.100 3.300 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.32277E-03 ppm1 7.553 ppm2 4.623 CV 1 OR { 475} (( segid " " and resid 37 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 481} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.800 1.800 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 7.554 ppm2 1.846 CV 1 OR { 481} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 484} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 4.000 2.000 2.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.94813E-03 ppm1 7.553 ppm2 1.049 CV 1 OR { 484} (( segid " " and resid 37 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 490} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.25688E-02 ppm1 7.519 ppm2 3.305 CV 1 OR { 490} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 495} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.92360E-03 ppm1 7.516 ppm2 7.214 CV 1 OR { 495} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 496} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.200 0.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.57114E-02 ppm1 7.519 ppm2 8.043 CV 1 OR { 496} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 500} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.28366E-02 ppm1 7.440 ppm2 4.539 CV 1 OR { 500} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 503} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HA )) 5.000 3.200 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.47889E-03 ppm1 7.439 ppm2 4.032 CV 1 OR { 503} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HD1 )) ASSI { 517} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.33922E-02 ppm1 8.903 ppm2 4.108 CV 1 OR { 517} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 517} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 521} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.25282E-02 ppm1 8.903 ppm2 2.214 CV 1 OR { 521} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 525} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HB% ) 5.000 3.100 1.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.37773E-03 ppm1 8.905 ppm2 1.534 CV 1 OR { 525} (( segid " " and resid 53 and name HN )) (( segid " " and resid 60 and name HG11)) ASSI { 527} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 4.900 3.000 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.60066E-03 ppm1 8.903 ppm2 1.023 CV 1 OR { 527} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 529} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HD1%) 4.200 2.200 1.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.98260E-03 ppm1 8.903 ppm2 0.850 CV 1 OR { 529} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 532} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.31838E-02 ppm1 8.393 ppm2 4.390 CV 1 OR { 532} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 533} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.54145E-03 ppm1 8.397 ppm2 4.212 CV 1 OR { 533} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 536} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.400 1.400 1.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16820E-02 ppm1 8.394 ppm2 1.121 CV 1 OR { 536} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 537} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) 3.700 1.700 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.11348E-02 ppm1 8.393 ppm2 1.033 CV 1 OR { 537} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 537} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 543} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) 3.000 1.100 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.41405E-02 ppm1 8.395 ppm2 1.878 CV 1 OR { 543} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) ASSI { 544} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HB )) 4.300 2.300 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.61967E-03 ppm1 8.393 ppm2 2.270 CV 1 OR { 544} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HB1 )) OR { 544} (( segid " " and resid 14 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 545} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) 5.100 3.200 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.32683E-03 ppm1 8.389 ppm2 3.940 CV 1 OR { 545} (( segid " " and resid 14 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 548} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.14195E-02 ppm1 8.836 ppm2 1.135 CV 1 OR { 548} (( segid " " and resid 11 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 549} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.300 2.300 1.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.77069E-03 ppm1 8.836 ppm2 1.041 CV 1 OR { 549} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 549} (( segid " " and resid 11 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 550} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) 4.400 2.400 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.61908E-03 ppm1 8.835 ppm2 0.886 CV 1 OR { 550} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) OR { 550} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 551} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD1%) 4.900 3.000 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.55868E-03 ppm1 8.836 ppm2 0.792 CV 1 OR { 551} (( segid " " and resid 11 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 554} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.200 1.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.51444E-03 ppm1 8.839 ppm2 2.710 CV 1 OR { 554} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 554} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 561} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.300 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.21253E-02 ppm1 8.836 ppm2 7.332 CV 1 OR { 561} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE )) ASSI { 565} (( segid " " and resid 13 and name HN )) ( segid " " and resid 48 and name HG2%) 4.600 2.600 1.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.55863E-03 ppm1 7.708 ppm2 1.120 CV 1 OR { 565} (( segid " " and resid 13 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 565} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 577} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) 3.100 1.200 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.41569E-02 ppm1 8.268 ppm2 0.978 CV 1 OR { 577} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 577} (( segid " " and resid 82 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 578} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 3.500 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 8.283 ppm2 0.875 CV 1 OR { 578} (( segid " " and resid 78 and name HN )) ( segid " " and resid 60 and name HD1%) OR { 578} (( segid " " and resid 82 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 578} (( segid " " and resid 78 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 579} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 8.286 ppm2 0.794 CV 1 OR { 579} (( segid " " and resid 78 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 580} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 3.800 1.800 1.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.18140E-02 ppm1 8.229 ppm2 1.119 CV 1 OR { 580} (( segid " " and resid 50 and name HN )) ( segid " " and resid 48 and name HG2%) OR { 580} (( segid " " and resid 16 and name HN )) ( segid " " and resid 48 and name HG2%) OR { 580} (( segid " " and resid 8 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 581} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.14898E-02 ppm1 8.229 ppm2 1.035 CV 1 OR { 581} (( segid " " and resid 46 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 581} (( segid " " and resid 50 and name HN )) ( segid " " and resid 60 and name HG2%) OR { 581} (( segid " " and resid 50 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 581} (( segid " " and resid 8 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 582} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.500 1.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 8.238 ppm2 1.389 CV 1 OR { 582} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG )) ASSI { 585} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.52852E-02 ppm1 8.261 ppm2 1.622 CV 1 OR { 585} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 586} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) 2.500 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.50691E-02 ppm1 8.221 ppm2 1.543 CV 1 OR { 586} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 591} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.400 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.68979E-02 ppm1 8.230 ppm2 2.264 CV 1 OR { 591} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) ASSI { 594} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.200 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.10192E-01 ppm1 8.286 ppm2 1.928 CV 1 OR { 594} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 595} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG )) 2.300 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.49430E-02 ppm1 8.266 ppm2 1.843 CV 1 OR { 595} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 597} (( segid " " and resid 46 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.000 3.000 3.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.13725E-02 ppm1 8.231 ppm2 2.819 CV 1 OR { 597} (( segid " " and resid 50 and name HN )) (( segid " " and resid 62 and name HB1 )) OR { 597} (( segid " " and resid 50 and name HN )) (( segid " " and resid 56 and name HB2 )) OR { 597} (( segid " " and resid 16 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 597} (( segid " " and resid 16 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 597} (( segid " " and resid 16 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 599} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 3.400 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.28853E-02 ppm1 8.230 ppm2 2.614 CV 1 OR { 599} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name H2A )) OR { 599} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name H2B )) OR { 599} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HG1 )) ASSI { 600} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.96263E-03 ppm1 8.230 ppm2 4.035 CV 1 OR { 600} (( segid " " and resid 46 and name HN )) (( segid " " and resid 65 and name HA )) ASSI { 601} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.34788E-02 ppm1 8.225 ppm2 3.938 CV 1 OR { 601} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) OR { 601} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 603} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.600 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.36856E-02 ppm1 8.286 ppm2 3.741 CV 1 OR { 603} (( segid " " and resid 82 and name HN )) (( segid " " and resid 78 and name HA )) ASSI { 604} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.300 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 8.143 ppm2 3.953 CV 1 OR { 604} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 606} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 606 spectrum 1 weight 0.10000E+01 volume 0.17419E-02 ppm1 8.229 ppm2 4.388 CV 1 OR { 606} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) OR { 606} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 608} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.800 0.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.59605E-02 ppm1 8.230 ppm2 4.233 CV 1 OR { 608} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) OR { 608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) OR { 608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 613} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.900 1.100 1.100 peak 613 spectrum 1 weight 0.10000E+01 volume 0.19947E-02 ppm1 8.230 ppm2 7.809 CV 1 OR { 613} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 615} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.100 0.600 0.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.10110E-01 ppm1 8.228 ppm2 8.468 CV 1 OR { 615} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) OR { 615} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) ASSI { 619} (( segid " " and resid 78 and name HN )) ( segid " " and resid 5 and name HD1%) 4.800 2.900 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.51093E-03 ppm1 8.283 ppm2 0.615 CV 1 OR { 619} (( segid " " and resid 82 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 625} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.71051E-02 ppm1 8.493 ppm2 8.234 CV 1 OR { 625} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) OR { 625} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 630} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.71905E-02 ppm1 8.487 ppm2 2.332 CV 1 OR { 630} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 630} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 631} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.40774E-02 ppm1 8.492 ppm2 2.221 CV 1 OR { 631} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 633} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.48598E-02 ppm1 8.439 ppm2 2.209 CV 1 OR { 633} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 634} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 2.400 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.46174E-02 ppm1 8.439 ppm2 2.040 CV 1 OR { 634} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 635} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HB% ) 3.600 1.600 1.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 8.495 ppm2 1.533 CV 1 OR { 635} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) OR { 635} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 642} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.22969E-02 ppm1 8.455 ppm2 1.436 CV 1 OR { 642} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 645} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 8.463 ppm2 4.032 CV 1 OR { 645} (( segid " " and resid 15 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 647} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 8.463 ppm2 4.389 CV 1 OR { 647} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 649} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.17613E-02 ppm1 8.448 ppm2 4.316 CV 1 OR { 649} (( segid " " and resid 15 and name HN )) (( segid " " and resid 27 and name HA )) ASSI { 654} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.500 2.600 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.67298E-03 ppm1 8.135 ppm2 0.984 CV 1 OR { 654} (( segid " " and resid 55 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 655} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.57790E-02 ppm1 8.134 ppm2 4.096 CV 1 OR { 655} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 655} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 656} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.80597E-03 ppm1 8.139 ppm2 4.344 CV 1 OR { 656} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 662} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.900 1.100 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.25335E-02 ppm1 7.887 ppm2 4.544 CV 1 OR { 662} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 665} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) 4.600 2.600 1.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.54891E-03 ppm1 7.887 ppm2 1.580 CV 1 OR { 665} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) OR { 665} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 666} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HG2%) 4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.56378E-03 ppm1 7.886 ppm2 1.398 CV 1 OR { 666} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 666} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB2 )) OR { 666} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 670} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.67889E-03 ppm1 7.885 ppm2 8.834 CV 1 OR { 670} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 671} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 4.400 2.400 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 7.730 ppm2 0.972 CV 1 OR { 671} (( segid " " and resid 74 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 673} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 7.731 ppm2 2.271 CV 1 OR { 673} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 680} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.500 2.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.46523E-03 ppm1 7.728 ppm2 1.536 CV 1 OR { 680} (( segid " " and resid 74 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 682} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 6.896 ppm2 1.638 CV 1 OR { 682} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 31 and name HB1 )) OR { 682} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HB2 )) OR { 682} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HB2 )) ASSI { 696} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 2.500 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.52310E-02 ppm1 9.143 ppm2 7.478 CV 1 OR { 696} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 703} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 8.736 ppm2 1.687 CV 1 OR { 703} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 705} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 8.736 ppm2 1.126 CV 1 OR { 705} (( segid " " and resid 75 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 707} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.500 2.500 1.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.84183E-03 ppm1 8.735 ppm2 0.968 CV 1 OR { 707} (( segid " " and resid 75 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 708} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 4.400 2.400 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 8.735 ppm2 0.873 CV 1 OR { 708} (( segid " " and resid 75 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 709} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13803E-02 ppm1 8.735 ppm2 0.789 CV 1 OR { 709} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 718} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.39975E-02 ppm1 8.033 ppm2 7.722 CV 1 OR { 718} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 722} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 8.059 ppm2 4.547 CV 1 OR { 722} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 735} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.500 2.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.66289E-03 ppm1 8.062 ppm2 2.049 CV 1 OR { 735} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 735} (( segid " " and resid 10 and name HN )) (( segid " " and resid 52 and name HG )) OR { 735} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 742} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.48376E-02 ppm1 8.062 ppm2 1.567 CV 1 OR { 742} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 744} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 4.000 2.000 2.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.13971E-02 ppm1 8.060 ppm2 1.042 CV 1 OR { 744} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 745} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD2%) 4.400 2.400 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.51384E-03 ppm1 8.056 ppm2 0.880 CV 1 OR { 745} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 746} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.94631E-03 ppm1 8.060 ppm2 0.794 CV 1 OR { 746} (( segid " " and resid 10 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 748} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) 3.600 1.700 1.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 7.954 ppm2 0.981 CV 1 OR { 748} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 749} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 2.800 2.800 3.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 7.955 ppm2 0.881 CV 1 OR { 749} (( segid " " and resid 83 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 749} (( segid " " and resid 83 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 750} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HG2%) 4.400 2.400 1.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.63696E-03 ppm1 8.060 ppm2 1.378 CV 1 OR { 750} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HB2 )) ASSI { 753} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.600 1.600 1.600 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26313E-03 ppm1 8.489 ppm2 4.054 CV 1 OR { 753} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA1 )) OR { 753} (( segid " " and resid 22 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 770} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.300 1.300 1.300 peak 770 spectrum 1 weight 0.10000E+01 volume 0.27485E-02 ppm1 7.213 ppm2 1.056 CV 1 OR { 770} (( segid " " and resid 33 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 770} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 773} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.800 2.900 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.38840E-03 ppm1 7.213 ppm2 2.192 CV 1 OR { 773} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 775} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.100 2.100 1.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.70074E-03 ppm1 7.215 ppm2 3.306 CV 1 OR { 775} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 776} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.69891E-03 ppm1 7.214 ppm2 3.025 CV 1 OR { 776} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 780} (( segid " " and resid 33 and name HN )) (( segid " " and resid 70 and name HB )) 4.300 2.300 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.48328E-03 ppm1 7.212 ppm2 4.615 CV 1 OR { 780} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 792} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) 5.300 3.500 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.30291E-03 ppm1 8.765 ppm2 1.020 CV 1 OR { 792} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) ASSI { 793} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HD1 )) 5.600 4.000 0.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.19666E-03 ppm1 8.764 ppm2 4.022 CV 1 OR { 793} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HA )) ASSI { 804} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HD2 )) 4.600 2.700 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.66498E-03 ppm1 8.423 ppm2 2.841 CV 1 OR { 804} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 805} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.600 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.421 ppm2 2.182 CV 1 OR { 805} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HG1 )) ASSI { 806} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.21403E-02 ppm1 8.421 ppm2 4.372 CV 1 OR { 806} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 813} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.200 2.200 1.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.84076E-03 ppm1 8.420 ppm2 1.843 CV 1 OR { 813} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 815} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 4.000 2.000 2.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.13547E-02 ppm1 8.420 ppm2 1.062 CV 1 OR { 815} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 819} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.100 1.200 1.200 peak 819 spectrum 1 weight 0.10000E+01 volume 0.34297E-02 ppm1 8.224 ppm2 0.999 CV 1 OR { 819} (( segid " " and resid 65 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 829} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.800 1.800 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.58160E-03 ppm1 8.160 ppm2 2.843 CV 1 OR { 829} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 834} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 4.800 2.900 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.33265E-03 ppm1 8.159 ppm2 3.914 CV 1 OR { 834} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name H28B)) ASSI { 835} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.800 2.900 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.37596E-03 ppm1 8.160 ppm2 2.329 CV 1 OR { 835} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 835} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 836} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) 3.800 1.800 1.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.21257E-02 ppm1 7.996 ppm2 0.967 CV 1 OR { 836} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 836} (( segid " " and resid 77 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 845} (( segid " " and resid 77 and name HN )) ( segid " " and resid 68 and name HG1%) 4.700 2.800 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.30723E-03 ppm1 7.998 ppm2 1.134 CV 1 OR { 845} (( segid " " and resid 77 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 847} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HG )) 4.200 2.200 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.36044E-03 ppm1 7.997 ppm2 1.719 CV 1 OR { 847} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 848} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.32261E-02 ppm1 7.826 ppm2 8.237 CV 1 OR { 848} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) ASSI { 855} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG2%) 5.200 3.400 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.23985E-03 ppm1 7.825 ppm2 1.121 CV 1 OR { 855} (( segid " " and resid 18 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 860} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 8.721 ppm2 4.250 CV 1 OR { 860} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 861} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.41711E-02 ppm1 8.720 ppm2 3.947 CV 1 OR { 861} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.100 2.100 1.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.40146E-03 ppm1 8.720 ppm2 2.332 CV 1 OR { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 867} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.100 2.100 1.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.44813E-03 ppm1 8.722 ppm2 2.200 CV 1 OR { 867} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 870} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.500 1.500 1.500 peak 870 spectrum 1 weight 0.10000E+01 volume 0.15392E-02 ppm1 8.603 ppm2 8.475 CV 1 OR { 870} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 882} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) 2.900 2.900 3.100 peak 882 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 8.605 ppm2 1.268 CV 1 OR { 882} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 894} (( segid " " and resid 41 and name HN )) (( segid " " and resid 44 and name HA )) 5.300 3.500 0.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.30969E-03 ppm1 8.002 ppm2 4.347 CV 1 OR { 894} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 906} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 4.500 2.500 1.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.86986E-03 ppm1 9.427 ppm2 1.704 CV 1 OR { 906} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 910} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) 3.200 1.300 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.21989E-02 ppm1 9.428 ppm2 0.980 CV 1 OR { 910} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 911} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) 4.000 2.000 2.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.17940E-02 ppm1 9.428 ppm2 0.882 CV 1 OR { 911} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD2%) OR { 911} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 922} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.000 0.500 0.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.15941E-01 ppm1 8.151 ppm2 4.384 CV 1 OR { 922} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 926} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) 4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 7.819 ppm2 1.058 CV 1 OR { 926} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name H31%) ASSI { 932} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.900 1.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 7.844 ppm2 4.470 CV 1 OR { 932} (( segid " " and resid 85 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 937} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.46613E-02 ppm1 7.818 ppm2 4.264 CV 1 OR { 937} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 941} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.000 2.000 2.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.51351E-03 ppm1 7.817 ppm2 2.846 CV 1 OR { 941} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 944} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 7.596 ppm2 0.975 CV 1 OR { 944} (( segid " " and resid 81 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 944} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 944} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 969} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.600 2.600 1.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.44996E-03 ppm1 8.073 ppm2 0.979 CV 1 OR { 969} (( segid " " and resid 66 and name HN )) (( segid " " and resid 74 and name HG )) OR { 969} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 974} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.300 2.300 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.39306E-03 ppm1 8.072 ppm2 4.444 CV 1 OR { 974} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 979} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.600 1.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.27069E-03 ppm1 8.068 ppm2 2.823 CV 1 OR { 979} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 980} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.500 3.500 2.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.27409E-03 ppm1 8.073 ppm2 2.739 CV 1 OR { 980} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 989} (( segid " " and resid 60 and name HN )) ( segid " " and resid 42 and name H4% ) 5.000 3.100 1.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.28905E-03 ppm1 8.306 ppm2 0.945 CV 1 OR { 989} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 992} (( segid " " and resid 49 and name HN )) ( segid " " and resid 60 and name HG2%) 5.000 3.100 1.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.40543E-03 ppm1 8.722 ppm2 1.020 CV 1 OR { 992} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 993} (( segid " " and resid 49 and name HN )) ( segid " " and resid 60 and name HD1%) 5.100 3.300 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.47950E-03 ppm1 8.721 ppm2 0.856 CV 1 OR { 993} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 2950} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 3.500 1.600 1.600 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 2.756 ppm2 1.065 CV 1 OR { 2950} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 43 and name HD2%) ASSI { 2982} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 42 and name H28B)) 4.500 2.500 1.500 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.49639E-03 ppm1 2.844 ppm2 3.925 CV 1 OR { 2982} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HA )) ASSI { 2983} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 42 and name H28B)) 3.500 1.500 1.500 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.57414E-03 ppm1 2.756 ppm2 3.913 CV 1 OR { 2983} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) ASSI { 5194} (( segid " " and resid 49 and name HA )) ( segid " " and resid 13 and name HB% ) 3.700 1.700 1.700 peak 5194 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 3.962 ppm2 1.661 CV 1 OR { 5194} (( segid " " and resid 49 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 5197} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 50 and name HB% ) 2.900 1.100 1.100 peak 5197 spectrum 1 weight 0.10000E+01 volume 0.87431E-02 ppm1 1.545 ppm2 1.662 CV 1 OR { 5197} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H3B )) OR { 5197} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 13 and name HB% ) ASSI { 5208} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 43 and name HD2%) 3.800 1.800 1.800 peak 5208 spectrum 1 weight 0.10000E+01 volume 0.91474E-03 ppm1 2.847 ppm2 1.073 CV 1 OR { 5208} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) ASSI { 7} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 42 and name H4% ) 3.400 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.18169E-02 ppm1 1.524 ppm2 0.944 CV 1 OR { 7} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 42 and name H4% ) ASSI { 30} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) 3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.42143E-02 ppm1 4.261 ppm2 0.961 CV 1 OR { 30} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H30%) OR { 30} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H30%) ASSI { 32} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) 3.700 1.700 1.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.37833E-02 ppm1 4.255 ppm2 1.064 CV 1 OR { 32} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H31%) OR { 32} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H31%) ASSI { 73} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H2B )) 3.500 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.12060E-02 ppm1 1.053 ppm2 2.633 CV 1 OR { 73} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H2A )) OR { 73} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H2A )) OR { 73} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H2B ))
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