NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
551368 | 2lla | 17287 | cing | 1-original | 7 | XPLOR/CNS | distance | NOE | simple |
ASSI { 33} (( segid " " and resid 6 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.300 1.000 1.500 peak 33 spectrum 1 weight 0.11000E+01 volume 0.13945E-02 ppm1 9.318 ppm2 2.143 CV 1 ASSI { 35} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.300 1.000 1.500 peak 35 spectrum 1 weight 0.11000E+01 volume 0.63766E-03 ppm1 9.311 ppm2 3.022 CV 1 ASSI { 41} (( segid " " and resid 8 and name HN )) ( segid " " and resid 78 and name HD2%) 5.000 1.000 1.000 peak 41 spectrum 1 weight 0.11000E+01 volume 0.36053E-03 ppm1 8.691 ppm2 0.373 CV 1 ASSI { 44} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG1%) 2.800 1.000 1.000 peak 44 spectrum 1 weight 0.11000E+01 volume 0.27485E-02 ppm1 8.693 ppm2 0.721 CV 1 ASSI { 46} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.600 1.000 1.000 peak 46 spectrum 1 weight 0.11000E+01 volume 0.23875E-02 ppm1 8.692 ppm2 1.834 CV 1 ASSI { 48} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG1 )) 4.400 1.100 1.000 peak 48 spectrum 1 weight 0.11000E+01 volume 0.17660E-02 ppm1 8.689 ppm2 2.068 CV 1 ASSI { 49} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG2 )) 3.900 1.900 1.900 peak 49 spectrum 1 weight 0.11000E+01 volume 0.18054E-02 ppm1 8.692 ppm2 2.070 CV 1 ASSI { 52} (( segid " " and resid 8 and name HN )) (( segid " " and resid 16 and name HA )) 5.000 1.000 1.000 peak 52 spectrum 1 weight 0.11000E+01 volume 0.47578E-03 ppm1 8.685 ppm2 3.945 CV 1 ASSI { 53} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.000 1.000 1.000 peak 53 spectrum 1 weight 0.11000E+01 volume 0.14032E-02 ppm1 8.689 ppm2 4.545 CV 1 ASSI { 54} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.800 1.000 0.800 peak 54 spectrum 1 weight 0.11000E+01 volume 0.33575E-02 ppm1 8.696 ppm2 5.266 CV 1 ASSI { 63} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB )) 3.000 1.000 1.000 peak 63 spectrum 1 weight 0.11000E+01 volume 0.29619E-02 ppm1 7.850 ppm2 3.703 CV 1 ASSI { 65} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 3.100 1.000 1.000 peak 65 spectrum 1 weight 0.11000E+01 volume 0.10211E-02 ppm1 7.850 ppm2 5.411 CV 1 ASSI { 66} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 4.800 1.000 1.000 peak 66 spectrum 1 weight 0.11000E+01 volume 0.43128E-03 ppm1 7.849 ppm2 8.692 CV 1 ASSI { 67} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 5.000 1.000 1.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.35111E-03 ppm1 7.844 ppm2 8.538 CV 1 ASSI { 82} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HG2%) 4.500 1.500 1.500 peak 82 spectrum 1 weight 0.11000E+01 volume 0.13286E-02 ppm1 7.711 ppm2 1.086 CV 1 ASSI { 84} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HB% ) 2.800 1.000 0.600 peak 84 spectrum 1 weight 0.11000E+01 volume 0.10713E-01 ppm1 7.712 ppm2 1.472 CV 1 ASSI { 90} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD2 )) 3.800 1.800 1.000 peak 90 spectrum 1 weight 0.11000E+01 volume 0.15206E-02 ppm1 7.712 ppm2 4.111 CV 1 ASSI { 91} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 91 spectrum 1 weight 0.11000E+01 volume 0.46908E-02 ppm1 7.712 ppm2 6.715 CV 1 ASSI { 94} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 3.600 1.000 1.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.12815E-02 ppm1 7.712 ppm2 8.701 CV 1 ASSI { 161} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.600 1.000 1.000 peak 161 spectrum 1 weight 0.11000E+01 volume 0.15845E-02 ppm1 6.715 ppm2 4.215 CV 1 ASSI { 166} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.800 1.000 0.500 peak 166 spectrum 1 weight 0.11000E+01 volume 0.42711E-02 ppm1 6.716 ppm2 8.702 CV 1 ASSI { 167} (( segid " " and resid 14 and name HN )) ( segid " " and resid 9 and name HG2%) 3.900 1.000 1.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.14208E-02 ppm1 8.704 ppm2 0.830 CV 1 ASSI { 169} (( segid " " and resid 14 and name HN )) ( segid " " and resid 12 and name HB% ) 4.900 1.500 1.000 peak 169 spectrum 1 weight 0.11000E+01 volume 0.94806E-03 ppm1 8.702 ppm2 1.472 CV 1 ASSI { 171} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA1 )) 2.800 1.000 1.000 peak 171 spectrum 1 weight 0.11000E+01 volume 0.31904E-02 ppm1 8.705 ppm2 3.371 CV 1 ASSI { 177} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.11000E+01 volume 0.30899E-02 ppm1 8.703 ppm2 7.694 CV 1 ASSI { 180} (( segid " " and resid 15 and name HN )) ( segid " " and resid 13 and name HG2%) 4.000 1.000 1.000 peak 180 spectrum 1 weight 0.11000E+01 volume 0.59096E-03 ppm1 7.682 ppm2 1.087 CV 1 ASSI { 182} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.800 1.000 0.800 peak 182 spectrum 1 weight 0.11000E+01 volume 0.27100E-02 ppm1 7.686 ppm2 2.143 CV 1 ASSI { 185} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 185 spectrum 1 weight 0.11000E+01 volume 0.29136E-02 ppm1 7.688 ppm2 2.748 CV 1 ASSI { 186} (( segid " " and resid 15 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.600 1.500 1.400 peak 186 spectrum 1 weight 0.11000E+01 volume 0.99699E-03 ppm1 7.685 ppm2 3.211 CV 1 ASSI { 188} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.11000E+01 volume 0.22211E-02 ppm1 7.686 ppm2 3.710 CV 1 ASSI { 189} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.000 1.000 1.500 peak 189 spectrum 1 weight 0.11000E+01 volume 0.93587E-03 ppm1 7.685 ppm2 4.107 CV 1 ASSI { 191} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HB )) 4.000 1.000 1.500 peak 191 spectrum 1 weight 0.11000E+01 volume 0.70724E-03 ppm1 7.684 ppm2 4.319 CV 1 ASSI { 194} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HN )) 3.900 1.000 1.000 peak 194 spectrum 1 weight 0.11000E+01 volume 0.10217E-02 ppm1 7.685 ppm2 6.720 CV 1 ASSI { 195} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 4.900 1.000 1.000 peak 195 spectrum 1 weight 0.11000E+01 volume 0.60985E-03 ppm1 7.685 ppm2 7.036 CV 1 ASSI { 197} (( segid " " and resid 15 and name HN )) (( segid " " and resid 10 and name HN )) 4.000 1.000 1.000 peak 197 spectrum 1 weight 0.11000E+01 volume 0.65678E-03 ppm1 7.684 ppm2 8.531 CV 1 ASSI { 200} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HG1%) 3.300 1.000 1.000 peak 200 spectrum 1 weight 0.11000E+01 volume 0.20828E-02 ppm1 7.035 ppm2 0.509 CV 1 ASSI { 202} (( segid " " and resid 16 and name HN )) ( segid " " and resid 9 and name HG2%) 4.300 1.000 1.000 peak 202 spectrum 1 weight 0.11000E+01 volume 0.70926E-03 ppm1 7.032 ppm2 0.831 CV 1 ASSI { 203} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB )) 2.800 1.000 0.800 peak 203 spectrum 1 weight 0.11000E+01 volume 0.41566E-02 ppm1 7.034 ppm2 1.496 CV 1 ASSI { 204} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.400 1.500 1.000 peak 204 spectrum 1 weight 0.11000E+01 volume 0.61431E-03 ppm1 7.038 ppm2 2.125 CV 1 ASSI { 205} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 4.200 1.000 1.000 peak 205 spectrum 1 weight 0.11000E+01 volume 0.66400E-03 ppm1 7.030 ppm2 2.750 CV 1 ASSI { 206} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 0.600 peak 206 spectrum 1 weight 0.11000E+01 volume 0.69041E-02 ppm1 7.035 ppm2 3.708 CV 1 ASSI { 210} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 5.000 1.000 1.000 peak 210 spectrum 1 weight 0.11000E+01 volume 0.55179E-03 ppm1 7.038 ppm2 9.080 CV 1 ASSI { 212} (( segid " " and resid 17 and name HN )) ( segid " " and resid 9 and name HG2%) 5.300 1.800 0.700 peak 212 spectrum 1 weight 0.11000E+01 volume 0.59948E-03 ppm1 9.080 ppm2 0.833 CV 1 ASSI { 216} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB )) 5.000 1.000 1.000 peak 216 spectrum 1 weight 0.11000E+01 volume 0.46747E-03 ppm1 9.080 ppm2 1.494 CV 1 ASSI { 217} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.300 1.000 1.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.10144E-02 ppm1 9.082 ppm2 2.671 CV 1 ASSI { 220} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.800 1.000 0.600 peak 220 spectrum 1 weight 0.11000E+01 volume 0.38285E-02 ppm1 9.081 ppm2 3.949 CV 1 ASSI { 221} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.000 1.000 peak 221 spectrum 1 weight 0.11000E+01 volume 0.82145E-03 ppm1 9.082 ppm2 4.561 CV 1 ASSI { 226} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 4.700 1.000 1.000 peak 226 spectrum 1 weight 0.11000E+01 volume 0.64638E-03 ppm1 9.086 ppm2 8.543 CV 1 ASSI { 232} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA1 )) 5.000 1.000 1.000 peak 232 spectrum 1 weight 0.11000E+01 volume 0.78025E-03 ppm1 6.721 ppm2 3.372 CV 1 ASSI { 237} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.000 1.000 1.000 peak 237 spectrum 1 weight 0.11000E+01 volume 0.29836E-02 ppm1 8.704 ppm2 4.103 CV 1 ASSI { 242} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.000 1.000 peak 242 spectrum 1 weight 0.11000E+01 volume 0.12763E-02 ppm1 7.037 ppm2 3.943 CV 1 ASSI { 247} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HE% ) 5.000 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.43278E-03 ppm1 9.086 ppm2 7.239 CV 1 ASSI { 248} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HD% ) 3.300 1.000 1.000 peak 248 spectrum 1 weight 0.11000E+01 volume 0.14128E-02 ppm1 9.083 ppm2 7.358 CV 1 ASSI { 255} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.300 1.000 1.000 peak 255 spectrum 1 weight 0.11000E+01 volume 0.18885E-02 ppm1 8.537 ppm2 2.219 CV 1 ASSI { 261} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.000 1.500 peak 261 spectrum 1 weight 0.11000E+01 volume 0.70166E-03 ppm1 8.530 ppm2 4.887 CV 1 ASSI { 262} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HD% ) 4.800 1.000 1.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.58741E-03 ppm1 8.538 ppm2 7.370 CV 1 ASSI { 263} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 4.800 1.000 1.000 peak 263 spectrum 1 weight 0.11000E+01 volume 0.50400E-03 ppm1 8.531 ppm2 7.983 CV 1 ASSI { 265} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD2%) 4.200 1.000 1.000 peak 265 spectrum 1 weight 0.11000E+01 volume 0.62389E-03 ppm1 7.988 ppm2 -0.463 CV 1 ASSI { 267} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD1%) 4.500 1.000 1.000 peak 267 spectrum 1 weight 0.11000E+01 volume 0.75144E-03 ppm1 7.987 ppm2 -0.109 CV 1 ASSI { 274} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) 4.100 1.000 1.000 peak 274 spectrum 1 weight 0.11000E+01 volume 0.50676E-03 ppm1 7.998 ppm2 2.213 CV 1 ASSI { 275} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 4.300 1.000 1.000 peak 275 spectrum 1 weight 0.11000E+01 volume 0.44867E-03 ppm1 7.997 ppm2 2.922 CV 1 ASSI { 276} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 3.200 1.000 1.300 peak 276 spectrum 1 weight 0.11000E+01 volume 0.11131E-02 ppm1 7.989 ppm2 4.328 CV 1 ASSI { 277} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 0.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.23525E-02 ppm1 7.994 ppm2 4.894 CV 1 ASSI { 279} (( segid " " and resid 19 and name HN )) (( segid " " and resid 7 and name HA )) 3.400 1.000 2.600 peak 279 spectrum 1 weight 0.11000E+01 volume 0.72518E-03 ppm1 7.990 ppm2 5.264 CV 1 ASSI { 287} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.11000E+01 volume 0.27665E-02 ppm1 8.916 ppm2 3.011 CV 1 ASSI { 288} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 3.000 1.000 1.000 peak 288 spectrum 1 weight 0.11000E+01 volume 0.16756E-02 ppm1 8.915 ppm2 3.992 CV 1 ASSI { 290} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.300 1.000 1.000 peak 290 spectrum 1 weight 0.11000E+01 volume 0.71170E-03 ppm1 8.919 ppm2 4.316 CV 1 ASSI { 292} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HD21)) 3.900 1.500 1.500 peak 292 spectrum 1 weight 0.11000E+01 volume 0.13227E-02 ppm1 8.917 ppm2 6.990 CV 1 ASSI { 293} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 293 spectrum 1 weight 0.11000E+01 volume 0.21016E-02 ppm1 8.916 ppm2 7.991 CV 1 ASSI { 295} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.000 1.000 1.000 peak 295 spectrum 1 weight 0.11000E+01 volume 0.72941E-03 ppm1 8.783 ppm2 2.357 CV 1 ASSI { 296} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.200 1.000 1.000 peak 296 spectrum 1 weight 0.11000E+01 volume 0.79197E-03 ppm1 8.781 ppm2 3.013 CV 1 ASSI { 297} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.000 1.000 1.000 peak 297 spectrum 1 weight 0.11000E+01 volume 0.22454E-02 ppm1 8.781 ppm2 3.766 CV 1 ASSI { 298} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.000 1.000 1.000 peak 298 spectrum 1 weight 0.11000E+01 volume 0.20518E-02 ppm1 8.782 ppm2 3.926 CV 1 ASSI { 299} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.400 1.000 1.000 peak 299 spectrum 1 weight 0.11000E+01 volume 0.10710E-02 ppm1 8.783 ppm2 3.988 CV 1 ASSI { 300} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.000 1.000 1.000 peak 300 spectrum 1 weight 0.11000E+01 volume 0.24908E-02 ppm1 8.779 ppm2 4.148 CV 1 ASSI { 301} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 3.400 1.000 1.000 peak 301 spectrum 1 weight 0.11000E+01 volume 0.77975E-03 ppm1 8.787 ppm2 4.337 CV 1 ASSI { 303} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 4.600 1.000 1.000 peak 303 spectrum 1 weight 0.11000E+01 volume 0.50377E-03 ppm1 8.781 ppm2 7.536 CV 1 ASSI { 304} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.11000E+01 volume 0.22026E-02 ppm1 8.782 ppm2 7.762 CV 1 ASSI { 305} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.11000E+01 volume 0.16135E-02 ppm1 8.780 ppm2 8.895 CV 1 ASSI { 306} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD1%) 4.500 1.000 1.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.15689E-02 ppm1 7.760 ppm2 -0.074 CV 1 ASSI { 307} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD2%) 4.300 1.000 1.000 peak 307 spectrum 1 weight 0.11000E+01 volume 0.17495E-02 ppm1 7.764 ppm2 0.587 CV 1 ASSI { 311} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.11000E+01 volume 0.17363E-02 ppm1 7.765 ppm2 1.352 CV 1 ASSI { 312} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.11000E+01 volume 0.22048E-02 ppm1 7.762 ppm2 1.675 CV 1 ASSI { 313} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.700 1.000 1.000 peak 313 spectrum 1 weight 0.11000E+01 volume 0.84216E-03 ppm1 7.763 ppm2 4.149 CV 1 ASSI { 314} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.100 1.000 1.000 peak 314 spectrum 1 weight 0.11000E+01 volume 0.16394E-02 ppm1 7.760 ppm2 4.363 CV 1 ASSI { 315} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.800 1.000 0.700 peak 315 spectrum 1 weight 0.11000E+01 volume 0.29398E-02 ppm1 7.762 ppm2 7.534 CV 1 ASSI { 317} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HD2%) 5.000 1.000 1.000 peak 317 spectrum 1 weight 0.11000E+01 volume 0.65837E-03 ppm1 7.539 ppm2 0.589 CV 1 ASSI { 318} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG1 )) 3.100 1.000 1.000 peak 318 spectrum 1 weight 0.11000E+01 volume 0.29607E-02 ppm1 7.535 ppm2 1.421 CV 1 ASSI { 321} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.000 1.000 1.000 peak 321 spectrum 1 weight 0.11000E+01 volume 0.38832E-02 ppm1 7.537 ppm2 1.759 CV 1 ASSI { 322} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 4.000 1.000 1.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.90774E-03 ppm1 7.538 ppm2 4.005 CV 1 ASSI { 323} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 0.800 peak 323 spectrum 1 weight 0.11000E+01 volume 0.26185E-02 ppm1 7.536 ppm2 4.122 CV 1 ASSI { 339} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 0.600 peak 339 spectrum 1 weight 0.11000E+01 volume 0.65202E-02 ppm1 8.078 ppm2 4.124 CV 1 ASSI { 340} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.000 1.000 peak 340 spectrum 1 weight 0.11000E+01 volume 0.20115E-02 ppm1 8.077 ppm2 4.496 CV 1 ASSI { 341} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 4.400 1.000 1.000 peak 341 spectrum 1 weight 0.11000E+01 volume 0.90783E-03 ppm1 8.080 ppm2 7.538 CV 1 ASSI { 346} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.500 peak 346 spectrum 1 weight 0.11000E+01 volume 0.62897E-03 ppm1 9.282 ppm2 4.018 CV 1 ASSI { 348} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HG1 )) 4.800 1.000 1.000 peak 348 spectrum 1 weight 0.11000E+01 volume 0.58811E-03 ppm1 8.203 ppm2 1.306 CV 1 ASSI { 349} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.100 1.000 1.000 peak 349 spectrum 1 weight 0.11000E+01 volume 0.58183E-03 ppm1 8.198 ppm2 1.496 CV 1 ASSI { 352} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG1 )) 3.900 1.200 1.100 peak 352 spectrum 1 weight 0.11000E+01 volume 0.66562E-03 ppm1 8.205 ppm2 2.206 CV 1 ASSI { 353} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG2 )) 4.500 1.000 1.000 peak 353 spectrum 1 weight 0.11000E+01 volume 0.66562E-03 ppm1 8.206 ppm2 2.206 CV 1 ASSI { 354} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.800 1.000 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.19987E-02 ppm1 8.202 ppm2 3.742 CV 1 ASSI { 355} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 355 spectrum 1 weight 0.11000E+01 volume 0.16868E-02 ppm1 8.202 ppm2 3.818 CV 1 ASSI { 356} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.600 1.000 1.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.76589E-03 ppm1 8.203 ppm2 4.018 CV 1 ASSI { 359} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 359 spectrum 1 weight 0.11000E+01 volume 0.16302E-02 ppm1 8.201 ppm2 7.450 CV 1 ASSI { 361} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HG1 )) 3.700 1.000 1.000 peak 361 spectrum 1 weight 0.11000E+01 volume 0.23350E-02 ppm1 7.454 ppm2 1.310 CV 1 ASSI { 363} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.200 1.200 1.200 peak 363 spectrum 1 weight 0.11000E+01 volume 0.13553E-02 ppm1 7.453 ppm2 1.492 CV 1 ASSI { 364} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HB1 )) 4.100 1.000 1.000 peak 364 spectrum 1 weight 0.11000E+01 volume 0.11378E-02 ppm1 7.453 ppm2 1.634 CV 1 ASSI { 365} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.400 1.000 1.000 peak 365 spectrum 1 weight 0.11000E+01 volume 0.93370E-03 ppm1 7.451 ppm2 1.900 CV 1 ASSI { 372} (( segid " " and resid 27 and name HN )) (( segid " " and resid 41 and name HA2 )) 5.000 2.000 1.000 peak 372 spectrum 1 weight 0.11000E+01 volume 0.66348E-03 ppm1 7.451 ppm2 4.717 CV 1 ASSI { 377} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 4.000 1.000 1.000 peak 377 spectrum 1 weight 0.11000E+01 volume 0.12316E-02 ppm1 7.452 ppm2 9.228 CV 1 ASSI { 386} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.900 1.000 1.000 peak 386 spectrum 1 weight 0.11000E+01 volume 0.54509E-03 ppm1 8.855 ppm2 1.594 CV 1 ASSI { 390} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.900 1.000 1.000 peak 390 spectrum 1 weight 0.11000E+01 volume 0.10216E-02 ppm1 8.876 ppm2 2.559 CV 1 ASSI { 391} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.300 1.000 1.000 peak 391 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 8.872 ppm2 2.675 CV 1 ASSI { 392} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.33616E-02 ppm1 8.871 ppm2 3.862 CV 1 ASSI { 394} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD% ) 4.800 1.000 1.000 peak 394 spectrum 1 weight 0.11000E+01 volume 0.63969E-03 ppm1 8.873 ppm2 7.224 CV 1 ASSI { 396} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.000 1.000 1.000 peak 396 spectrum 1 weight 0.11000E+01 volume 0.13704E-02 ppm1 8.873 ppm2 5.079 CV 1 ASSI { 398} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 3.900 1.000 1.000 peak 398 spectrum 1 weight 0.11000E+01 volume 0.32564E-03 ppm1 8.872 ppm2 9.517 CV 1 ASSI { 407} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG12)) 2.000 0.200 1.100 peak 407 spectrum 1 weight 0.11000E+01 volume 0.10649E-02 ppm1 9.516 ppm2 1.234 CV 1 ASSI { 410} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB )) 5.000 1.000 1.000 peak 410 spectrum 1 weight 0.11000E+01 volume 0.43140E-03 ppm1 9.505 ppm2 2.034 CV 1 ASSI { 412} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 412 spectrum 1 weight 0.11000E+01 volume 0.21035E-02 ppm1 9.505 ppm2 4.818 CV 1 ASSI { 415} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 4.500 1.000 1.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.96269E-03 ppm1 9.524 ppm2 8.824 CV 1 ASSI { 416} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.200 1.000 1.000 peak 416 spectrum 1 weight 0.11000E+01 volume 0.30497E-02 ppm1 8.835 ppm2 3.639 CV 1 ASSI { 417} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.800 1.000 0.800 peak 417 spectrum 1 weight 0.11000E+01 volume 0.27699E-02 ppm1 8.837 ppm2 3.743 CV 1 ASSI { 419} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 0.500 peak 419 spectrum 1 weight 0.11000E+01 volume 0.71528E-02 ppm1 8.836 ppm2 4.246 CV 1 ASSI { 420} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 420 spectrum 1 weight 0.11000E+01 volume 0.31628E-02 ppm1 8.841 ppm2 4.722 CV 1 ASSI { 421} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 4.700 1.000 1.000 peak 421 spectrum 1 weight 0.11000E+01 volume 0.56999E-03 ppm1 8.831 ppm2 8.267 CV 1 ASSI { 423} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD1%) 5.500 1.000 0.500 peak 423 spectrum 1 weight 0.11000E+01 volume 0.45713E-03 ppm1 8.837 ppm2 0.558 CV 1 ASSI { 425} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG2%) 3.200 1.000 1.000 peak 425 spectrum 1 weight 0.11000E+01 volume 0.43217E-02 ppm1 8.836 ppm2 0.906 CV 1 ASSI { 431} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HG11)) 4.000 1.000 1.000 peak 431 spectrum 1 weight 0.11000E+01 volume 0.78453E-03 ppm1 8.265 ppm2 0.897 CV 1 ASSI { 432} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.200 1.000 1.000 peak 432 spectrum 1 weight 0.11000E+01 volume 0.16900E-02 ppm1 8.271 ppm2 2.396 CV 1 ASSI { 433} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.000 1.000 peak 433 spectrum 1 weight 0.11000E+01 volume 0.16657E-02 ppm1 8.270 ppm2 2.751 CV 1 ASSI { 434} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.000 1.000 1.000 peak 434 spectrum 1 weight 0.11000E+01 volume 0.10770E-02 ppm1 8.274 ppm2 3.649 CV 1 ASSI { 435} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.500 1.500 1.000 peak 435 spectrum 1 weight 0.11000E+01 volume 0.12514E-02 ppm1 8.273 ppm2 3.741 CV 1 ASSI { 436} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 0.600 peak 436 spectrum 1 weight 0.11000E+01 volume 0.38726E-02 ppm1 8.274 ppm2 4.710 CV 1 ASSI { 437} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.300 1.000 1.000 peak 437 spectrum 1 weight 0.11000E+01 volume 0.10985E-02 ppm1 8.271 ppm2 4.867 CV 1 ASSI { 438} (( segid " " and resid 32 and name HN )) (( segid " " and resid 37 and name HA )) 3.400 1.000 1.000 peak 438 spectrum 1 weight 0.11000E+01 volume 0.88445E-03 ppm1 8.271 ppm2 5.088 CV 1 ASSI { 439} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HN )) 3.900 1.000 1.000 peak 439 spectrum 1 weight 0.11000E+01 volume 0.69969E-03 ppm1 8.268 ppm2 8.085 CV 1 ASSI { 440} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 5.000 1.000 1.000 peak 440 spectrum 1 weight 0.11000E+01 volume 0.50477E-03 ppm1 8.266 ppm2 8.700 CV 1 ASSI { 444} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG11)) 4.200 1.000 1.000 peak 444 spectrum 1 weight 0.11000E+01 volume 0.16956E-02 ppm1 8.694 ppm2 1.244 CV 1 ASSI { 448} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.100 1.000 1.000 peak 448 spectrum 1 weight 0.11000E+01 volume 0.75831E-03 ppm1 8.691 ppm2 2.392 CV 1 ASSI { 449} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.000 1.000 peak 449 spectrum 1 weight 0.11000E+01 volume 0.30285E-03 ppm1 8.694 ppm2 2.731 CV 1 ASSI { 450} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.11000E+01 volume 0.26266E-02 ppm1 8.693 ppm2 3.923 CV 1 ASSI { 454} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.500 peak 454 spectrum 1 weight 0.11000E+01 volume 0.16666E-02 ppm1 8.693 ppm2 8.055 CV 1 ASSI { 458} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.300 1.000 1.000 peak 458 spectrum 1 weight 0.11000E+01 volume 0.78483E-03 ppm1 8.371 ppm2 5.093 CV 1 ASSI { 466} (( segid " " and resid 38 and name HN )) (( segid " " and resid 30 and name HB )) 4.500 1.000 1.000 peak 466 spectrum 1 weight 0.11000E+01 volume 0.76471E-03 ppm1 9.470 ppm2 1.712 CV 1 ASSI { 468} (( segid " " and resid 38 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.000 1.000 peak 468 spectrum 1 weight 0.11000E+01 volume 0.82222E-03 ppm1 9.466 ppm2 4.713 CV 1 ASSI { 469} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.800 1.000 0.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.37305E-02 ppm1 9.467 ppm2 5.096 CV 1 ASSI { 474} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.11000E+01 volume 0.15262E-02 ppm1 8.891 ppm2 4.627 CV 1 ASSI { 481} (( segid " " and resid 40 and name HN )) ( segid " " and resid 46 and name HG1%) 4.400 1.000 1.600 peak 481 spectrum 1 weight 0.11000E+01 volume 0.13405E-02 ppm1 8.789 ppm2 0.646 CV 1 ASSI { 482} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.300 1.000 1.000 peak 482 spectrum 1 weight 0.11000E+01 volume 0.12939E-02 ppm1 8.790 ppm2 0.894 CV 1 ASSI { 483} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG1 )) 3.500 1.000 1.000 peak 483 spectrum 1 weight 0.11000E+01 volume 0.19515E-02 ppm1 8.788 ppm2 1.340 CV 1 ASSI { 503} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.11000E+01 volume 0.16639E-02 ppm1 8.794 ppm2 5.084 CV 1 ASSI { 504} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.800 1.000 0.500 peak 504 spectrum 1 weight 0.11000E+01 volume 0.57919E-02 ppm1 8.792 ppm2 5.200 CV 1 ASSI { 508} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 4.500 1.000 1.000 peak 508 spectrum 1 weight 0.11000E+01 volume 0.70773E-03 ppm1 8.794 ppm2 9.492 CV 1 ASSI { 518} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA1 )) 3.300 1.000 1.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.15915E-02 ppm1 9.224 ppm2 3.575 CV 1 ASSI { 520} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.600 1.000 1.000 peak 520 spectrum 1 weight 0.11000E+01 volume 0.66697E-03 ppm1 9.223 ppm2 0.881 CV 1 ASSI { 523} (( segid " " and resid 41 and name HN )) (( segid " " and resid 55 and name HA )) 3.300 1.000 1.500 peak 523 spectrum 1 weight 0.11000E+01 volume 0.11668E-02 ppm1 9.219 ppm2 5.483 CV 1 ASSI { 526} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 4.400 1.500 1.000 peak 526 spectrum 1 weight 0.11000E+01 volume 0.58321E-03 ppm1 9.226 ppm2 8.839 CV 1 ASSI { 528} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB )) 3.100 1.000 1.000 peak 528 spectrum 1 weight 0.11000E+01 volume 0.20534E-02 ppm1 8.848 ppm2 1.840 CV 1 ASSI { 529} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA1 )) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.11000E+01 volume 0.19909E-02 ppm1 8.848 ppm2 3.570 CV 1 ASSI { 531} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 4.000 1.500 1.300 peak 531 spectrum 1 weight 0.11000E+01 volume 0.91062E-03 ppm1 8.848 ppm2 3.853 CV 1 ASSI { 537} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HG2%) 4.500 1.000 1.000 peak 537 spectrum 1 weight 0.11000E+01 volume 0.60976E-03 ppm1 7.981 ppm2 0.905 CV 1 ASSI { 539} (( segid " " and resid 43 and name HN )) ( segid " " and resid 80 and name HD2%) 3.600 1.000 1.500 peak 539 spectrum 1 weight 0.11000E+01 volume 0.13404E-02 ppm1 7.981 ppm2 1.180 CV 1 ASSI { 544} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 544 spectrum 1 weight 0.11000E+01 volume 0.18057E-02 ppm1 7.979 ppm2 4.357 CV 1 ASSI { 545} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.800 1.000 1.100 peak 545 spectrum 1 weight 0.11000E+01 volume 0.10492E-02 ppm1 7.984 ppm2 6.512 CV 1 ASSI { 550} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA2 )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.11000E+01 volume 0.40341E-02 ppm1 6.603 ppm2 2.917 CV 1 ASSI { 552} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.900 1.000 1.100 peak 552 spectrum 1 weight 0.11000E+01 volume 0.32547E-02 ppm1 6.598 ppm2 1.618 CV 1 ASSI { 554} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG1 )) 2.500 1.000 1.100 peak 554 spectrum 1 weight 0.11000E+01 volume 0.19076E-02 ppm1 6.598 ppm2 1.732 CV 1 ASSI { 555} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA1 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.11000E+01 volume 0.49692E-02 ppm1 6.600 ppm2 1.938 CV 1 ASSI { 556} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 556 spectrum 1 weight 0.11000E+01 volume 0.18464E-02 ppm1 6.600 ppm2 3.469 CV 1 ASSI { 559} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 4.500 1.500 1.000 peak 559 spectrum 1 weight 0.11000E+01 volume 0.72124E-03 ppm1 6.596 ppm2 8.079 CV 1 ASSI { 563} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 2.800 1.000 1.500 peak 563 spectrum 1 weight 0.11000E+01 volume 0.32661E-02 ppm1 8.086 ppm2 0.651 CV 1 ASSI { 564} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 4.000 1.500 1.000 peak 564 spectrum 1 weight 0.11000E+01 volume 0.66444E-03 ppm1 8.086 ppm2 1.419 CV 1 ASSI { 565} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 3.000 1.000 1.000 peak 565 spectrum 1 weight 0.11000E+01 volume 0.18653E-02 ppm1 8.085 ppm2 1.548 CV 1 ASSI { 566} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.100 1.000 1.000 peak 566 spectrum 1 weight 0.11000E+01 volume 0.11948E-02 ppm1 8.086 ppm2 1.734 CV 1 ASSI { 568} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 3.500 1.000 1.000 peak 568 spectrum 1 weight 0.11000E+01 volume 0.99858E-03 ppm1 8.085 ppm2 4.192 CV 1 ASSI { 570} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 5.500 1.500 0.500 peak 570 spectrum 1 weight 0.11000E+01 volume 0.39140E-03 ppm1 8.074 ppm2 8.621 CV 1 ASSI { 571} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HG2%) 4.000 1.000 1.000 peak 571 spectrum 1 weight 0.11000E+01 volume 0.39719E-02 ppm1 8.792 ppm2 0.653 CV 1 ASSI { 572} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.000 1.000 1.500 peak 572 spectrum 1 weight 0.11000E+01 volume 0.83725E-03 ppm1 8.794 ppm2 1.314 CV 1 ASSI { 573} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.200 1.300 1.200 peak 573 spectrum 1 weight 0.11000E+01 volume 0.87716E-03 ppm1 8.792 ppm2 1.314 CV 1 ASSI { 574} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD2 )) 3.500 1.000 1.000 peak 574 spectrum 1 weight 0.11000E+01 volume 0.71669E-03 ppm1 8.793 ppm2 1.538 CV 1 ASSI { 575} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD1 )) 4.000 1.500 1.500 peak 575 spectrum 1 weight 0.11000E+01 volume 0.75100E-03 ppm1 8.792 ppm2 1.542 CV 1 ASSI { 576} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.100 1.000 1.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.27958E-02 ppm1 8.792 ppm2 1.683 CV 1 ASSI { 577} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.300 1.500 1.000 peak 577 spectrum 1 weight 0.11000E+01 volume 0.26450E-02 ppm1 8.792 ppm2 1.685 CV 1 ASSI { 578} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 2.800 1.000 1.000 peak 578 spectrum 1 weight 0.11000E+01 volume 0.33774E-02 ppm1 8.792 ppm2 2.214 CV 1 ASSI { 579} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.11000E+01 volume 0.28363E-02 ppm1 8.791 ppm2 2.625 CV 1 ASSI { 580} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.000 1.000 1.000 peak 580 spectrum 1 weight 0.11000E+01 volume 0.19055E-02 ppm1 8.795 ppm2 3.804 CV 1 ASSI { 581} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 3.700 1.000 1.500 peak 581 spectrum 1 weight 0.11000E+01 volume 0.10717E-02 ppm1 8.790 ppm2 4.179 CV 1 ASSI { 582} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 582 spectrum 1 weight 0.11000E+01 volume 0.42952E-02 ppm1 8.792 ppm2 4.280 CV 1 ASSI { 583} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HN )) 4.700 1.000 1.000 peak 583 spectrum 1 weight 0.11000E+01 volume 0.46485E-03 ppm1 8.793 ppm2 7.208 CV 1 ASSI { 584} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 584 spectrum 1 weight 0.11000E+01 volume 0.24019E-02 ppm1 8.793 ppm2 7.928 CV 1 ASSI { 585} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 3.000 1.000 0.800 peak 585 spectrum 1 weight 0.11000E+01 volume 0.20579E-02 ppm1 8.791 ppm2 8.624 CV 1 ASSI { 586} (( segid " " and resid 49 and name HN )) ( segid " " and resid 46 and name HG2%) 3.300 1.000 1.000 peak 586 spectrum 1 weight 0.11000E+01 volume 0.33293E-02 ppm1 7.930 ppm2 0.651 CV 1 ASSI { 587} (( segid " " and resid 49 and name HN )) ( segid " " and resid 53 and name HG2%) 4.500 1.000 1.500 peak 587 spectrum 1 weight 0.11000E+01 volume 0.68030E-03 ppm1 7.928 ppm2 1.042 CV 1 ASSI { 588} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB )) 3.500 1.000 1.500 peak 588 spectrum 1 weight 0.11000E+01 volume 0.11446E-02 ppm1 7.932 ppm2 1.544 CV 1 ASSI { 589} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) 5.500 1.000 0.500 peak 589 spectrum 1 weight 0.11000E+01 volume 0.39798E-03 ppm1 7.934 ppm2 1.672 CV 1 ASSI { 590} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HB )) 5.000 1.000 1.000 peak 590 spectrum 1 weight 0.11000E+01 volume 0.57725E-03 ppm1 7.930 ppm2 2.044 CV 1 ASSI { 593} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) 4.000 1.500 1.000 peak 593 spectrum 1 weight 0.11000E+01 volume 0.16467E-02 ppm1 7.932 ppm2 2.910 CV 1 ASSI { 604} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB )) 5.000 1.000 1.000 peak 604 spectrum 1 weight 0.11000E+01 volume 0.60350E-03 ppm1 7.210 ppm2 2.064 CV 1 ASSI { 607} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HD1 )) 4.700 1.000 1.300 peak 607 spectrum 1 weight 0.11000E+01 volume 0.68430E-03 ppm1 7.210 ppm2 3.498 CV 1 ASSI { 611} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA2 )) 3.000 1.000 1.000 peak 611 spectrum 1 weight 0.11000E+01 volume 0.24865E-02 ppm1 7.207 ppm2 4.395 CV 1 ASSI { 612} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.300 1.000 1.500 peak 612 spectrum 1 weight 0.11000E+01 volume 0.64315E-03 ppm1 7.210 ppm2 4.642 CV 1 ASSI { 614} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.11000E+01 volume 0.50544E-02 ppm1 7.210 ppm2 7.930 CV 1 ASSI { 626} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA1 )) 3.100 1.000 1.000 peak 626 spectrum 1 weight 0.11000E+01 volume 0.22481E-02 ppm1 9.760 ppm2 3.811 CV 1 ASSI { 635} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA1 )) 2.400 1.000 1.500 peak 635 spectrum 1 weight 0.11000E+01 volume 0.73044E-03 ppm1 9.018 ppm2 3.106 CV 1 ASSI { 637} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA2 )) 3.200 1.000 1.300 peak 637 spectrum 1 weight 0.11000E+01 volume 0.81320E-03 ppm1 9.009 ppm2 4.380 CV 1 ASSI { 638} (( segid " " and resid 54 and name HN )) (( segid " " and resid 66 and name HA )) 2.900 1.000 1.000 peak 638 spectrum 1 weight 0.11000E+01 volume 0.61875E-03 ppm1 9.018 ppm2 4.673 CV 1 ASSI { 639} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 639 spectrum 1 weight 0.11000E+01 volume 0.21124E-02 ppm1 9.015 ppm2 7.171 CV 1 ASSI { 640} (( segid " " and resid 55 and name HN )) ( segid " " and resid 53 and name HG2%) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.48098E-02 ppm1 7.167 ppm2 1.039 CV 1 ASSI { 641} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HB% ) 3.000 1.000 1.000 peak 641 spectrum 1 weight 0.11000E+01 volume 0.19935E-02 ppm1 7.165 ppm2 1.232 CV 1 ASSI { 642} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.11000E+01 volume 0.11057E-02 ppm1 7.168 ppm2 3.114 CV 1 ASSI { 643} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 4.000 1.000 1.000 peak 643 spectrum 1 weight 0.11000E+01 volume 0.10055E-02 ppm1 7.166 ppm2 4.260 CV 1 ASSI { 644} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA2 )) 3.100 1.000 1.500 peak 644 spectrum 1 weight 0.11000E+01 volume 0.75038E-03 ppm1 7.170 ppm2 4.379 CV 1 ASSI { 648} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HN )) 5.000 1.000 1.000 peak 648 spectrum 1 weight 0.11000E+01 volume 0.53904E-03 ppm1 7.174 ppm2 9.139 CV 1 ASSI { 663} (( segid " " and resid 56 and name HN )) (( segid " " and resid 39 and name HN )) 3.400 1.000 1.500 peak 663 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 9.154 ppm2 8.887 CV 1 ASSI { 664} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB1 )) 3.500 1.000 1.400 peak 664 spectrum 1 weight 0.11000E+01 volume 0.94222E-03 ppm1 8.533 ppm2 2.844 CV 1 ASSI { 665} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 3.200 1.000 1.200 peak 665 spectrum 1 weight 0.11000E+01 volume 0.10124E-02 ppm1 8.537 ppm2 3.049 CV 1 ASSI { 671} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 4.000 1.000 1.000 peak 671 spectrum 1 weight 0.11000E+01 volume 0.80442E-03 ppm1 9.206 ppm2 1.997 CV 1 ASSI { 674} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG1 )) 5.000 1.000 1.000 peak 674 spectrum 1 weight 0.11000E+01 volume 0.42976E-03 ppm1 9.210 ppm2 2.110 CV 1 ASSI { 677} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA2 )) 3.100 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.22930E-02 ppm1 9.207 ppm2 4.201 CV 1 ASSI { 683} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.800 1.000 0.800 peak 683 spectrum 1 weight 0.11000E+01 volume 0.34614E-02 ppm1 7.735 ppm2 3.819 CV 1 ASSI { 684} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA2 )) 3.000 1.000 1.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.36899E-02 ppm1 7.734 ppm2 4.015 CV 1 ASSI { 685} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB )) 4.000 1.000 1.000 peak 685 spectrum 1 weight 0.11000E+01 volume 0.83849E-03 ppm1 7.733 ppm2 4.196 CV 1 ASSI { 690} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.800 1.000 0.800 peak 690 spectrum 1 weight 0.11000E+01 volume 0.18114E-02 ppm1 7.736 ppm2 7.050 CV 1 ASSI { 691} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 2.800 1.000 0.800 peak 691 spectrum 1 weight 0.11000E+01 volume 0.28842E-02 ppm1 7.734 ppm2 7.358 CV 1 ASSI { 695} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG11)) 4.000 1.000 1.400 peak 695 spectrum 1 weight 0.11000E+01 volume 0.89943E-03 ppm1 8.881 ppm2 1.058 CV 1 ASSI { 701} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 0.600 peak 701 spectrum 1 weight 0.11000E+01 volume 0.42650E-02 ppm1 8.879 ppm2 3.915 CV 1 ASSI { 706} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 5.500 1.000 0.500 peak 706 spectrum 1 weight 0.11000E+01 volume 0.29303E-03 ppm1 8.872 ppm2 7.050 CV 1 ASSI { 707} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 4.600 1.000 1.000 peak 707 spectrum 1 weight 0.11000E+01 volume 0.55070E-03 ppm1 8.880 ppm2 8.797 CV 1 ASSI { 725} (( segid " " and resid 80 and name HN )) (( segid " " and resid 101 and name HA )) 3.900 1.000 1.100 peak 725 spectrum 1 weight 0.11000E+01 volume 0.47854E-03 ppm1 8.784 ppm2 5.189 CV 1 ASSI { 733} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HD1 )) 4.500 1.000 1.500 peak 733 spectrum 1 weight 0.11000E+01 volume 0.70674E-03 ppm1 6.294 ppm2 1.641 CV 1 ASSI { 738} (( segid " " and resid 65 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.800 1.000 1.500 peak 738 spectrum 1 weight 0.11000E+01 volume 0.10477E-02 ppm1 6.293 ppm2 3.444 CV 1 ASSI { 742} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.900 1.000 1.500 peak 742 spectrum 1 weight 0.11000E+01 volume 0.22025E-02 ppm1 6.295 ppm2 8.790 CV 1 ASSI { 743} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 4.000 1.000 1.000 peak 743 spectrum 1 weight 0.11000E+01 volume 0.66486E-03 ppm1 6.293 ppm2 9.082 CV 1 ASSI { 746} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG2 )) 3.500 1.000 1.600 peak 746 spectrum 1 weight 0.11000E+01 volume 0.11145E-02 ppm1 9.076 ppm2 1.146 CV 1 ASSI { 747} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HD1 )) 4.100 1.000 1.000 peak 747 spectrum 1 weight 0.11000E+01 volume 0.21770E-02 ppm1 9.076 ppm2 1.616 CV 1 ASSI { 750} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA1 )) 2.800 1.000 1.000 peak 750 spectrum 1 weight 0.11000E+01 volume 0.24334E-02 ppm1 9.075 ppm2 3.111 CV 1 ASSI { 754} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 4.600 1.000 1.000 peak 754 spectrum 1 weight 0.11000E+01 volume 0.30300E-03 ppm1 9.073 ppm2 7.155 CV 1 ASSI { 755} (( segid " " and resid 66 and name HN )) (( segid " " and resid 83 and name HN )) 3.800 1.000 1.500 peak 755 spectrum 1 weight 0.11000E+01 volume 0.52151E-03 ppm1 9.073 ppm2 8.789 CV 1 ASSI { 756} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 756 spectrum 1 weight 0.11000E+01 volume 0.16112E-02 ppm1 7.164 ppm2 4.661 CV 1 ASSI { 769} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 769 spectrum 1 weight 0.11000E+01 volume 0.69860E-03 ppm1 7.164 ppm2 2.040 CV 1 ASSI { 789} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB1 )) 3.300 1.000 1.100 peak 789 spectrum 1 weight 0.11000E+01 volume 0.67537E-03 ppm1 7.232 ppm2 2.808 CV 1 ASSI { 798} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.500 1.000 1.000 peak 798 spectrum 1 weight 0.11000E+01 volume 0.12608E-02 ppm1 9.047 ppm2 2.144 CV 1 ASSI { 804} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.900 1.000 1.000 peak 804 spectrum 1 weight 0.11000E+01 volume 0.81555E-03 ppm1 9.053 ppm2 5.290 CV 1 ASSI { 806} (( segid " " and resid 70 and name HN )) ( segid " " and resid 80 and name HD1%) 3.700 1.000 1.000 peak 806 spectrum 1 weight 0.11000E+01 volume 0.13460E-02 ppm1 8.378 ppm2 0.984 CV 1 ASSI { 810} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 2.800 1.000 1.000 peak 810 spectrum 1 weight 0.11000E+01 volume 0.40321E-02 ppm1 8.379 ppm2 1.651 CV 1 ASSI { 811} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.100 1.000 1.000 peak 811 spectrum 1 weight 0.11000E+01 volume 0.27783E-02 ppm1 8.377 ppm2 1.828 CV 1 ASSI { 816} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB% )) 3.300 1.000 1.000 peak 816 spectrum 1 weight 0.11000E+01 volume 0.15212E-02 ppm1 8.378 ppm2 2.806 CV 1 ASSI { 819} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.900 1.000 1.000 peak 819 spectrum 1 weight 0.11000E+01 volume 0.17681E-02 ppm1 8.381 ppm2 4.484 CV 1 ASSI { 821} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.900 1.000 1.000 peak 821 spectrum 1 weight 0.11000E+01 volume 0.14486E-02 ppm1 8.378 ppm2 5.284 CV 1 ASSI { 823} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 3.300 1.000 1.000 peak 823 spectrum 1 weight 0.11000E+01 volume 0.23378E-02 ppm1 8.377 ppm2 9.050 CV 1 ASSI { 826} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.300 1.000 1.000 peak 826 spectrum 1 weight 0.11000E+01 volume 0.18749E-02 ppm1 8.249 ppm2 0.950 CV 1 ASSI { 835} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 835 spectrum 1 weight 0.11000E+01 volume 0.34494E-02 ppm1 8.246 ppm2 4.476 CV 1 ASSI { 837} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 4.500 1.000 1.000 peak 837 spectrum 1 weight 0.11000E+01 volume 0.26224E-03 ppm1 8.242 ppm2 8.373 CV 1 ASSI { 841} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HG2%) 3.900 1.500 1.500 peak 841 spectrum 1 weight 0.11000E+01 volume 0.16643E-02 ppm1 8.915 ppm2 0.714 CV 1 ASSI { 843} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.800 1.000 1.000 peak 843 spectrum 1 weight 0.11000E+01 volume 0.20655E-02 ppm1 8.919 ppm2 2.577 CV 1 ASSI { 844} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 844 spectrum 1 weight 0.11000E+01 volume 0.26225E-02 ppm1 8.913 ppm2 3.070 CV 1 ASSI { 847} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 3.400 1.000 1.000 peak 847 spectrum 1 weight 0.11000E+01 volume 0.11384E-02 ppm1 8.913 ppm2 4.827 CV 1 ASSI { 848} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 848 spectrum 1 weight 0.11000E+01 volume 0.57842E-02 ppm1 8.916 ppm2 5.012 CV 1 ASSI { 851} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 5.000 1.000 1.000 peak 851 spectrum 1 weight 0.11000E+01 volume 0.50274E-03 ppm1 8.915 ppm2 8.677 CV 1 ASSI { 854} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HN )) 3.500 1.000 1.500 peak 854 spectrum 1 weight 0.11000E+01 volume 0.14965E-02 ppm1 8.673 ppm2 7.545 CV 1 ASSI { 855} (( segid " " and resid 74 and name HN )) ( segid " " and resid 78 and name HD1%) 4.000 1.000 1.000 peak 855 spectrum 1 weight 0.11000E+01 volume 0.99347E-03 ppm1 8.670 ppm2 0.014 CV 1 ASSI { 856} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HG1%) 3.100 1.000 1.000 peak 856 spectrum 1 weight 0.11000E+01 volume 0.51493E-02 ppm1 8.671 ppm2 0.699 CV 1 ASSI { 857} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HG2%) 4.100 1.000 1.000 peak 857 spectrum 1 weight 0.11000E+01 volume 0.62950E-03 ppm1 8.676 ppm2 0.802 CV 1 ASSI { 859} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB )) 3.300 1.000 1.000 peak 859 spectrum 1 weight 0.11000E+01 volume 0.27881E-02 ppm1 8.674 ppm2 1.793 CV 1 ASSI { 860} (( segid " " and resid 74 and name HN )) (( segid " " and resid 79 and name HG1 )) 4.000 1.000 1.000 peak 860 spectrum 1 weight 0.11000E+01 volume 0.54750E-03 ppm1 8.673 ppm2 2.001 CV 1 ASSI { 861} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) 4.600 2.600 1.400 peak 861 spectrum 1 weight 0.11000E+01 volume 0.97740E-03 ppm1 8.672 ppm2 2.574 CV 1 ASSI { 862} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.200 1.000 1.500 peak 862 spectrum 1 weight 0.11000E+01 volume 0.76057E-03 ppm1 8.676 ppm2 3.067 CV 1 ASSI { 863} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 863 spectrum 1 weight 0.11000E+01 volume 0.23061E-02 ppm1 8.672 ppm2 4.063 CV 1 ASSI { 864} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 0.600 peak 864 spectrum 1 weight 0.11000E+01 volume 0.44347E-02 ppm1 8.673 ppm2 4.828 CV 1 ASSI { 865} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HA )) 3.500 1.000 1.500 peak 865 spectrum 1 weight 0.11000E+01 volume 0.11070E-02 ppm1 8.672 ppm2 5.418 CV 1 ASSI { 866} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 3.800 1.000 1.000 peak 866 spectrum 1 weight 0.11000E+01 volume 0.13486E-02 ppm1 8.672 ppm2 8.926 CV 1 ASSI { 868} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HG1%) 3.000 1.000 1.600 peak 868 spectrum 1 weight 0.11000E+01 volume 0.49231E-02 ppm1 8.927 ppm2 0.700 CV 1 ASSI { 869} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HG2%) 3.000 1.000 1.500 peak 869 spectrum 1 weight 0.11000E+01 volume 0.49231E-02 ppm1 8.928 ppm2 0.697 CV 1 ASSI { 872} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.200 1.000 1.000 peak 872 spectrum 1 weight 0.11000E+01 volume 0.22046E-02 ppm1 8.928 ppm2 2.390 CV 1 ASSI { 873} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.500 1.000 1.000 peak 873 spectrum 1 weight 0.11000E+01 volume 0.18423E-02 ppm1 8.927 ppm2 2.737 CV 1 ASSI { 876} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.400 1.000 1.000 peak 876 spectrum 1 weight 0.11000E+01 volume 0.24785E-02 ppm1 8.926 ppm2 6.290 CV 1 ASSI { 883} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.400 1.000 1.500 peak 883 spectrum 1 weight 0.11000E+01 volume 0.61948E-03 ppm1 6.292 ppm2 2.744 CV 1 ASSI { 885} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 885 spectrum 1 weight 0.11000E+01 volume 0.34191E-02 ppm1 6.289 ppm2 4.093 CV 1 ASSI { 889} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HG1%) 3.100 1.000 1.000 peak 889 spectrum 1 weight 0.11000E+01 volume 0.82542E-02 ppm1 7.551 ppm2 0.785 CV 1 ASSI { 890} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB )) 2.800 1.000 0.700 peak 890 spectrum 1 weight 0.11000E+01 volume 0.53839E-02 ppm1 7.550 ppm2 1.994 CV 1 ASSI { 894} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 4.200 1.000 1.500 peak 894 spectrum 1 weight 0.11000E+01 volume 0.91094E-03 ppm1 7.556 ppm2 2.223 CV 1 ASSI { 897} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.000 1.000 peak 897 spectrum 1 weight 0.11000E+01 volume 0.26298E-02 ppm1 7.553 ppm2 4.339 CV 1 ASSI { 898} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 2.800 1.000 0.800 peak 898 spectrum 1 weight 0.11000E+01 volume 0.30256E-02 ppm1 7.552 ppm2 6.289 CV 1 ASSI { 899} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 4.500 1.000 1.000 peak 899 spectrum 1 weight 0.11000E+01 volume 0.73461E-03 ppm1 7.549 ppm2 8.354 CV 1 ASSI { 902} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.500 1.500 1.500 peak 902 spectrum 1 weight 0.11000E+01 volume 0.96592E-03 ppm1 8.357 ppm2 0.020 CV 1 ASSI { 903} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD2%) 4.300 1.500 1.500 peak 903 spectrum 1 weight 0.11000E+01 volume 0.74938E-03 ppm1 8.356 ppm2 0.378 CV 1 ASSI { 905} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HG2%) 4.000 1.000 1.000 peak 905 spectrum 1 weight 0.11000E+01 volume 0.45020E-02 ppm1 8.354 ppm2 0.794 CV 1 ASSI { 907} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB )) 4.000 1.000 1.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.17091E-02 ppm1 8.354 ppm2 1.996 CV 1 ASSI { 909} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 3.600 1.500 1.500 peak 909 spectrum 1 weight 0.11000E+01 volume 0.71936E-03 ppm1 8.353 ppm2 5.412 CV 1 ASSI { 912} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HD1%) 3.300 1.000 1.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.13916E-02 ppm1 9.046 ppm2 0.017 CV 1 ASSI { 913} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HD2%) 5.300 1.000 0.700 peak 913 spectrum 1 weight 0.11000E+01 volume 0.48664E-03 ppm1 9.051 ppm2 0.374 CV 1 ASSI { 916} (( segid " " and resid 79 and name HN )) ( segid " " and resid 77 and name HG1%) 4.900 1.000 1.000 peak 916 spectrum 1 weight 0.11000E+01 volume 0.51090E-03 ppm1 9.039 ppm2 0.792 CV 1 ASSI { 918} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG )) 3.500 1.000 1.500 peak 918 spectrum 1 weight 0.11000E+01 volume 0.13008E-02 ppm1 9.045 ppm2 1.272 CV 1 ASSI { 920} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB1 )) 3.900 3.900 2.100 peak 920 spectrum 1 weight 0.11000E+01 volume 0.17174E-02 ppm1 9.043 ppm2 1.663 CV 1 ASSI { 921} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.500 1.000 1.000 peak 921 spectrum 1 weight 0.11000E+01 volume 0.15172E-02 ppm1 9.043 ppm2 1.775 CV 1 ASSI { 923} (( segid " " and resid 79 and name HN )) (( segid " " and resid 72 and name HB2 )) 5.000 1.000 1.000 peak 923 spectrum 1 weight 0.11000E+01 volume 0.59273E-03 ppm1 9.043 ppm2 3.753 CV 1 ASSI { 924} (( segid " " and resid 79 and name HN )) (( segid " " and resid 71 and name HA )) 5.500 1.500 0.500 peak 924 spectrum 1 weight 0.11000E+01 volume 0.33698E-03 ppm1 9.035 ppm2 4.582 CV 1 ASSI { 925} (( segid " " and resid 79 and name HN )) (( segid " " and resid 73 and name HA )) 3.900 1.000 1.100 peak 925 spectrum 1 weight 0.11000E+01 volume 0.57769E-03 ppm1 9.039 ppm2 4.828 CV 1 ASSI { 926} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.800 1.000 0.600 peak 926 spectrum 1 weight 0.11000E+01 volume 0.45149E-02 ppm1 9.044 ppm2 5.413 CV 1 ASSI { 928} (( segid " " and resid 79 and name HN )) (( segid " " and resid 72 and name HN )) 3.000 1.000 1.500 peak 928 spectrum 1 weight 0.11000E+01 volume 0.18672E-02 ppm1 9.043 ppm2 8.860 CV 1 ASSI { 930} (( segid " " and resid 80 and name HN )) ( segid " " and resid 100 and name HD1%) 4.200 1.000 1.500 peak 930 spectrum 1 weight 0.11000E+01 volume 0.66644E-03 ppm1 8.786 ppm2 0.240 CV 1 ASSI { 932} (( segid " " and resid 80 and name HN )) ( segid " " and resid 71 and name HD2%) 5.000 1.500 1.000 peak 932 spectrum 1 weight 0.11000E+01 volume 0.59011E-03 ppm1 8.778 ppm2 0.596 CV 1 ASSI { 943} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 943 spectrum 1 weight 0.11000E+01 volume 0.23608E-02 ppm1 8.795 ppm2 4.090 CV 1 ASSI { 944} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.400 1.500 1.500 peak 944 spectrum 1 weight 0.11000E+01 volume 0.60556E-03 ppm1 8.788 ppm2 4.808 CV 1 ASSI { 951} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD1%) 3.000 1.000 1.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.12580E-02 ppm1 9.616 ppm2 0.989 CV 1 ASSI { 953} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 4.300 1.000 1.000 peak 953 spectrum 1 weight 0.11000E+01 volume 0.64506E-03 ppm1 9.620 ppm2 1.369 CV 1 ASSI { 956} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HB1 )) 5.500 1.500 0.500 peak 956 spectrum 1 weight 0.11000E+01 volume 0.36142E-03 ppm1 9.615 ppm2 1.648 CV 1 ASSI { 958} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB )) 3.400 1.000 1.000 peak 958 spectrum 1 weight 0.11000E+01 volume 0.18985E-02 ppm1 9.614 ppm2 2.027 CV 1 ASSI { 959} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.800 1.000 0.800 peak 959 spectrum 1 weight 0.11000E+01 volume 0.31161E-02 ppm1 9.615 ppm2 4.806 CV 1 ASSI { 961} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.400 1.500 1.000 peak 961 spectrum 1 weight 0.11000E+01 volume 0.10098E-02 ppm1 8.794 ppm2 2.804 CV 1 ASSI { 962} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.100 1.000 1.000 peak 962 spectrum 1 weight 0.11000E+01 volume 0.73687E-03 ppm1 8.797 ppm2 3.080 CV 1 ASSI { 969} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.200 1.000 1.000 peak 969 spectrum 1 weight 0.11000E+01 volume 0.27792E-02 ppm1 8.795 ppm2 2.073 CV 1 ASSI { 976} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG2 )) 4.600 1.500 1.000 peak 976 spectrum 1 weight 0.11000E+01 volume 0.87285E-03 ppm1 9.434 ppm2 2.215 CV 1 ASSI { 978} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.11000E+01 volume 0.26924E-02 ppm1 9.439 ppm2 2.070 CV 1 ASSI { 991} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 991 spectrum 1 weight 0.11000E+01 volume 0.35025E-02 ppm1 9.436 ppm2 4.170 CV 1 ASSI { 998} (( segid " " and resid 84 and name HN )) (( segid " " and resid 95 and name HD1 )) 4.400 1.000 1.000 peak 998 spectrum 1 weight 0.11000E+01 volume 0.74307E-03 ppm1 9.433 ppm2 1.605 CV 1 ASSI { 1001} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 3.400 1.000 1.400 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.14288E-02 ppm1 9.436 ppm2 8.397 CV 1 ASSI { 1003} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.800 1.000 1.000 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.85041E-03 ppm1 9.440 ppm2 2.670 CV 1 ASSI { 1009} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 5.500 1.500 0.500 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.27544E-03 ppm1 8.401 ppm2 2.650 CV 1 ASSI { 1010} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 5.000 1.000 1.000 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.39117E-03 ppm1 8.397 ppm2 2.938 CV 1 ASSI { 1011} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.200 1.000 1.000 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.13249E-02 ppm1 8.404 ppm2 3.447 CV 1 ASSI { 1012} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.900 1.000 1.000 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.21051E-02 ppm1 8.400 ppm2 4.148 CV 1 ASSI { 1014} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 4.000 1.000 1.300 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.74727E-03 ppm1 8.397 ppm2 8.130 CV 1 ASSI { 1018} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.100 1.000 1.000 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.12077E-02 ppm1 8.136 ppm2 3.450 CV 1 ASSI { 1020} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.400 1.500 1.000 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.12624E-02 ppm1 8.133 ppm2 2.595 CV 1 ASSI { 1021} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.500 1.500 1.000 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.11949E-02 ppm1 8.137 ppm2 2.859 CV 1 ASSI { 1023} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA2 )) 2.900 1.000 1.000 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.19629E-02 ppm1 8.130 ppm2 4.116 CV 1 ASSI { 1032} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 4.000 1.500 1.000 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.68612E-03 ppm1 8.136 ppm2 4.902 CV 1 ASSI { 1036} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG1 )) 4.800 1.000 1.000 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.53272E-03 ppm1 6.855 ppm2 1.990 CV 1 ASSI { 1037} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG2 )) 5.300 1.000 0.700 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.51704E-03 ppm1 6.851 ppm2 2.109 CV 1 ASSI { 1038} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB2 )) 4.700 1.000 1.300 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.61252E-03 ppm1 6.854 ppm2 2.274 CV 1 ASSI { 1042} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.900 1.000 1.000 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.26157E-02 ppm1 6.852 ppm2 4.048 CV 1 ASSI { 1045} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HB% ) 2.800 1.000 0.800 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.34702E-02 ppm1 7.287 ppm2 1.346 CV 1 ASSI { 1046} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.300 1.000 1.000 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.13607E-02 ppm1 7.290 ppm2 2.815 CV 1 ASSI { 1047} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.29282E-02 ppm1 7.286 ppm2 4.368 CV 1 ASSI { 1048} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 2.800 1.000 1.000 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.45399E-02 ppm1 7.286 ppm2 6.849 CV 1 ASSI { 1049} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HD21)) 5.300 1.000 0.700 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.35918E-03 ppm1 7.283 ppm2 6.972 CV 1 ASSI { 1055} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HB2 )) 4.100 1.000 1.000 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.12126E-02 ppm1 7.289 ppm2 3.195 CV 1 ASSI { 1056} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 3.000 1.000 1.000 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.24177E-02 ppm1 7.287 ppm2 4.053 CV 1 ASSI { 1057} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HA )) 3.500 1.000 1.000 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.96609E-03 ppm1 7.287 ppm2 4.237 CV 1 ASSI { 1058} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 2.000 0.200 1.500 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.14879E-02 ppm1 7.285 ppm2 8.542 CV 1 ASSI { 1059} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HG )) 5.200 1.300 0.800 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.11183E-02 ppm1 8.079 ppm2 1.593 CV 1 ASSI { 1063} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB1 )) 4.400 1.000 1.000 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.71578E-03 ppm1 8.546 ppm2 2.470 CV 1 ASSI { 1064} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 4.000 1.600 1.600 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.11513E-02 ppm1 8.543 ppm2 2.816 CV 1 ASSI { 1065} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.88175E-02 ppm1 8.543 ppm2 4.370 CV 1 ASSI { 1067} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HN )) 3.600 1.000 1.000 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.22126E-02 ppm1 8.542 ppm2 8.076 CV 1 ASSI { 1072} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.900 1.000 1.000 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.67728E-02 ppm1 8.542 ppm2 1.501 CV 1 ASSI { 1073} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG )) 4.200 1.000 1.000 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.47601E-02 ppm1 8.542 ppm2 1.589 CV 1 ASSI { 1074} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.900 1.000 0.800 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.29730E-02 ppm1 8.542 ppm2 4.235 CV 1 ASSI { 1080} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HB1 )) 4.000 1.000 1.500 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.36717E-03 ppm1 8.076 ppm2 2.494 CV 1 ASSI { 1081} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HB2 )) 5.000 1.500 1.000 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.38112E-03 ppm1 8.072 ppm2 2.820 CV 1 ASSI { 1083} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 0.800 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.29724E-02 ppm1 8.075 ppm2 3.231 CV 1 ASSI { 1086} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 3.200 1.000 1.000 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.11541E-02 ppm1 8.074 ppm2 4.232 CV 1 ASSI { 1087} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HA )) 4.300 1.000 1.000 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.10756E-02 ppm1 8.079 ppm2 4.359 CV 1 ASSI { 1094} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.900 1.000 1.000 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.13322E-02 ppm1 8.462 ppm2 4.651 CV 1 ASSI { 1095} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG )) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.20174E-02 ppm1 8.455 ppm2 1.280 CV 1 ASSI { 1097} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HA )) 3.500 1.100 1.100 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.97505E-03 ppm1 8.458 ppm2 4.233 CV 1 ASSI { 1099} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) 2.800 1.000 0.600 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.52741E-02 ppm1 8.457 ppm2 8.080 CV 1 ASSI { 1108} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.000 1.000 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.11082E-02 ppm1 8.120 ppm2 4.795 CV 1 ASSI { 1109} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 4.000 1.500 1.000 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.60080E-03 ppm1 8.117 ppm2 8.459 CV 1 ASSI { 1117} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB1 )) 3.300 1.000 1.500 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.78803E-03 ppm1 9.172 ppm2 2.791 CV 1 ASSI { 1118} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.200 1.000 1.500 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.92462E-03 ppm1 9.171 ppm2 3.215 CV 1 ASSI { 1120} (( segid " " and resid 96 and name HN )) (( segid " " and resid 87 and name HA )) 5.000 1.000 1.000 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.48388E-03 ppm1 9.165 ppm2 4.512 CV 1 ASSI { 1124} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 5.000 1.000 1.000 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.48829E-03 ppm1 9.171 ppm2 8.117 CV 1 ASSI { 1129} (( segid " " and resid 97 and name HN )) ( segid " " and resid 126 and name HD2%) 5.000 1.000 1.000 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.51272E-03 ppm1 8.327 ppm2 1.025 CV 1 ASSI { 1131} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG1 )) 5.000 1.500 1.000 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.41337E-03 ppm1 8.332 ppm2 1.192 CV 1 ASSI { 1135} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.300 1.000 1.000 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.11295E-02 ppm1 8.340 ppm2 1.851 CV 1 ASSI { 1137} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 4.300 1.000 1.000 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.83863E-03 ppm1 8.336 ppm2 2.795 CV 1 ASSI { 1139} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 4.500 1.000 1.000 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.39043E-03 ppm1 8.344 ppm2 3.217 CV 1 ASSI { 1140} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.800 1.000 0.800 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.29566E-02 ppm1 8.343 ppm2 4.822 CV 1 ASSI { 1146} (( segid " " and resid 98 and name HN )) ( segid " " and resid 125 and name HG2%) 5.000 1.000 1.000 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.35695E-03 ppm1 9.114 ppm2 0.226 CV 1 ASSI { 1147} (( segid " " and resid 98 and name HN )) ( segid " " and resid 81 and name HG1%) 4.700 1.500 1.000 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.63105E-03 ppm1 9.123 ppm2 0.796 CV 1 ASSI { 1158} (( segid " " and resid 98 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.500 1.000 1.100 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.78662E-03 ppm1 9.122 ppm2 3.083 CV 1 ASSI { 1159} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.600 1.000 1.500 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.86533E-03 ppm1 9.117 ppm2 3.540 CV 1 ASSI { 1160} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.500 1.000 1.500 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.70688E-03 ppm1 9.125 ppm2 3.658 CV 1 ASSI { 1161} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HA )) 4.000 1.000 1.500 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.93902E-03 ppm1 9.115 ppm2 4.421 CV 1 ASSI { 1162} (( segid " " and resid 98 and name HN )) (( segid " " and resid 83 and name HA )) 4.000 1.000 1.000 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.46148E-03 ppm1 9.116 ppm2 4.895 CV 1 ASSI { 1163} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 2.800 1.000 0.800 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.37451E-02 ppm1 9.118 ppm2 5.272 CV 1 ASSI { 1165} (( segid " " and resid 99 and name HN )) ( segid " " and resid 125 and name HG2%) 3.800 1.000 1.000 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.99264E-03 ppm1 9.255 ppm2 0.227 CV 1 ASSI { 1166} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HG1%) 2.900 1.000 1.000 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.23837E-02 ppm1 9.251 ppm2 0.623 CV 1 ASSI { 1167} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HG2%) 3.500 1.500 1.500 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.15948E-02 ppm1 9.251 ppm2 0.852 CV 1 ASSI { 1169} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB )) 2.800 1.000 1.000 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.24689E-02 ppm1 9.251 ppm2 1.947 CV 1 ASSI { 1174} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 2.800 1.000 0.800 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.30961E-02 ppm1 9.254 ppm2 5.363 CV 1 ASSI { 1175} (( segid " " and resid 99 and name HN )) (( segid " " and resid 126 and name HN )) 4.000 1.000 1.000 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.97687E-03 ppm1 9.255 ppm2 9.021 CV 1 ASSI { 1178} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HG2%) 3.800 1.000 1.000 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.99617E-03 ppm1 9.408 ppm2 0.052 CV 1 ASSI { 1180} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HG1%) 3.900 1.000 1.000 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.12729E-02 ppm1 9.408 ppm2 0.624 CV 1 ASSI { 1181} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HG2%) 3.000 1.000 1.500 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.28310E-02 ppm1 9.405 ppm2 0.851 CV 1 ASSI { 1182} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG12)) 3.800 1.000 1.000 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.11625E-02 ppm1 9.404 ppm2 1.061 CV 1 ASSI { 1183} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.15265E-02 ppm1 9.404 ppm2 1.520 CV 1 ASSI { 1184} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB )) 4.700 1.000 1.300 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.47992E-03 ppm1 9.414 ppm2 1.969 CV 1 ASSI { 1185} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 3.600 1.500 1.000 peak 1185 spectrum 1 weight 0.11000E+01 volume 0.76542E-03 ppm1 9.408 ppm2 4.329 CV 1 ASSI { 1186} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.800 1.000 0.700 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.36306E-02 ppm1 9.406 ppm2 4.448 CV 1 ASSI { 1187} (( segid " " and resid 100 and name HN )) (( segid " " and resid 81 and name HA )) 3.500 1.000 1.500 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.60063E-03 ppm1 9.405 ppm2 4.829 CV 1 ASSI { 1189} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 4.300 1.000 1.000 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.26184E-03 ppm1 9.409 ppm2 7.912 CV 1 ASSI { 1190} (( segid " " and resid 100 and name HN )) (( segid " " and resid 80 and name HN )) 3.200 1.000 1.000 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.10581E-02 ppm1 9.409 ppm2 8.781 CV 1 ASSI { 1193} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HG2%) 3.100 1.000 1.000 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.19263E-02 ppm1 7.913 ppm2 0.052 CV 1 ASSI { 1196} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.300 1.000 1.000 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.11822E-02 ppm1 7.908 ppm2 3.500 CV 1 ASSI { 1198} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 2.800 1.000 0.700 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.30009E-02 ppm1 7.909 ppm2 4.312 CV 1 ASSI { 1200} (( segid " " and resid 101 and name HN )) (( segid " " and resid 129 and name HA )) 3.000 1.000 1.000 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.11761E-02 ppm1 7.907 ppm2 5.266 CV 1 ASSI { 1202} (( segid " " and resid 101 and name HN )) (( segid " " and resid 128 and name HN )) 4.400 1.000 1.000 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.41498E-03 ppm1 7.906 ppm2 9.528 CV 1 ASSI { 1203} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.500 1.000 1.000 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.34050E-03 ppm1 7.913 ppm2 9.665 CV 1 ASSI { 1204} (( segid " " and resid 102 and name HN )) ( segid " " and resid 77 and name HG1%) 3.300 1.000 1.000 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.16382E-02 ppm1 9.668 ppm2 0.795 CV 1 ASSI { 1210} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.600 1.000 1.000 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.91429E-03 ppm1 9.668 ppm2 2.777 CV 1 ASSI { 1215} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.000 1.000 1.400 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.72985E-03 ppm1 9.664 ppm2 5.308 CV 1 ASSI { 1221} (( segid " " and resid 102 and name HN )) (( segid " " and resid 78 and name HN )) 4.000 1.300 1.300 peak 1221 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 9.670 ppm2 8.354 CV 1 ASSI { 1224} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 8.316 ppm2 0.774 CV 1 ASSI { 1234} (( segid " " and resid 113 and name HN )) (( segid " " and resid 132 and name HN )) 5.000 1.000 1.000 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.67123E-03 ppm1 8.324 ppm2 9.047 CV 1 ASSI { 1235} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 4.400 1.000 1.000 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.25420E-03 ppm1 8.303 ppm2 9.671 CV 1 ASSI { 1238} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.33672E-02 ppm1 9.166 ppm2 0.764 CV 1 ASSI { 1239} (( segid " " and resid 104 and name HN )) ( segid " " and resid 135 and name HB% ) 3.200 1.000 1.000 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.15985E-02 ppm1 9.167 ppm2 1.048 CV 1 ASSI { 1240} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.35340E-02 ppm1 9.167 ppm2 2.627 CV 1 ASSI { 1241} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.800 1.000 0.800 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.27488E-02 ppm1 9.165 ppm2 3.117 CV 1 ASSI { 1242} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.800 1.000 0.600 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.50450E-02 ppm1 9.166 ppm2 4.215 CV 1 ASSI { 1243} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.000 1.000 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.22158E-02 ppm1 9.165 ppm2 4.333 CV 1 ASSI { 1244} (( segid " " and resid 104 and name HN )) (( segid " " and resid 136 and name HA )) 5.100 1.000 1.000 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.42729E-03 ppm1 9.166 ppm2 4.782 CV 1 ASSI { 1245} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 4.300 1.000 1.000 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.86609E-03 ppm1 9.167 ppm2 6.915 CV 1 ASSI { 1248} (( segid " " and resid 105 and name HN )) ( segid " " and resid 135 and name HB% ) 3.300 1.000 1.000 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.14078E-02 ppm1 6.914 ppm2 1.048 CV 1 ASSI { 1250} (( segid " " and resid 105 and name HN )) ( segid " " and resid 108 and name HB% ) 4.300 1.000 1.500 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.87158E-03 ppm1 6.913 ppm2 1.509 CV 1 ASSI { 1251} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.500 1.000 1.500 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.10428E-02 ppm1 6.904 ppm2 1.672 CV 1 ASSI { 1257} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HA )) 4.500 1.000 1.000 peak 1257 spectrum 1 weight 0.11000E+01 volume 0.80001E-03 ppm1 6.915 ppm2 4.041 CV 1 ASSI { 1260} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.800 1.000 1.000 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.18376E-02 ppm1 6.914 ppm2 4.454 CV 1 ASSI { 1263} (( segid " " and resid 105 and name HN )) (( segid " " and resid 136 and name HN )) 5.000 1.000 1.000 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.30896E-03 ppm1 6.915 ppm2 7.506 CV 1 ASSI { 1264} (( segid " " and resid 105 and name HN )) (( segid " " and resid 132 and name HN )) 3.700 1.000 1.500 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.10542E-02 ppm1 6.910 ppm2 9.050 CV 1 ASSI { 1277} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.18463E-02 ppm1 9.204 ppm2 4.039 CV 1 ASSI { 1278} (( segid " " and resid 106 and name HN )) (( segid " " and resid 133 and name HA )) 4.000 1.500 1.000 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.96007E-03 ppm1 9.204 ppm2 4.342 CV 1 ASSI { 1279} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.800 1.000 0.600 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.46095E-02 ppm1 9.205 ppm2 4.457 CV 1 ASSI { 1281} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 4.400 1.000 1.000 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.57396E-03 ppm1 9.197 ppm2 6.914 CV 1 ASSI { 1294} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HB% ) 3.800 1.000 1.000 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.16239E-02 ppm1 8.232 ppm2 1.514 CV 1 ASSI { 1295} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB1 )) 5.000 1.000 1.000 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.60450E-03 ppm1 8.244 ppm2 1.645 CV 1 ASSI { 1296} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.22816E-02 ppm1 8.232 ppm2 2.515 CV 1 ASSI { 1297} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.000 1.000 1.000 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.20884E-02 ppm1 8.233 ppm2 2.912 CV 1 ASSI { 1298} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.100 1.000 1.000 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.18542E-02 ppm1 8.232 ppm2 4.039 CV 1 ASSI { 1300} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.300 1.000 1.000 peak 1300 spectrum 1 weight 0.11000E+01 volume 0.11858E-02 ppm1 8.234 ppm2 3.915 CV 1 ASSI { 1302} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HA )) 3.600 1.000 1.000 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.11184E-02 ppm1 8.234 ppm2 4.460 CV 1 ASSI { 1303} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.23796E-02 ppm1 8.232 ppm2 4.655 CV 1 ASSI { 1305} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 2.800 1.000 0.800 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.19777E-02 ppm1 8.233 ppm2 9.201 CV 1 ASSI { 1306} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.18836E-02 ppm1 7.505 ppm2 4.650 CV 1 ASSI { 1307} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HG2 )) 2.800 1.000 1.000 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.19944E-02 ppm1 7.503 ppm2 1.380 CV 1 ASSI { 1308} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HG1 )) 3.600 1.500 1.500 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.17845E-02 ppm1 7.502 ppm2 1.340 CV 1 ASSI { 1309} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HB% ) 2.800 1.000 1.000 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.89135E-02 ppm1 7.505 ppm2 1.504 CV 1 ASSI { 1311} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) 4.400 1.000 1.000 peak 1311 spectrum 1 weight 0.11000E+01 volume 0.73249E-03 ppm1 7.502 ppm2 2.513 CV 1 ASSI { 1313} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.200 1.000 1.000 peak 1313 spectrum 1 weight 0.11000E+01 volume 0.86139E-03 ppm1 7.504 ppm2 2.906 CV 1 ASSI { 1314} (( segid " " and resid 108 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.800 1.000 1.000 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.95455E-03 ppm1 7.505 ppm2 3.916 CV 1 ASSI { 1315} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HA )) 3.600 1.000 1.000 peak 1315 spectrum 1 weight 0.11000E+01 volume 0.13962E-02 ppm1 7.505 ppm2 4.036 CV 1 ASSI { 1316} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HA2 )) 4.700 1.000 1.000 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.67017E-03 ppm1 7.503 ppm2 4.254 CV 1 ASSI { 1317} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.800 1.000 1.000 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.39777E-02 ppm1 7.505 ppm2 4.368 CV 1 ASSI { 1319} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 2.800 1.000 1.000 peak 1319 spectrum 1 weight 0.11000E+01 volume 0.60991E-02 ppm1 7.504 ppm2 8.237 CV 1 ASSI { 1322} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HG2%) 2.800 1.000 1.000 peak 1322 spectrum 1 weight 0.11000E+01 volume 0.32241E-02 ppm1 7.923 ppm2 1.227 CV 1 ASSI { 1330} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA2 )) 3.700 1.000 1.000 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.98448E-03 ppm1 7.923 ppm2 4.260 CV 1 ASSI { 1337} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 2.800 1.000 1.000 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.35851E-02 ppm1 7.923 ppm2 8.122 CV 1 ASSI { 1355} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG1 )) 3.300 1.500 1.000 peak 1355 spectrum 1 weight 0.11000E+01 volume 0.29342E-02 ppm1 8.301 ppm2 2.358 CV 1 ASSI { 1359} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.500 1.000 1.500 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.10767E-02 ppm1 8.302 ppm2 8.123 CV 1 ASSI { 1362} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HD2%) 4.600 1.000 1.000 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.16190E-02 ppm1 8.450 ppm2 0.813 CV 1 ASSI { 1371} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 2.800 1.000 1.000 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.27108E-02 ppm1 8.452 ppm2 1.540 CV 1 ASSI { 1375} (( segid " " and resid 115 and name HN )) (( segid " " and resid 129 and name HN )) 3.000 1.000 1.500 peak 1375 spectrum 1 weight 0.11000E+01 volume 0.11629E-02 ppm1 8.450 ppm2 9.167 CV 1 ASSI { 1412} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HN )) 3.700 1.000 1.000 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.50756E-03 ppm1 6.937 ppm2 7.378 CV 1 ASSI { 1414} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.700 1.600 1.500 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.87399E-03 ppm1 6.938 ppm2 3.222 CV 1 ASSI { 1416} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HA )) 5.000 1.000 1.000 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.41252E-03 ppm1 6.931 ppm2 3.950 CV 1 ASSI { 1419} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 2.800 1.000 1.000 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.36611E-02 ppm1 6.938 ppm2 7.674 CV 1 ASSI { 1420} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.23637E-02 ppm1 6.934 ppm2 8.281 CV 1 ASSI { 1423} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HB2 )) 4.100 1.000 1.500 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.66262E-03 ppm1 7.675 ppm2 3.225 CV 1 ASSI { 1428} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HA )) 3.400 1.000 1.500 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.11592E-02 ppm1 7.671 ppm2 3.958 CV 1 ASSI { 1434} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 2.800 1.000 1.000 peak 1434 spectrum 1 weight 0.11000E+01 volume 0.24129E-02 ppm1 7.671 ppm2 7.377 CV 1 ASSI { 1435} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HN )) 4.100 1.000 1.000 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.88389E-03 ppm1 7.669 ppm2 8.288 CV 1 ASSI { 1436} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.500 1.000 1.300 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.98768E-03 ppm1 7.378 ppm2 0.232 CV 1 ASSI { 1437} (( segid " " and resid 125 and name HN )) ( segid " " and resid 119 and name HG1%) 5.000 1.000 1.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.59678E-03 ppm1 7.381 ppm2 0.721 CV 1 ASSI { 1439} (( segid " " and resid 125 and name HN )) (( segid " " and resid 120 and name HB1 )) 3.900 1.000 1.500 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.10169E-02 ppm1 7.379 ppm2 2.800 CV 1 ASSI { 1440} (( segid " " and resid 125 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.300 1.000 1.500 peak 1440 spectrum 1 weight 0.11000E+01 volume 0.12212E-02 ppm1 7.379 ppm2 2.938 CV 1 ASSI { 1441} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.800 1.000 1.000 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.26153E-02 ppm1 7.378 ppm2 3.337 CV 1 ASSI { 1446} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.200 1.000 1.000 peak 1446 spectrum 1 weight 0.11000E+01 volume 0.12039E-02 ppm1 7.379 ppm2 4.922 CV 1 ASSI { 1450} (( segid " " and resid 125 and name HN )) (( segid " " and resid 120 and name HN )) 4.200 1.000 1.500 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.89399E-03 ppm1 7.380 ppm2 9.233 CV 1 ASSI { 1456} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 3.300 1.000 1.000 peak 1456 spectrum 1 weight 0.11000E+01 volume 0.12633E-02 ppm1 9.027 ppm2 1.921 CV 1 ASSI { 1457} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 4.200 1.000 1.000 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.38209E-03 ppm1 9.023 ppm2 3.541 CV 1 ASSI { 1458} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 3.400 1.000 1.000 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.78542E-03 ppm1 9.030 ppm2 4.367 CV 1 ASSI { 1460} (( segid " " and resid 126 and name HN )) (( segid " " and resid 98 and name HA )) 3.300 1.000 1.000 peak 1460 spectrum 1 weight 0.11000E+01 volume 0.93954E-03 ppm1 9.028 ppm2 5.371 CV 1 ASSI { 1461} (( segid " " and resid 126 and name HN )) (( segid " " and resid 97 and name HN )) 3.900 1.000 1.000 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.62574E-03 ppm1 9.031 ppm2 8.320 CV 1 ASSI { 1472} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.300 1.000 1.000 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.11156E-02 ppm1 8.281 ppm2 2.782 CV 1 ASSI { 1473} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.700 1.000 1.000 peak 1473 spectrum 1 weight 0.11000E+01 volume 0.12589E-02 ppm1 8.285 ppm2 2.860 CV 1 ASSI { 1486} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 4.400 1.000 1.100 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.30814E-03 ppm1 8.278 ppm2 9.023 CV 1 ASSI { 1487} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 4.500 1.000 1.000 peak 1487 spectrum 1 weight 0.11000E+01 volume 0.38814E-03 ppm1 8.300 ppm2 9.531 CV 1 ASSI { 1495} (( segid " " and resid 128 and name HN )) ( segid " " and resid 100 and name HD1%) 5.500 1.000 0.500 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.33586E-03 ppm1 9.527 ppm2 0.235 CV 1 ASSI { 1496} (( segid " " and resid 128 and name HN )) ( segid " " and resid 99 and name HG1%) 3.500 1.000 1.000 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.38309E-03 ppm1 9.529 ppm2 0.605 CV 1 ASSI { 1497} (( segid " " and resid 128 and name HN )) ( segid " " and resid 99 and name HG2%) 5.000 1.500 1.000 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.67443E-03 ppm1 9.540 ppm2 0.853 CV 1 ASSI { 1503} (( segid " " and resid 128 and name HN )) (( segid " " and resid 100 and name HA )) 4.000 1.000 1.000 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.89678E-03 ppm1 9.528 ppm2 4.316 CV 1 ASSI { 1506} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD% ) 4.000 1.000 1.000 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.77555E-03 ppm1 9.533 ppm2 6.784 CV 1 ASSI { 1513} (( segid " " and resid 128 and name HN )) (( segid " " and resid 99 and name HN )) 5.000 1.000 1.000 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.43310E-03 ppm1 9.530 ppm2 9.251 CV 1 ASSI { 1516} (( segid " " and resid 129 and name HN )) ( segid " " and resid 115 and name HD2%) 4.900 1.600 1.000 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.96007E-03 ppm1 9.171 ppm2 0.812 CV 1 ASSI { 1520} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.000 1.000 1.000 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.18235E-02 ppm1 9.172 ppm2 3.537 CV 1 ASSI { 1522} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 3.000 1.000 1.000 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.14853E-02 ppm1 9.166 ppm2 5.269 CV 1 ASSI { 1523} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.30206E-02 ppm1 9.170 ppm2 5.448 CV 1 ASSI { 1524} (( segid " " and resid 129 and name HN )) (( segid " " and resid 115 and name HN )) 3.300 1.000 1.500 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.10479E-02 ppm1 9.169 ppm2 8.453 CV 1 ASSI { 1525} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 4.500 1.000 1.000 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.35989E-03 ppm1 9.172 ppm2 8.897 CV 1 ASSI { 1526} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 5.000 1.000 1.000 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.49187E-03 ppm1 9.171 ppm2 9.537 CV 1 ASSI { 1536} (( segid " " and resid 130 and name HN )) (( segid " " and resid 103 and name HN )) 3.900 1.000 1.500 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.65646E-03 ppm1 8.911 ppm2 8.325 CV 1 ASSI { 1537} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.300 1.000 1.000 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 9.484 ppm2 2.801 CV 1 ASSI { 1542} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.400 1.000 1.000 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.18033E-02 ppm1 9.480 ppm2 3.138 CV 1 ASSI { 1543} (( segid " " and resid 131 and name HN )) (( segid " " and resid 114 and name HA )) 3.900 1.000 1.500 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.52876E-03 ppm1 9.474 ppm2 4.086 CV 1 ASSI { 1544} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.800 1.000 1.000 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.29221E-02 ppm1 9.480 ppm2 4.767 CV 1 ASSI { 1545} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.000 1.000 peak 1545 spectrum 1 weight 0.11000E+01 volume 0.11539E-02 ppm1 9.477 ppm2 5.334 CV 1 ASSI { 1547} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HD1 )) 4.500 1.000 1.000 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.43498E-03 ppm1 9.483 ppm2 6.610 CV 1 ASSI { 1548} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HD2 )) 3.900 1.300 1.300 peak 1548 spectrum 1 weight 0.11000E+01 volume 0.99910E-03 ppm1 9.482 ppm2 6.745 CV 1 ASSI { 1551} (( segid " " and resid 131 and name HN )) (( segid " " and resid 115 and name HN )) 4.500 1.000 1.000 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.29050E-03 ppm1 9.477 ppm2 8.450 CV 1 ASSI { 1555} (( segid " " and resid 132 and name HN )) ( segid " " and resid 103 and name HG1%) 5.500 1.000 0.500 peak 1555 spectrum 1 weight 0.11000E+01 volume 0.34858E-03 ppm1 9.045 ppm2 0.532 CV 1 ASSI { 1556} (( segid " " and resid 132 and name HN )) ( segid " " and resid 103 and name HG2%) 4.100 1.000 1.000 peak 1556 spectrum 1 weight 0.11000E+01 volume 0.42606E-03 ppm1 9.047 ppm2 0.761 CV 1 ASSI { 1558} (( segid " " and resid 132 and name HN )) ( segid " " and resid 135 and name HB% ) 3.500 1.000 1.000 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.10157E-02 ppm1 9.054 ppm2 1.067 CV 1 ASSI { 1559} (( segid " " and resid 132 and name HN )) ( segid " " and resid 108 and name HB% ) 4.300 1.000 1.000 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.71276E-03 ppm1 9.050 ppm2 1.512 CV 1 ASSI { 1560} (( segid " " and resid 132 and name HN )) (( segid " " and resid 105 and name HB1 )) 4.800 1.000 1.200 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.34420E-03 ppm1 9.051 ppm2 1.641 CV 1 ASSI { 1563} (( segid " " and resid 132 and name HN )) (( segid " " and resid 104 and name HA )) 3.800 1.000 1.000 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.75734E-03 ppm1 9.045 ppm2 4.333 CV 1 ASSI { 1564} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB )) 3.500 1.000 1.000 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.69405E-03 ppm1 9.052 ppm2 4.017 CV 1 ASSI { 1566} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 3.200 1.000 1.000 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.91205E-03 ppm1 9.053 ppm2 5.095 CV 1 ASSI { 1569} (( segid " " and resid 132 and name HN )) (( segid " " and resid 104 and name HN )) 5.500 1.000 0.500 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.32476E-03 ppm1 9.050 ppm2 9.155 CV 1 ASSI { 1574} (( segid " " and resid 133 and name HN )) ( segid " " and resid 108 and name HB% ) 2.800 1.000 1.000 peak 1574 spectrum 1 weight 0.11000E+01 volume 0.26333E-02 ppm1 9.113 ppm2 1.506 CV 1 ASSI { 1578} (( segid " " and resid 133 and name HN )) (( segid " " and resid 112 and name HB1 )) 4.300 1.500 1.500 peak 1578 spectrum 1 weight 0.11000E+01 volume 0.59029E-03 ppm1 9.112 ppm2 4.243 CV 1 ASSI { 1579} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1579 spectrum 1 weight 0.11000E+01 volume 0.17964E-02 ppm1 9.113 ppm2 4.356 CV 1 ASSI { 1581} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.800 1.000 0.600 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.38030E-02 ppm1 9.114 ppm2 5.096 CV 1 ASSI { 1583} (( segid " " and resid 133 and name HN )) (( segid " " and resid 135 and name HN )) 5.000 1.000 1.000 peak 1583 spectrum 1 weight 0.11000E+01 volume 0.49663E-03 ppm1 9.114 ppm2 6.922 CV 1 ASSI { 1584} (( segid " " and resid 133 and name HN )) (( segid " " and resid 108 and name HN )) 4.500 1.000 1.000 peak 1584 spectrum 1 weight 0.11000E+01 volume 0.46438E-03 ppm1 9.119 ppm2 7.507 CV 1 ASSI { 1585} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 2.800 1.000 0.800 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.17939E-02 ppm1 9.115 ppm2 8.442 CV 1 ASSI { 1591} (( segid " " and resid 134 and name HN )) ( segid " " and resid 19 and name HD1%) 5.000 1.000 1.000 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.49783E-03 ppm1 8.450 ppm2 -0.107 CV 1 ASSI { 1592} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HD1%) 3.200 1.000 1.000 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.15636E-02 ppm1 8.442 ppm2 0.675 CV 1 ASSI { 1596} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 0.800 peak 1596 spectrum 1 weight 0.11000E+01 volume 0.30459E-02 ppm1 8.444 ppm2 1.355 CV 1 ASSI { 1604} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA )) 4.100 1.000 1.000 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.64894E-03 ppm1 8.444 ppm2 5.086 CV 1 ASSI { 1606} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 2.800 1.000 0.800 peak 1606 spectrum 1 weight 0.11000E+01 volume 0.19958E-02 ppm1 8.444 ppm2 6.922 CV 1 ASSI { 1610} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HB% ) 2.800 1.000 0.800 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.44042E-02 ppm1 6.926 ppm2 1.046 CV 1 ASSI { 1614} (( segid " " and resid 135 and name HN )) (( segid " " and resid 104 and name HA )) 3.600 1.000 1.000 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.91628E-03 ppm1 6.922 ppm2 4.336 CV 1 ASSI { 1615} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 3.100 1.000 1.000 peak 1615 spectrum 1 weight 0.11000E+01 volume 0.13052E-02 ppm1 6.924 ppm2 4.472 CV 1 ASSI { 1620} (( segid " " and resid 136 and name HN )) ( segid " " and resid 132 and name HG2%) 4.200 1.000 1.000 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.98698E-03 ppm1 7.517 ppm2 0.942 CV 1 ASSI { 1622} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.11000E+01 volume 0.32285E-02 ppm1 7.514 ppm2 3.161 CV 1 ASSI { 1623} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HA )) 3.800 1.000 1.500 peak 1623 spectrum 1 weight 0.11000E+01 volume 0.86448E-03 ppm1 7.513 ppm2 4.206 CV 1 ASSI { 1625} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 3.100 1.000 1.000 peak 1625 spectrum 1 weight 0.11000E+01 volume 0.14388E-02 ppm1 7.514 ppm2 4.469 CV 1 ASSI { 1626} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.300 1.000 1.000 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.13030E-02 ppm1 7.513 ppm2 4.774 CV 1 ASSI { 1627} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 2.800 1.000 1.000 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.54203E-02 ppm1 7.514 ppm2 6.922 CV 1 ASSI { 1629} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HN )) 5.000 1.000 1.000 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.43043E-03 ppm1 7.510 ppm2 8.446 CV 1 ASSI { 1630} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 4.400 1.000 1.000 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.85831E-03 ppm1 7.513 ppm2 8.854 CV 1 ASSI { 1631} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB1 )) 2.800 1.000 1.000 peak 1631 spectrum 1 weight 0.11000E+01 volume 0.42943E-02 ppm1 6.635 ppm2 1.856 CV 1 ASSI { 1632} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.000 1.000 1.000 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.23588E-02 ppm1 6.635 ppm2 2.008 CV 1 ASSI { 1633} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG2 )) 3.500 1.000 1.000 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.27231E-02 ppm1 6.635 ppm2 2.231 CV 1 ASSI { 1634} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG2 )) 3.900 1.500 1.500 peak 1634 spectrum 1 weight 0.11000E+01 volume 0.19610E-02 ppm1 6.636 ppm2 1.541 CV 1 ASSI { 1635} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.800 1.500 1.000 peak 1635 spectrum 1 weight 0.11000E+01 volume 0.20649E-02 ppm1 6.636 ppm2 1.468 CV 1 ASSI { 1636} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG1 )) 3.500 1.500 1.500 peak 1636 spectrum 1 weight 0.11000E+01 volume 0.15621E-02 ppm1 6.636 ppm2 1.347 CV 1 ASSI { 1642} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 3.700 1.500 1.500 peak 1642 spectrum 1 weight 0.11000E+01 volume 0.11162E-02 ppm1 6.634 ppm2 8.854 CV 1 ASSI { 1643} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.300 1.000 1.000 peak 1643 spectrum 1 weight 0.11000E+01 volume 0.15957E-02 ppm1 8.507 ppm2 6.634 CV 1 ASSI { 1644} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HN )) 3.500 1.500 1.500 peak 1644 spectrum 1 weight 0.11000E+01 volume 0.10608E-02 ppm1 8.505 ppm2 7.783 CV 1 ASSI { 1645} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 2.800 1.000 1.000 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.83120E-02 ppm1 8.506 ppm2 1.874 CV 1 ASSI { 1646} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.400 1.000 1.000 peak 1646 spectrum 1 weight 0.11000E+01 volume 0.61220E-02 ppm1 8.506 ppm2 2.001 CV 1 ASSI { 1654} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HG1%) 3.500 1.500 1.500 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.13073E-02 ppm1 7.787 ppm2 0.841 CV 1 ASSI { 1657} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.000 1.000 1.000 peak 1657 spectrum 1 weight 0.11000E+01 volume 0.91631E-03 ppm1 7.786 ppm2 1.881 CV 1 ASSI { 1658} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.000 1.000 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.21530E-02 ppm1 7.786 ppm2 4.006 CV 1 ASSI { 1680} (( segid " " and resid 6 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.000 1.700 2.000 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.77666E-03 ppm1 9.313 ppm2 2.285 CV 1 ASSI { 1683} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.300 1.000 1.000 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.17822E-02 ppm1 7.450 ppm2 5.266 CV 1 ASSI { 1685} (( segid " " and resid 7 and name HN )) ( segid " " and resid 71 and name HD2%) 5.000 1.300 1.000 peak 1685 spectrum 1 weight 0.11000E+01 volume 0.41845E-03 ppm1 7.445 ppm2 0.588 CV 1 ASSI { 1686} (( segid " " and resid 7 and name HN )) (( segid " " and resid 71 and name HB1 )) 5.000 1.000 1.000 peak 1686 spectrum 1 weight 0.11000E+01 volume 0.52644E-03 ppm1 7.454 ppm2 0.960 CV 1 ASSI { 1687} (( segid " " and resid 7 and name HN )) (( segid " " and resid 71 and name HG )) 5.000 1.000 1.000 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.39657E-03 ppm1 7.448 ppm2 1.331 CV 1 ASSI { 1688} (( segid " " and resid 7 and name HN )) (( segid " " and resid 71 and name HB2 )) 5.000 1.500 1.000 peak 1688 spectrum 1 weight 0.11000E+01 volume 0.50644E-03 ppm1 7.451 ppm2 1.587 CV 1 ASSI { 1690} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.500 1.000 1.000 peak 1690 spectrum 1 weight 0.11000E+01 volume 0.30429E-02 ppm1 7.448 ppm2 1.836 CV 1 ASSI { 1691} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG1 )) 3.500 1.500 1.500 peak 1691 spectrum 1 weight 0.11000E+01 volume 0.23293E-02 ppm1 7.448 ppm2 2.058 CV 1 ASSI { 1693} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.900 1.000 1.000 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.45026E-03 ppm1 7.454 ppm2 3.029 CV 1 ASSI { 1694} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.25290E-02 ppm1 7.448 ppm2 3.768 CV 1 ASSI { 1697} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 3.900 1.500 1.500 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.14926E-02 ppm1 7.447 ppm2 8.694 CV 1 ASSI { 1698} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.26165E-02 ppm1 7.448 ppm2 9.319 CV 1 ASSI { 1708} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HE22)) 1.800 0.200 0.500 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.10448E-01 ppm1 6.611 ppm2 6.897 CV 1 ASSI { 1717} (( segid " " and resid 68 and name HD22)) (( segid " " and resid 68 and name HD21)) 1.800 0.200 0.400 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.51120E-02 ppm1 7.238 ppm2 6.556 CV 1 ASSI { 1718} (( segid " " and resid 7 and name HE22)) (( segid " " and resid 7 and name HE21)) 1.800 0.200 0.500 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.14331E-01 ppm1 6.962 ppm2 6.585 CV 1 ASSI { 1722} (( segid " " and resid 91 and name HD22)) (( segid " " and resid 91 and name HD21)) 1.800 0.200 0.400 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.71449E-02 ppm1 7.591 ppm2 6.974 CV 1 ASSI { 1726} (( segid " " and resid 10 and name HD22)) ( segid " " and resid 13 and name HG2%) 4.100 1.000 1.000 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.86506E-03 ppm1 9.547 ppm2 1.085 CV 1 ASSI { 1727} (( segid " " and resid 10 and name HD22)) ( segid " " and resid 12 and name HB% ) 5.000 1.000 1.000 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.52867E-03 ppm1 9.551 ppm2 1.475 CV 1 ASSI { 1728} (( segid " " and resid 10 and name HD22)) (( segid " " and resid 10 and name HB2 )) 3.100 1.000 1.000 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.50306E-03 ppm1 9.555 ppm2 3.214 CV 1 ASSI { 1729} (( segid " " and resid 10 and name HD21)) (( segid " " and resid 10 and name HB2 )) 2.800 1.000 1.000 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.51487E-03 ppm1 7.197 ppm2 3.214 CV 1 ASSI { 1730} (( segid " " and resid 10 and name HD21)) (( segid " " and resid 10 and name HB1 )) 3.200 1.000 1.000 peak 1730 spectrum 1 weight 0.11000E+01 volume 0.65023E-03 ppm1 7.206 ppm2 2.421 CV 1 ASSI { 1731} (( segid " " and resid 10 and name HD21)) ( segid " " and resid 13 and name HG2%) 4.800 1.500 1.000 peak 1731 spectrum 1 weight 0.11000E+01 volume 0.94277E-03 ppm1 7.197 ppm2 1.085 CV 1 ASSI { 1732} (( segid " " and resid 10 and name HD21)) ( segid " " and resid 12 and name HB% ) 3.900 1.000 1.000 peak 1732 spectrum 1 weight 0.11000E+01 volume 0.86148E-03 ppm1 7.214 ppm2 1.473 CV 1 ASSI { 1737} (( segid " " and resid 10 and name HD22)) (( segid " " and resid 10 and name HB1 )) 2.800 1.000 1.200 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.70556E-03 ppm1 9.550 ppm2 2.406 CV 1 ASSI { 1739} (( segid " " and resid 10 and name HD22)) (( segid " " and resid 10 and name HD21)) 1.800 0.200 0.500 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.32937E-02 ppm1 9.552 ppm2 7.202 CV 1 ASSI { 1749} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.600 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.10659E-02 ppm1 8.861 ppm2 3.009 CV 1 ASSI { 1750} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 20 and name HD21)) 1.800 0.200 0.600 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.30092E-02 ppm1 8.858 ppm2 6.990 CV 1 ASSI { 1754} (( segid " " and resid 20 and name HD21)) (( segid " " and resid 20 and name HB2 )) 3.100 1.000 1.000 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.85916E-03 ppm1 6.990 ppm2 3.012 CV 1 ASSI { 1767} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 4.000 1.000 1.000 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.79085E-03 ppm1 7.365 ppm2 9.206 CV 1 ASSI { 1769} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HG2%) 3.100 1.000 1.000 peak 1769 spectrum 1 weight 0.11000E+01 volume 0.20771E-02 ppm1 6.936 ppm2 0.973 CV 1 ASSI { 1770} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.800 1.000 0.600 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.53167E-02 ppm1 9.048 ppm2 5.337 CV 1 ASSI { 1775} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.000 1.000 peak 1775 spectrum 1 weight 0.11000E+01 volume 0.19934E-02 ppm1 9.156 ppm2 5.065 CV 1 ASSI { 1784} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD% ) 4.000 1.000 1.000 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.74997E-03 ppm1 7.688 ppm2 5.924 CV 1 ASSI { 1785} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HD% ) 4.000 1.000 1.000 peak 1785 spectrum 1 weight 0.11000E+01 volume 0.59490E-03 ppm1 7.034 ppm2 5.919 CV 1 ASSI { 1786} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD% ) 3.500 1.000 1.000 peak 1786 spectrum 1 weight 0.11000E+01 volume 0.11731E-02 ppm1 9.233 ppm2 7.223 CV 1 ASSI { 1792} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.500 1.000 1.000 peak 1792 spectrum 1 weight 0.11000E+01 volume 0.10699E-02 ppm1 9.231 ppm2 2.558 CV 1 ASSI { 1793} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.800 1.000 1.000 peak 1793 spectrum 1 weight 0.11000E+01 volume 0.74539E-03 ppm1 9.237 ppm2 2.673 CV 1 ASSI { 1797} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HD% ) 5.000 1.000 1.000 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.65193E-03 ppm1 8.915 ppm2 6.815 CV 1 ASSI { 1799} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HD% ) 4.000 1.500 1.000 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.80859E-03 ppm1 9.169 ppm2 7.119 CV 1 ASSI { 1801} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG2%) 3.900 1.000 1.300 peak 1801 spectrum 1 weight 0.11000E+01 volume 0.99576E-03 ppm1 8.696 ppm2 1.270 CV 1 ASSI { 1811} (( segid " " and resid 91 and name HD22)) ( segid " " and resid 94 and name HD2%) 3.700 1.000 1.500 peak 1811 spectrum 1 weight 0.11000E+01 volume 0.14599E-02 ppm1 7.592 ppm2 0.812 CV 1 ASSI { 1812} (( segid " " and resid 91 and name HD21)) ( segid " " and resid 94 and name HD2%) 3.700 1.000 1.500 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 6.979 ppm2 0.812 CV 1 ASSI { 1814} (( segid " " and resid 91 and name HD22)) (( segid " " and resid 91 and name HB1 )) 4.000 1.000 1.000 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.10112E-02 ppm1 7.591 ppm2 2.482 CV 1 ASSI { 1817} (( segid " " and resid 91 and name HD22)) (( segid " " and resid 91 and name HB2 )) 3.500 1.000 1.000 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.15811E-02 ppm1 7.590 ppm2 2.816 CV 1 ASSI { 1818} (( segid " " and resid 91 and name HD21)) (( segid " " and resid 91 and name HB2 )) 3.500 1.500 1.000 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.11506E-02 ppm1 6.981 ppm2 2.811 CV 1 ASSI { 1832} (( segid " " and resid 7 and name HE22)) (( segid " " and resid 7 and name HG1 )) 2.800 1.000 1.000 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.17304E-02 ppm1 6.964 ppm2 2.063 CV 1 ASSI { 1833} (( segid " " and resid 7 and name HE22)) (( segid " " and resid 7 and name HB1 )) 2.900 1.000 1.500 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.77426E-03 ppm1 6.961 ppm2 1.841 CV 1 ASSI { 1835} (( segid " " and resid 8 and name HN )) (( segid " " and resid 17 and name HN )) 3.300 1.000 1.500 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.13245E-02 ppm1 8.691 ppm2 9.076 CV 1 ASSI { 1841} (( segid " " and resid 69 and name HE22)) (( segid " " and resid 69 and name HE21)) 1.800 0.200 0.400 peak 1841 spectrum 1 weight 0.11000E+01 volume 0.79329E-02 ppm1 7.646 ppm2 6.991 CV 1 ASSI { 1842} (( segid " " and resid 69 and name HE22)) (( segid " " and resid 69 and name HG1 )) 2.800 1.000 1.000 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.12809E-02 ppm1 7.648 ppm2 2.143 CV 1 ASSI { 1845} (( segid " " and resid 69 and name HE22)) (( segid " " and resid 69 and name HG2 )) 3.500 1.500 1.500 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.12233E-02 ppm1 7.646 ppm2 2.431 CV 1 ASSI { 1857} (( segid " " and resid 3 and name HE21)) (( segid " " and resid 3 and name HE22)) 1.800 0.200 0.700 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.30092E-01 ppm1 6.858 ppm2 7.533 CV 1 ASSI { 1859} (( segid " " and resid 3 and name HE22)) (( segid " " and resid 3 and name HG2 )) 2.800 1.000 1.000 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.22041E-02 ppm1 7.534 ppm2 2.327 CV 1 ASSI { 1861} (( segid " " and resid 3 and name HE22)) (( segid " " and resid 3 and name HB2 )) 4.000 1.000 1.500 peak 1861 spectrum 1 weight 0.11000E+01 volume 0.57957E-03 ppm1 7.532 ppm2 2.098 CV 1 ASSI { 1862} (( segid " " and resid 76 and name HE22)) (( segid " " and resid 76 and name HG1 )) 3.300 1.000 1.000 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.13119E-02 ppm1 7.532 ppm2 2.215 CV 1 ASSI { 1865} (( segid " " and resid 113 and name HE22)) (( segid " " and resid 113 and name HG1 )) 2.800 1.000 1.500 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.24110E-02 ppm1 7.414 ppm2 2.363 CV 1 ASSI { 1867} (( segid " " and resid 7 and name HE21)) (( segid " " and resid 7 and name HG1 )) 2.300 1.000 1.500 peak 1867 spectrum 1 weight 0.11000E+01 volume 0.13760E-02 ppm1 6.587 ppm2 2.064 CV 1 ASSI { 1868} (( segid " " and resid 7 and name HE21)) (( segid " " and resid 7 and name HB1 )) 3.500 1.000 1.500 peak 1868 spectrum 1 weight 0.11000E+01 volume 0.55778E-03 ppm1 6.595 ppm2 1.837 CV 1 ASSI { 1869} (( segid " " and resid 7 and name HE21)) ( segid " " and resid 16 and name HG1%) 5.500 1.000 0.500 peak 1869 spectrum 1 weight 0.11000E+01 volume 0.39369E-03 ppm1 6.589 ppm2 0.507 CV 1 ASSI { 1870} (( segid " " and resid 5 and name HD21)) (( segid " " and resid 5 and name HD22)) 1.800 0.200 0.500 peak 1870 spectrum 1 weight 0.11000E+01 volume 0.69552E-02 ppm1 6.517 ppm2 7.270 CV 1 ASSI { 1872} (( segid " " and resid 5 and name HD22)) (( segid " " and resid 5 and name HB2 )) 4.000 1.000 1.000 peak 1872 spectrum 1 weight 0.11000E+01 volume 0.89769E-03 ppm1 7.269 ppm2 2.806 CV 1 ASSI { 1873} (( segid " " and resid 5 and name HD22)) (( segid " " and resid 5 and name HB2 )) 3.000 1.000 1.000 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.10698E-02 ppm1 7.270 ppm2 2.629 CV 1 ASSI { 1874} (( segid " " and resid 5 and name HD21)) (( segid " " and resid 5 and name HB1 )) 3.600 1.000 1.000 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.64864E-03 ppm1 6.517 ppm2 2.611 CV 1 ASSI { 1875} (( segid " " and resid 5 and name HD21)) (( segid " " and resid 5 and name HB2 )) 4.500 1.000 1.000 peak 1875 spectrum 1 weight 0.11000E+01 volume 0.65299E-03 ppm1 6.517 ppm2 2.802 CV 1 ASSI { 1877} (( segid " " and resid 76 and name HE21)) (( segid " " and resid 76 and name HE22)) 1.800 0.200 1.000 peak 1877 spectrum 1 weight 0.11000E+01 volume 0.34203E-01 ppm1 6.796 ppm2 7.532 CV 1 ASSI { 1880} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 3.300 1.000 1.000 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.14696E-02 ppm1 8.285 ppm2 8.990 CV 1 ASSI { 1885} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) 4.300 1.000 1.000 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.39742E-03 ppm1 8.709 ppm2 4.320 CV 1 ASSI { 1887} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HG1%) 3.000 1.000 1.000 peak 1887 spectrum 1 weight 0.11000E+01 volume 0.23132E-02 ppm1 9.083 ppm2 0.509 CV 1 ASSI { 1898} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) 3.500 1.000 1.000 peak 1898 spectrum 1 weight 0.11000E+01 volume 0.16485E-02 ppm1 9.520 ppm2 1.710 CV 1 ASSI { 1899} (( segid " " and resid 30 and name HN )) (( segid " " and resid 38 and name HB )) 4.700 1.000 1.000 peak 1899 spectrum 1 weight 0.11000E+01 volume 0.92183E-03 ppm1 9.524 ppm2 1.604 CV 1 ASSI { 1900} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.300 1.000 1.000 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.88336E-03 ppm1 9.505 ppm2 2.798 CV 1 ASSI { 1901} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.700 1.000 1.000 peak 1901 spectrum 1 weight 0.11000E+01 volume 0.12341E-02 ppm1 9.504 ppm2 3.088 CV 1 ASSI { 1904} (( segid " " and resid 30 and name HN )) (( segid " " and resid 39 and name HA )) 4.000 1.000 1.500 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.11551E-02 ppm1 9.515 ppm2 5.202 CV 1 ASSI { 1913} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 4.400 1.100 1.000 peak 1913 spectrum 1 weight 0.11000E+01 volume 0.14748E-02 ppm1 8.793 ppm2 9.222 CV 1 ASSI { 1918} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 0.700 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.48685E-02 ppm1 8.625 ppm2 1.687 CV 1 ASSI { 1919} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG2 )) 3.200 1.000 1.000 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.13592E-02 ppm1 8.624 ppm2 1.314 CV 1 ASSI { 1930} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HD% ) 3.400 1.000 1.000 peak 1930 spectrum 1 weight 0.11000E+01 volume 0.69449E-03 ppm1 8.545 ppm2 7.068 CV 1 ASSI { 1932} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB1 )) 2.800 1.000 0.800 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.37622E-02 ppm1 8.076 ppm2 3.046 CV 1 ASSI { 1935} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 0.600 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.49478E-02 ppm1 8.322 ppm2 5.318 CV 1 ASSI { 1945} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB1 )) 2.800 1.000 1.000 peak 1945 spectrum 1 weight 0.11000E+01 volume 0.30206E-02 ppm1 8.300 ppm2 1.670 CV 1 ASSI { 1946} (( segid " " and resid 115 and name HN )) (( segid " " and resid 130 and name HA )) 4.000 1.000 1.000 peak 1946 spectrum 1 weight 0.11000E+01 volume 0.84289E-03 ppm1 8.453 ppm2 4.765 CV 1 ASSI { 1947} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD1%) 4.500 1.000 1.000 peak 1947 spectrum 1 weight 0.11000E+01 volume 0.82518E-03 ppm1 8.733 ppm2 -0.014 CV 1 ASSI { 1959} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.700 1.000 1.000 peak 1959 spectrum 1 weight 0.11000E+01 volume 0.91511E-03 ppm1 8.284 ppm2 1.667 CV 1 ASSI { 1960} (( segid " " and resid 122 and name HN )) ( segid " " and resid 90 and name HB% ) 5.000 1.000 1.000 peak 1960 spectrum 1 weight 0.11000E+01 volume 0.50697E-03 ppm1 8.277 ppm2 1.347 CV 1 ASSI { 1961} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.800 1.000 1.000 peak 1961 spectrum 1 weight 0.11000E+01 volume 0.30115E-02 ppm1 8.284 ppm2 3.359 CV 1 ASSI { 1962} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.800 1.000 1.000 peak 1962 spectrum 1 weight 0.11000E+01 volume 0.24141E-02 ppm1 8.283 ppm2 3.217 CV 1 ASSI { 1963} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 1963 spectrum 1 weight 0.11000E+01 volume 0.25257E-02 ppm1 8.284 ppm2 4.261 CV 1 ASSI { 1966} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HA )) 3.400 1.000 1.500 peak 1966 spectrum 1 weight 0.11000E+01 volume 0.81179E-03 ppm1 8.281 ppm2 4.927 CV 1 ASSI { 1968} (( segid " " and resid 127 and name HN )) ( segid " " and resid 116 and name HD1%) 3.500 1.000 1.000 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.12524E-02 ppm1 8.289 ppm2 -0.011 CV 1 ASSI { 1969} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 3.000 1.000 1.500 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.60773E-03 ppm1 8.283 ppm2 5.058 CV 1 ASSI { 1970} (( segid " " and resid 127 and name HN )) (( segid " " and resid 119 and name HA )) 3.100 1.000 1.100 peak 1970 spectrum 1 weight 0.11000E+01 volume 0.61349E-03 ppm1 8.287 ppm2 4.760 CV 1 ASSI { 1971} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.700 1.000 1.000 peak 1971 spectrum 1 weight 0.11000E+01 volume 0.10142E-02 ppm1 9.533 ppm2 2.643 CV 1 ASSI { 1972} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 1972 spectrum 1 weight 0.11000E+01 volume 0.35108E-02 ppm1 9.526 ppm2 5.060 CV 1 ASSI { 1974} (( segid " " and resid 130 and name HN )) ( segid " " and resid 103 and name HG1%) 3.500 1.000 1.800 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.82186E-03 ppm1 8.908 ppm2 0.528 CV 1 ASSI { 1975} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) 3.700 1.000 1.000 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 8.906 ppm2 2.166 CV 1 ASSI { 1977} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.800 1.000 1.000 peak 1977 spectrum 1 weight 0.11000E+01 volume 0.10664E-02 ppm1 8.908 ppm2 3.031 CV 1 ASSI { 1978} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 3.100 1.000 1.000 peak 1978 spectrum 1 weight 0.11000E+01 volume 0.50409E-03 ppm1 8.905 ppm2 4.786 CV 1 ASSI { 1980} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 5.000 1.000 1.000 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.32908E-03 ppm1 8.915 ppm2 9.489 CV 1 ASSI { 1982} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 5.000 1.000 1.000 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.39680E-03 ppm1 9.480 ppm2 9.040 CV 1 ASSI { 1983} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG )) 3.100 1.000 0.700 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.15876E-02 ppm1 9.113 ppm2 6.381 CV 1 ASSI { 1984} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HG1 )) 3.000 1.300 1.300 peak 1984 spectrum 1 weight 0.11000E+01 volume 0.15993E-02 ppm1 8.446 ppm2 6.383 CV 1 ASSI { 1985} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB1 )) 2.800 1.000 0.800 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.34661E-02 ppm1 7.513 ppm2 3.002 CV 1 ASSI { 1986} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 1986 spectrum 1 weight 0.11000E+01 volume 0.31601E-02 ppm1 8.858 ppm2 1.548 CV 1 ASSI { 1987} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 2.900 1.000 1.000 peak 1987 spectrum 1 weight 0.11000E+01 volume 0.31169E-02 ppm1 8.855 ppm2 1.461 CV 1 ASSI { 1988} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG1 )) 3.400 1.000 1.000 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.14452E-02 ppm1 8.858 ppm2 1.345 CV 1 ASSI { 1989} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 3.300 1.000 1.000 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.17717E-02 ppm1 8.855 ppm2 3.008 CV 1 ASSI { 1994} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB )) 3.900 1.500 1.000 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.78515E-03 ppm1 8.839 ppm2 1.709 CV 1 ASSI { 1997} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG12)) 4.900 1.000 1.000 peak 1997 spectrum 1 weight 0.11000E+01 volume 0.66597E-03 ppm1 8.835 ppm2 1.232 CV 1 ASSI { 1998} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.800 1.000 1.000 peak 1998 spectrum 1 weight 0.11000E+01 volume 0.21779E-02 ppm1 8.053 ppm2 4.359 CV 1 ASSI { 2000} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.000 1.000 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.40262E-02 ppm1 8.055 ppm2 1.852 CV 1 ASSI { 2001} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 3.100 1.000 1.000 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.28237E-02 ppm1 8.053 ppm2 1.622 CV 1 ASSI { 2005} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 4.300 1.000 1.000 peak 2005 spectrum 1 weight 0.11000E+01 volume 0.10413E-02 ppm1 8.887 ppm2 1.615 CV 1 ASSI { 2006} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG2 )) 4.400 1.000 1.000 peak 2006 spectrum 1 weight 0.11000E+01 volume 0.99209E-03 ppm1 8.890 ppm2 1.372 CV 1 ASSI { 2007} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HD1%) 3.700 1.200 1.500 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.66215E-03 ppm1 8.881 ppm2 0.624 CV 1 ASSI { 2009} (( segid " " and resid 82 and name HN )) (( segid " " and resid 99 and name HA )) 3.600 1.000 1.000 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.10005E-02 ppm1 9.506 ppm2 4.446 CV 1 ASSI { 2012} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 2012 spectrum 1 weight 0.11000E+01 volume 0.24031E-02 ppm1 9.319 ppm2 3.770 CV 1 ASSI { 2013} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.200 1.000 1.000 peak 2013 spectrum 1 weight 0.11000E+01 volume 0.73881E-03 ppm1 9.316 ppm2 3.668 CV 1 ASSI { 2014} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 2014 spectrum 1 weight 0.11000E+01 volume 0.11702E-02 ppm1 9.316 ppm2 4.665 CV 1 ASSI { 2022} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HD2 )) 5.000 1.500 1.000 peak 2022 spectrum 1 weight 0.11000E+01 volume 0.11737E-02 ppm1 8.252 ppm2 3.779 CV 1 ASSI { 2023} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HD1 )) 4.800 1.000 1.000 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.12895E-02 ppm1 8.252 ppm2 3.636 CV 1 ASSI { 2024} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA1 )) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.54430E-02 ppm1 8.252 ppm2 4.105 CV 1 ASSI { 2025} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.000 1.000 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.78859E-02 ppm1 8.252 ppm2 4.368 CV 1 ASSI { 2026} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA2 )) 2.800 1.000 1.000 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.57164E-02 ppm1 8.252 ppm2 4.264 CV 1 ASSI { 2028} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 2028 spectrum 1 weight 0.11000E+01 volume 0.18177E-02 ppm1 8.252 ppm2 7.505 CV 1 ASSI { 2029} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HG )) 3.500 1.000 1.000 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.10876E-02 ppm1 8.252 ppm2 4.720 CV 1 ASSI { 2030} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 112 and name HB1 )) 2.800 1.000 1.000 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.24825E-02 ppm1 9.455 ppm2 4.240 CV 1 ASSI { 2031} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 132 and name HB )) 3.800 1.000 1.000 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.11806E-02 ppm1 9.459 ppm2 4.021 CV 1 ASSI { 2033} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 130 and name HD1 )) 3.200 1.000 1.000 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.11627E-02 ppm1 9.451 ppm2 6.607 CV 1 ASSI { 2036} (( segid " " and resid 130 and name HE1 )) ( segid " " and resid 132 and name HG2%) 4.500 1.000 1.000 peak 2036 spectrum 1 weight 0.11000E+01 volume 0.67948E-03 ppm1 9.451 ppm2 0.942 CV 1 ASSI { 2037} (( segid " " and resid 130 and name HE1 )) ( segid " " and resid 22 and name HD2%) 5.200 1.500 0.800 peak 2037 spectrum 1 weight 0.11000E+01 volume 0.64421E-03 ppm1 9.448 ppm2 0.586 CV 1 ASSI { 2038} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 113 and name HN )) 5.000 1.000 1.000 peak 2038 spectrum 1 weight 0.11000E+01 volume 0.43428E-03 ppm1 9.449 ppm2 8.309 CV 1 ASSI { 2040} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 132 and name HG1 )) 5.000 1.000 1.000 peak 2040 spectrum 1 weight 0.11000E+01 volume 0.51604E-03 ppm1 9.450 ppm2 6.377 CV 1 ASSI { 2041} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA1 )) 4.400 1.000 1.000 peak 2041 spectrum 1 weight 0.11000E+01 volume 0.71458E-03 ppm1 7.924 ppm2 4.108 CV 1 ASSI { 2042} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.800 1.000 1.000 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.25224E-02 ppm1 8.625 ppm2 3.805 CV 1 ASSI { 2043} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HD2 )) 4.300 1.000 1.000 peak 2043 spectrum 1 weight 0.11000E+01 volume 0.94932E-03 ppm1 7.210 ppm2 3.637 CV 1 ASSI { 2051} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB )) 2.800 1.000 1.000 peak 2051 spectrum 1 weight 0.11000E+01 volume 0.28937E-02 ppm1 8.065 ppm2 2.046 CV 1 ASSI { 2052} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA1 )) 4.000 1.000 1.000 peak 2052 spectrum 1 weight 0.11000E+01 volume 0.86703E-03 ppm1 8.064 ppm2 3.818 CV 1 ASSI { 2056} (( segid " " and resid 53 and name HN )) (( segid " " and resid 45 and name HG2 )) 4.800 1.000 1.000 peak 2056 spectrum 1 weight 0.11000E+01 volume 0.98718E-03 ppm1 8.065 ppm2 1.947 CV 1 ASSI { 2057} (( segid " " and resid 53 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.500 1.000 1.300 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.68257E-03 ppm1 8.064 ppm2 1.747 CV 1 ASSI { 2058} (( segid " " and resid 53 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.900 1.000 1.100 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.52365E-03 ppm1 8.068 ppm2 1.643 CV 1 ASSI { 2059} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 3.300 1.000 1.000 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.14732E-02 ppm1 8.068 ppm2 9.762 CV 1 ASSI { 2063} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 20 and name HB1 )) 3.100 1.100 1.100 peak 2063 spectrum 1 weight 0.11000E+01 volume 0.81423E-03 ppm1 8.862 ppm2 2.356 CV 1 ASSI { 2064} (( segid " " and resid 113 and name HE21)) (( segid " " and resid 113 and name HE22)) 1.800 0.200 0.700 peak 2064 spectrum 1 weight 0.11000E+01 volume 0.25618E-01 ppm1 6.803 ppm2 7.410 CV 1 ASSI { 2066} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HD% ) 4.000 1.000 1.000 peak 2066 spectrum 1 weight 0.11000E+01 volume 0.76083E-03 ppm1 8.281 ppm2 7.029 CV 1 ASSI { 2072} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE3 )) 4.000 1.500 1.500 peak 2072 spectrum 1 weight 0.11000E+01 volume 0.93432E-03 ppm1 7.223 ppm2 6.585 CV 1 ASSI { 2074} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD% ) 4.900 1.000 1.000 peak 2074 spectrum 1 weight 0.11000E+01 volume 0.60004E-03 ppm1 8.793 ppm2 6.754 CV 1 ASSI { 2075} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.52224E-02 ppm1 8.800 ppm2 5.199 CV 1 ASSI { 2076} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HD% ) 4.500 1.500 1.000 peak 2076 spectrum 1 weight 0.11000E+01 volume 0.47131E-03 ppm1 8.676 ppm2 6.827 CV 1 ASSI { 2077} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HE% ) 4.000 1.000 1.000 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.84175E-03 ppm1 9.234 ppm2 7.079 CV 1 ASSI { 2078} (( segid " " and resid 82 and name HN )) (( segid " " and resid 98 and name HN )) 3.300 1.000 1.000 peak 2078 spectrum 1 weight 0.11000E+01 volume 0.12748E-02 ppm1 9.504 ppm2 9.114 CV 1 ASSI { 2080} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.900 1.000 1.000 peak 2080 spectrum 1 weight 0.11000E+01 volume 0.64491E-03 ppm1 9.077 ppm2 4.654 CV 1 ASSI { 2083} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.300 1.000 1.000 peak 2083 spectrum 1 weight 0.11000E+01 volume 0.98880E-03 ppm1 7.685 ppm2 3.374 CV 1 ASSI { 2088} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG11)) 3.000 1.000 1.000 peak 2088 spectrum 1 weight 0.11000E+01 volume 0.16771E-02 ppm1 7.053 ppm2 1.071 CV 1 ASSI { 2089} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG12)) 2.900 1.000 1.000 peak 2089 spectrum 1 weight 0.11000E+01 volume 0.18743E-02 ppm1 7.050 ppm2 1.292 CV 1 ASSI { 2090} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 2.800 1.000 1.000 peak 2090 spectrum 1 weight 0.11000E+01 volume 0.21766E-02 ppm1 7.050 ppm2 1.432 CV 1 ASSI { 2091} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HB1 )) 4.000 1.000 1.000 peak 2091 spectrum 1 weight 0.11000E+01 volume 0.94759E-03 ppm1 7.052 ppm2 2.846 CV 1 ASSI { 2092} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HB2 )) 4.000 1.000 1.000 peak 2092 spectrum 1 weight 0.11000E+01 volume 0.83520E-03 ppm1 7.044 ppm2 3.257 CV 1 ASSI { 2093} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA2 )) 4.000 1.000 1.000 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.79772E-03 ppm1 7.051 ppm2 4.019 CV 1 ASSI { 2094} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 3.500 1.000 1.000 peak 2094 spectrum 1 weight 0.11000E+01 volume 0.12068E-02 ppm1 7.050 ppm2 3.916 CV 1 ASSI { 2098} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HB )) 3.700 1.000 1.000 peak 2098 spectrum 1 weight 0.11000E+01 volume 0.76069E-03 ppm1 7.049 ppm2 4.201 CV 1 ASSI { 2102} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HN )) 4.000 1.000 1.000 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.42873E-03 ppm1 7.053 ppm2 8.520 CV 1 ASSI { 2108} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA1 )) 3.300 1.000 1.000 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.10762E-02 ppm1 7.365 ppm2 3.729 CV 1 ASSI { 2110} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.500 1.000 1.000 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.11306E-02 ppm1 8.077 ppm2 1.893 CV 1 ASSI { 2111} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG1 )) 4.600 1.000 1.000 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.16176E-02 ppm1 8.078 ppm2 1.451 CV 1 ASSI { 2115} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG2 )) 5.000 1.000 1.000 peak 2115 spectrum 1 weight 0.11000E+01 volume 0.50741E-03 ppm1 9.210 ppm2 2.111 CV 1 ASSI { 2117} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.300 1.000 1.000 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.14901E-02 ppm1 8.538 ppm2 4.012 CV 1 ASSI { 2120} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) 5.000 1.500 1.000 peak 2120 spectrum 1 weight 0.11000E+01 volume 0.57493E-03 ppm1 8.544 ppm2 3.249 CV 1 ASSI { 2121} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) 3.200 1.000 1.000 peak 2121 spectrum 1 weight 0.11000E+01 volume 0.17028E-02 ppm1 8.534 ppm2 1.805 CV 1 ASSI { 2122} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HD1%) 3.200 1.000 1.000 peak 2122 spectrum 1 weight 0.11000E+01 volume 0.18158E-02 ppm1 8.543 ppm2 0.730 CV 1 ASSI { 2123} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.800 1.000 0.800 peak 2123 spectrum 1 weight 0.11000E+01 volume 0.32864E-02 ppm1 8.538 ppm2 1.997 CV 1 ASSI { 2124} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG1 )) 3.900 1.000 1.500 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.18640E-02 ppm1 8.540 ppm2 2.110 CV 1 ASSI { 2125} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.800 1.000 0.800 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.23350E-02 ppm1 8.535 ppm2 4.749 CV 1 ASSI { 2126} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 3.600 1.000 1.300 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.17113E-02 ppm1 7.363 ppm2 4.199 CV 1 ASSI { 2127} (( segid " " and resid 19 and name HN )) ( segid " " and resid 71 and name HD1%) 4.500 1.000 1.000 peak 2127 spectrum 1 weight 0.11000E+01 volume 0.73757E-03 ppm1 7.985 ppm2 0.489 CV 1 ASSI { 2128} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG )) 4.400 1.000 1.500 peak 2128 spectrum 1 weight 0.11000E+01 volume 0.11624E-02 ppm1 7.990 ppm2 0.863 CV 1 ASSI { 2132} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD1 )) 3.200 1.000 1.000 peak 2132 spectrum 1 weight 0.11000E+01 volume 0.18006E-02 ppm1 7.715 ppm2 3.771 CV 1 ASSI { 2136} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB1 )) 4.000 1.000 1.000 peak 2136 spectrum 1 weight 0.11000E+01 volume 0.72926E-03 ppm1 6.857 ppm2 1.794 CV 1 ASSI { 2137} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HD2 )) 5.000 1.000 1.000 peak 2137 spectrum 1 weight 0.11000E+01 volume 0.61055E-03 ppm1 6.845 ppm2 3.849 CV 1 ASSI { 2138} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HD1 )) 3.400 1.000 1.600 peak 2138 spectrum 1 weight 0.11000E+01 volume 0.59402E-03 ppm1 6.853 ppm2 3.845 CV 1 ASSI { 2142} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.900 1.000 1.000 peak 2142 spectrum 1 weight 0.11000E+01 volume 0.20444E-02 ppm1 9.072 ppm2 1.727 CV 1 ASSI { 2143} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 2143 spectrum 1 weight 0.11000E+01 volume 0.20780E-02 ppm1 9.075 ppm2 1.794 CV 1 ASSI { 2145} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG2 )) 3.400 1.500 1.500 peak 2145 spectrum 1 weight 0.11000E+01 volume 0.13412E-02 ppm1 8.384 ppm2 1.417 CV 1 ASSI { 2154} (( segid " " and resid 79 and name HE22)) ( segid " " and resid 77 and name HG2%) 3.300 1.000 2.000 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.13251E-02 ppm1 6.901 ppm2 0.821 CV 1 ASSI { 2155} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 77 and name HG2%) 3.700 1.000 1.500 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.14601E-02 ppm1 6.612 ppm2 0.836 CV 1 ASSI { 2157} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HG2 )) 3.600 1.000 1.000 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.77191E-03 ppm1 9.059 ppm2 2.437 CV 1 ASSI { 2163} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HB% ) 3.000 1.000 1.000 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.28795E-02 ppm1 8.796 ppm2 0.974 CV 1 ASSI { 2167} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA2 )) 2.900 1.000 1.000 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.21587E-02 ppm1 8.398 ppm2 4.118 CV 1 ASSI { 2169} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.400 1.000 1.000 peak 2169 spectrum 1 weight 0.11000E+01 volume 0.95347E-03 ppm1 8.090 ppm2 9.078 CV 1 ASSI { 2172} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.600 1.000 1.600 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.58242E-03 ppm1 8.102 ppm2 2.744 CV 1 ASSI { 2173} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.500 1.000 1.000 peak 2173 spectrum 1 weight 0.11000E+01 volume 0.46729E-03 ppm1 8.098 ppm2 2.398 CV 1 ASSI { 2178} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 2.900 1.000 1.000 peak 2178 spectrum 1 weight 0.11000E+01 volume 0.26464E-02 ppm1 7.689 ppm2 9.150 CV 1 ASSI { 2185} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HD2%) 3.700 1.000 1.000 peak 2185 spectrum 1 weight 0.11000E+01 volume 0.10641E-02 ppm1 9.153 ppm2 0.813 CV 1 ASSI { 2198} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HN )) 4.400 1.000 1.100 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.42080E-03 ppm1 8.733 ppm2 9.145 CV 1 ASSI { 2199} (( segid " " and resid 117 and name HN )) (( segid " " and resid 128 and name HA )) 3.400 1.000 1.000 peak 2199 spectrum 1 weight 0.11000E+01 volume 0.11592E-02 ppm1 9.152 ppm2 5.455 CV 1 ASSI { 2202} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG )) 4.400 1.100 1.000 peak 2202 spectrum 1 weight 0.11000E+01 volume 0.30879E-02 ppm1 8.737 ppm2 0.914 CV 1 ASSI { 2204} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HD2%) 5.000 1.000 1.000 peak 2204 spectrum 1 weight 0.11000E+01 volume 0.46162E-03 ppm1 9.153 ppm2 0.539 CV 1 ASSI { 2206} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HG )) 3.800 1.000 1.000 peak 2206 spectrum 1 weight 0.11000E+01 volume 0.95655E-03 ppm1 9.155 ppm2 0.924 CV 1 ASSI { 2213} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) 4.700 1.000 1.000 peak 2213 spectrum 1 weight 0.11000E+01 volume 0.93878E-03 ppm1 7.213 ppm2 4.290 CV 1 ASSI { 2217} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 3.000 1.000 1.000 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.12593E-02 ppm1 8.067 ppm2 4.269 CV 1 ASSI { 2223} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) 4.400 1.000 1.500 peak 2223 spectrum 1 weight 0.11000E+01 volume 0.94533E-03 ppm1 7.163 ppm2 6.451 CV 1 ASSI { 2224} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 2224 spectrum 1 weight 0.11000E+01 volume 0.30629E-02 ppm1 7.712 ppm2 4.180 CV 1 ASSI { 2225} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 2225 spectrum 1 weight 0.11000E+01 volume 0.56309E-02 ppm1 7.712 ppm2 4.220 CV 1 ASSI { 2226} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 2.800 1.000 1.000 peak 2226 spectrum 1 weight 0.11000E+01 volume 0.23894E-02 ppm1 7.712 ppm2 2.081 CV 1 ASSI { 2227} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.900 1.000 1.000 peak 2227 spectrum 1 weight 0.11000E+01 volume 0.23894E-02 ppm1 7.712 ppm2 2.081 CV 1 ASSI { 2228} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.000 1.000 1.000 peak 2228 spectrum 1 weight 0.11000E+01 volume 0.69983E-03 ppm1 7.712 ppm2 2.311 CV 1 ASSI { 2229} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.300 1.000 1.000 peak 2229 spectrum 1 weight 0.11000E+01 volume 0.13280E-02 ppm1 7.711 ppm2 1.969 CV 1 ASSI { 2233} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.100 1.000 1.000 peak 2233 spectrum 1 weight 0.11000E+01 volume 0.11614E-02 ppm1 8.548 ppm2 2.425 CV 1 ASSI { 2239} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 4.100 1.000 1.000 peak 2239 spectrum 1 weight 0.11000E+01 volume 0.60104E-03 ppm1 6.713 ppm2 4.327 CV 1 ASSI { 2240} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HG2%) 3.300 1.000 1.000 peak 2240 spectrum 1 weight 0.11000E+01 volume 0.10857E-02 ppm1 8.705 ppm2 1.090 CV 1 ASSI { 2243} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB )) 3.600 1.000 1.000 peak 2243 spectrum 1 weight 0.11000E+01 volume 0.11447E-02 ppm1 8.926 ppm2 1.800 CV 1 ASSI { 2248} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.500 1.500 1.000 peak 2248 spectrum 1 weight 0.11000E+01 volume 0.17296E-02 ppm1 6.290 ppm2 2.378 CV 1 ASSI { 2251} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG1 )) 3.500 1.000 1.000 peak 2251 spectrum 1 weight 0.11000E+01 volume 0.27557E-02 ppm1 6.292 ppm2 2.218 CV 1 ASSI { 2252} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.800 1.000 0.500 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.52873E-02 ppm1 6.289 ppm2 3.363 CV 1 ASSI { 2254} (( segid " " and resid 76 and name HE21)) (( segid " " and resid 76 and name HG1 )) 2.800 1.000 1.000 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.11905E-02 ppm1 6.796 ppm2 2.220 CV 1 ASSI { 2259} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG1 )) 5.000 1.000 1.000 peak 2259 spectrum 1 weight 0.11000E+01 volume 0.91094E-03 ppm1 7.558 ppm2 2.215 CV 1 ASSI { 2260} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.200 1.000 1.000 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.16951E-02 ppm1 7.551 ppm2 3.365 CV 1 ASSI { 2261} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG2 )) 5.000 1.000 1.000 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.79273E-03 ppm1 7.545 ppm2 2.375 CV 1 ASSI { 2264} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.300 1.000 1.000 peak 2264 spectrum 1 weight 0.11000E+01 volume 0.13398E-02 ppm1 8.202 ppm2 1.953 CV 1 ASSI { 2265} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.300 1.000 1.000 peak 2265 spectrum 1 weight 0.11000E+01 volume 0.13398E-02 ppm1 8.203 ppm2 1.951 CV 1 ASSI { 2266} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.37084E-02 ppm1 6.597 ppm2 1.408 CV 1 ASSI { 2308} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 4.300 1.000 1.000 peak 2308 spectrum 1 weight 0.11000E+01 volume 0.49692E-02 ppm1 6.601 ppm2 1.954 CV 1 ASSI { 2311} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.700 1.000 1.000 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.10361E-02 ppm1 8.083 ppm2 1.630 CV 1 ASSI { 2314} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 4.100 1.000 1.000 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.12002E-02 ppm1 8.624 ppm2 1.552 CV 1 ASSI { 2315} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 2315 spectrum 1 weight 0.11000E+01 volume 0.56347E-02 ppm1 8.626 ppm2 4.191 CV 1 ASSI { 2319} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG1%) 3.400 1.000 1.000 peak 2319 spectrum 1 weight 0.11000E+01 volume 0.26820E-02 ppm1 8.625 ppm2 0.654 CV 1 ASSI { 2320} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG1%) 3.200 1.000 1.000 peak 2320 spectrum 1 weight 0.11000E+01 volume 0.30820E-02 ppm1 8.081 ppm2 0.651 CV 1 ASSI { 2323} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG2 )) 4.900 1.500 1.000 peak 2323 spectrum 1 weight 0.11000E+01 volume 0.39457E-03 ppm1 8.446 ppm2 2.316 CV 1 ASSI { 2326} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.500 1.000 1.000 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.11924E-02 ppm1 8.440 ppm2 2.618 CV 1 ASSI { 2327} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.300 1.000 1.000 peak 2327 spectrum 1 weight 0.11000E+01 volume 0.14122E-02 ppm1 8.437 ppm2 2.492 CV 1 ASSI { 2328} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.800 1.000 0.800 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.55055E-02 ppm1 8.438 ppm2 4.369 CV 1 ASSI { 2329} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 3.200 1.000 1.000 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.15363E-02 ppm1 8.437 ppm2 4.651 CV 1 ASSI { 2330} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HN )) 4.100 1.500 1.000 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.44189E-03 ppm1 8.444 ppm2 8.543 CV 1 ASSI { 2332} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.500 1.000 1.000 peak 2332 spectrum 1 weight 0.11000E+01 volume 0.88448E-03 ppm1 8.444 ppm2 2.086 CV 1 ASSI { 2333} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB1 )) 4.800 1.000 1.000 peak 2333 spectrum 1 weight 0.11000E+01 volume 0.54738E-03 ppm1 8.436 ppm2 1.964 CV 1 ASSI { 2334} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.100 1.000 1.000 peak 2334 spectrum 1 weight 0.11000E+01 volume 0.60256E-03 ppm1 8.669 ppm2 2.494 CV 1 ASSI { 2335} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 4.100 1.500 1.000 peak 2335 spectrum 1 weight 0.11000E+01 volume 0.13245E-02 ppm1 8.672 ppm2 2.617 CV 1 ASSI { 2336} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.700 1.000 1.000 peak 2336 spectrum 1 weight 0.11000E+01 volume 0.57361E-03 ppm1 8.666 ppm2 2.798 CV 1 ASSI { 2337} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 2337 spectrum 1 weight 0.11000E+01 volume 0.30238E-02 ppm1 8.666 ppm2 4.652 CV 1 ASSI { 2339} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HN )) 4.000 1.200 1.200 peak 2339 spectrum 1 weight 0.11000E+01 volume 0.53199E-03 ppm1 8.677 ppm2 7.449 CV 1 ASSI { 2341} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 4.600 1.300 1.000 peak 2341 spectrum 1 weight 0.11000E+01 volume 0.68917E-03 ppm1 8.676 ppm2 8.427 CV 1 ASSI { 2342} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 3.700 1.500 1.500 peak 2342 spectrum 1 weight 0.11000E+01 volume 0.12888E-02 ppm1 8.670 ppm2 9.321 CV 1 ASSI { 2349} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HA )) 4.000 1.000 1.000 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.52573E-03 ppm1 7.452 ppm2 4.658 CV 1 ASSI { 2352} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB )) 3.500 1.000 1.000 peak 2352 spectrum 1 weight 0.11000E+01 volume 0.10355E-02 ppm1 8.532 ppm2 3.711 CV 1 ASSI { 2353} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG1%) 4.500 1.000 1.000 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.60342E-03 ppm1 8.533 ppm2 0.715 CV 1 ASSI { 2354} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HG2%) 3.300 1.000 1.600 peak 2354 spectrum 1 weight 0.11000E+01 volume 0.14095E-02 ppm1 7.853 ppm2 0.829 CV 1 ASSI { 2355} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG1%) 3.300 1.000 1.500 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.12608E-02 ppm1 7.850 ppm2 0.717 CV 1 ASSI { 2356} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB )) 3.600 1.000 1.000 peak 2356 spectrum 1 weight 0.11000E+01 volume 0.13865E-02 ppm1 7.849 ppm2 2.087 CV 1 ASSI { 2365} (( segid " " and resid 138 and name HE22)) (( segid " " and resid 138 and name HG1 )) 3.600 1.000 1.000 peak 2365 spectrum 1 weight 0.11000E+01 volume 0.11722E-02 ppm1 7.457 ppm2 2.224 CV 1 ASSI { 2366} (( segid " " and resid 8 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.800 1.000 1.200 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.66189E-03 ppm1 8.685 ppm2 2.868 CV 1 ASSI { 2367} (( segid " " and resid 8 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.600 1.000 1.400 peak 2367 spectrum 1 weight 0.11000E+01 volume 0.42106E-03 ppm1 8.685 ppm2 2.664 CV 1 ASSI { 2375} (( segid " " and resid 18 and name HN )) ( segid " " and resid 134 and name HD2%) 3.900 1.000 1.000 peak 2375 spectrum 1 weight 0.11000E+01 volume 0.55220E-03 ppm1 8.544 ppm2 0.855 CV 1 ASSI { 2376} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.000 1.000 peak 2376 spectrum 1 weight 0.11000E+01 volume 0.63469E-03 ppm1 8.919 ppm2 4.902 CV 1 ASSI { 2378} (( segid " " and resid 28 and name HN )) (( segid " " and resid 40 and name HB2 )) 5.000 1.000 1.000 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.48086E-03 ppm1 9.225 ppm2 1.329 CV 1 ASSI { 2380} (( segid " " and resid 28 and name HN )) (( segid " " and resid 40 and name HN )) 3.300 1.000 1.500 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.12488E-02 ppm1 9.225 ppm2 8.782 CV 1 ASSI { 2381} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HD1%) 5.000 2.000 1.000 peak 2381 spectrum 1 weight 0.11000E+01 volume 0.55510E-03 ppm1 8.861 ppm2 0.484 CV 1 ASSI { 2384} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HG2%) 3.000 1.000 1.500 peak 2384 spectrum 1 weight 0.11000E+01 volume 0.22306E-02 ppm1 8.869 ppm2 0.997 CV 1 ASSI { 2386} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 1.000 1.000 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.79857E-03 ppm1 8.847 ppm2 5.012 CV 1 ASSI { 2395} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 2.800 1.000 1.000 peak 2395 spectrum 1 weight 0.11000E+01 volume 0.38497E-02 ppm1 8.693 ppm2 1.868 CV 1 ASSI { 2399} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG11)) 5.500 1.000 0.500 peak 2399 spectrum 1 weight 0.11000E+01 volume 0.45070E-03 ppm1 8.045 ppm2 1.238 CV 1 ASSI { 2400} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 2.800 1.000 1.000 peak 2400 spectrum 1 weight 0.11000E+01 volume 0.28237E-02 ppm1 8.053 ppm2 1.619 CV 1 ASSI { 2401} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 0.800 peak 2401 spectrum 1 weight 0.11000E+01 volume 0.39093E-02 ppm1 8.053 ppm2 1.850 CV 1 ASSI { 2402} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.800 1.000 0.800 peak 2402 spectrum 1 weight 0.11000E+01 volume 0.20095E-02 ppm1 8.054 ppm2 9.084 CV 1 ASSI { 2406} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.700 1.000 1.500 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.53240E-03 ppm1 9.066 ppm2 1.834 CV 1 ASSI { 2407} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.800 1.000 1.000 peak 2407 spectrum 1 weight 0.11000E+01 volume 0.50148E-03 ppm1 9.070 ppm2 1.627 CV 1 ASSI { 2416} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 3.300 1.000 2.700 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.95332E-03 ppm1 8.091 ppm2 4.352 CV 1 ASSI { 2417} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG1 )) 5.500 1.000 0.500 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.32843E-03 ppm1 8.093 ppm2 1.276 CV 1 ASSI { 2419} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 4.500 1.000 1.000 peak 2419 spectrum 1 weight 0.11000E+01 volume 0.47628E-03 ppm1 8.379 ppm2 8.101 CV 1 ASSI { 2421} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 4.500 1.000 1.000 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.30335E-03 ppm1 8.375 ppm2 9.457 CV 1 ASSI { 2424} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.000 1.000 1.000 peak 2424 spectrum 1 weight 0.11000E+01 volume 0.14820E-02 ppm1 9.466 ppm2 1.604 CV 1 ASSI { 2427} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HN )) 4.400 1.000 1.100 peak 2427 spectrum 1 weight 0.11000E+01 volume 0.31924E-03 ppm1 9.471 ppm2 8.274 CV 1 ASSI { 2431} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.300 1.000 1.400 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.98075E-03 ppm1 8.890 ppm2 1.752 CV 1 ASSI { 2432} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.600 1.000 1.000 peak 2432 spectrum 1 weight 0.11000E+01 volume 0.58538E-03 ppm1 8.884 ppm2 5.193 CV 1 ASSI { 2433} (( segid " " and resid 39 and name HN )) (( segid " " and resid 58 and name HN )) 3.900 1.000 1.000 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.43287E-03 ppm1 8.897 ppm2 8.534 CV 1 ASSI { 2438} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HD2 )) 5.000 1.000 1.000 peak 2438 spectrum 1 weight 0.11000E+01 volume 0.80054E-03 ppm1 8.788 ppm2 3.023 CV 1 ASSI { 2439} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) 3.100 1.000 1.000 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.14107E-02 ppm1 8.794 ppm2 2.218 CV 1 ASSI { 2440} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 2440 spectrum 1 weight 0.11000E+01 volume 0.21394E-02 ppm1 8.794 ppm2 1.926 CV 1 ASSI { 2443} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG )) 3.700 1.500 1.500 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.75481E-03 ppm1 8.785 ppm2 1.229 CV 1 ASSI { 2452} (( segid " " and resid 55 and name HN )) (( segid " " and resid 64 and name HN )) 4.500 1.000 1.000 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.30174E-03 ppm1 7.174 ppm2 8.802 CV 1 ASSI { 2455} (( segid " " and resid 56 and name HN )) (( segid " " and resid 40 and name HB2 )) 4.200 1.000 1.000 peak 2455 spectrum 1 weight 0.11000E+01 volume 0.47205E-03 ppm1 9.157 ppm2 1.353 CV 1 ASSI { 2457} (( segid " " and resid 56 and name HN )) (( segid " " and resid 39 and name HB2 )) 4.500 1.500 1.000 peak 2457 spectrum 1 weight 0.11000E+01 volume 0.67619E-03 ppm1 9.152 ppm2 1.749 CV 1 ASSI { 2458} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) 3.500 1.000 1.000 peak 2458 spectrum 1 weight 0.11000E+01 volume 0.59038E-03 ppm1 9.157 ppm2 3.058 CV 1 ASSI { 2459} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.000 1.500 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.47716E-03 ppm1 9.152 ppm2 3.198 CV 1 ASSI { 2460} (( segid " " and resid 56 and name HN )) (( segid " " and resid 38 and name HA )) 5.500 1.000 0.500 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.35043E-03 ppm1 9.149 ppm2 4.610 CV 1 ASSI { 2461} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 4.400 1.000 1.000 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.34879E-03 ppm1 9.157 ppm2 8.537 CV 1 ASSI { 2464} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) 3.500 1.000 1.000 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.75138E-03 ppm1 8.541 ppm2 2.850 CV 1 ASSI { 2475} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.800 1.000 1.000 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.62142E-03 ppm1 9.046 ppm2 2.270 CV 1 ASSI { 2477} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 4.000 1.000 1.000 peak 2477 spectrum 1 weight 0.11000E+01 volume 0.51778E-03 ppm1 8.381 ppm2 2.151 CV 1 ASSI { 2479} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.800 1.000 1.000 peak 2479 spectrum 1 weight 0.11000E+01 volume 0.13282E-02 ppm1 8.852 ppm2 0.955 CV 1 ASSI { 2480} (( segid " " and resid 73 and name HN )) ( segid " " and resid 8 and name HG2%) 4.000 1.000 1.000 peak 2480 spectrum 1 weight 0.11000E+01 volume 0.34259E-02 ppm1 8.915 ppm2 1.267 CV 1 ASSI { 2481} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HG )) 5.000 1.000 1.000 peak 2481 spectrum 1 weight 0.11000E+01 volume 0.49440E-03 ppm1 8.667 ppm2 1.279 CV 1 ASSI { 2483} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HE21)) 5.300 1.000 1.000 peak 2483 spectrum 1 weight 0.11000E+01 volume 0.73155E-03 ppm1 8.930 ppm2 6.771 CV 1 ASSI { 2484} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 4.300 1.000 1.000 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.58694E-03 ppm1 8.927 ppm2 7.543 CV 1 ASSI { 2485} (( segid " " and resid 76 and name HE21)) (( segid " " and resid 76 and name HN )) 5.000 1.700 1.000 peak 2485 spectrum 1 weight 0.11000E+01 volume 0.33948E-03 ppm1 6.791 ppm2 6.302 CV 1 ASSI { 2486} (( segid " " and resid 76 and name HE22)) (( segid " " and resid 76 and name HN )) 5.000 1.500 1.000 peak 2486 spectrum 1 weight 0.11000E+01 volume 0.33739E-03 ppm1 7.531 ppm2 6.291 CV 1 ASSI { 2490} (( segid " " and resid 79 and name HN )) ( segid " " and resid 74 and name HG2%) 4.000 1.000 1.500 peak 2490 spectrum 1 weight 0.11000E+01 volume 0.87314E-03 ppm1 9.043 ppm2 0.702 CV 1 ASSI { 2492} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD2%) 3.900 1.000 1.000 peak 2492 spectrum 1 weight 0.11000E+01 volume 0.74204E-03 ppm1 8.778 ppm2 1.194 CV 1 ASSI { 2493} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) 2.800 1.000 1.000 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.73931E-03 ppm1 8.778 ppm2 1.354 CV 1 ASSI { 2496} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 5.000 1.000 1.000 peak 2496 spectrum 1 weight 0.11000E+01 volume 0.35921E-03 ppm1 8.782 ppm2 9.035 CV 1 ASSI { 2500} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG2 )) 4.800 1.500 1.000 peak 2500 spectrum 1 weight 0.11000E+01 volume 0.72453E-03 ppm1 8.792 ppm2 2.063 CV 1 ASSI { 2507} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HG2%) 3.200 1.000 1.000 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.18046E-02 ppm1 9.609 ppm2 0.885 CV 1 ASSI { 2509} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD2%) 3.500 1.500 1.500 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.44476E-03 ppm1 9.611 ppm2 1.189 CV 1 ASSI { 2511} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HG2%) 4.300 1.500 1.500 peak 2511 spectrum 1 weight 0.11000E+01 volume 0.22700E-02 ppm1 9.505 ppm2 0.889 CV 1 ASSI { 2512} (( segid " " and resid 84 and name HN )) (( segid " " and resid 95 and name HD2 )) 4.000 1.000 1.000 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.58112E-03 ppm1 9.435 ppm2 1.742 CV 1 ASSI { 2513} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.000 1.500 1.500 peak 2513 spectrum 1 weight 0.11000E+01 volume 0.26910E-02 ppm1 9.438 ppm2 1.922 CV 1 ASSI { 2514} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.500 1.000 1.000 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.81079E-03 ppm1 9.434 ppm2 2.932 CV 1 ASSI { 2516} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG1 )) 4.100 1.000 1.000 peak 2516 spectrum 1 weight 0.11000E+01 volume 0.28403E-02 ppm1 9.436 ppm2 2.076 CV 1 ASSI { 2518} (( segid " " and resid 97 and name HN )) ( segid " " and resid 125 and name HG2%) 5.000 1.000 1.000 peak 2518 spectrum 1 weight 0.11000E+01 volume 0.46773E-03 ppm1 8.337 ppm2 0.225 CV 1 ASSI { 2520} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG2 )) 3.700 1.000 1.000 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.50233E-03 ppm1 8.325 ppm2 1.402 CV 1 ASSI { 2523} (( segid " " and resid 97 and name HN )) (( segid " " and resid 124 and name HB2 )) 4.500 1.000 1.000 peak 2523 spectrum 1 weight 0.11000E+01 volume 0.64967E-03 ppm1 8.340 ppm2 2.443 CV 1 ASSI { 2524} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HD% ) 5.000 1.000 1.000 peak 2524 spectrum 1 weight 0.11000E+01 volume 0.44899E-03 ppm1 8.332 ppm2 7.102 CV 1 ASSI { 2525} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HN )) 4.900 1.000 1.000 peak 2525 spectrum 1 weight 0.11000E+01 volume 0.56004E-03 ppm1 8.350 ppm2 9.146 CV 1 ASSI { 2528} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 4.100 1.500 1.000 peak 2528 spectrum 1 weight 0.11000E+01 volume 0.18525E-02 ppm1 9.122 ppm2 1.855 CV 1 ASSI { 2529} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG1 )) 4.000 1.000 1.000 peak 2529 spectrum 1 weight 0.11000E+01 volume 0.59640E-03 ppm1 9.116 ppm2 1.212 CV 1 ASSI { 2530} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.500 1.000 1.000 peak 2530 spectrum 1 weight 0.11000E+01 volume 0.19138E-02 ppm1 9.119 ppm2 1.853 CV 1 ASSI { 2533} (( segid " " and resid 99 and name HN )) (( segid " " and resid 127 and name HA )) 3.500 1.000 1.000 peak 2533 spectrum 1 weight 0.11000E+01 volume 0.69188E-03 ppm1 9.253 ppm2 5.056 CV 1 ASSI { 2539} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.400 1.000 1.000 peak 2539 spectrum 1 weight 0.11000E+01 volume 0.10812E-02 ppm1 9.229 ppm2 2.940 CV 1 ASSI { 2540} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 3.000 1.000 1.000 peak 2540 spectrum 1 weight 0.11000E+01 volume 0.13711E-02 ppm1 9.226 ppm2 2.798 CV 1 ASSI { 2541} (( segid " " and resid 120 and name HN )) (( segid " " and resid 126 and name HA )) 3.900 1.000 1.100 peak 2541 spectrum 1 weight 0.11000E+01 volume 0.68632E-03 ppm1 9.237 ppm2 4.379 CV 1 ASSI { 2543} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.800 1.000 0.800 peak 2543 spectrum 1 weight 0.11000E+01 volume 0.24196E-02 ppm1 9.231 ppm2 4.760 CV 1 ASSI { 2545} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HN )) 4.700 1.000 1.000 peak 2545 spectrum 1 weight 0.11000E+01 volume 0.60333E-03 ppm1 9.226 ppm2 8.266 CV 1 ASSI { 2546} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 4.400 1.000 1.100 peak 2546 spectrum 1 weight 0.11000E+01 volume 0.35175E-03 ppm1 9.412 ppm2 9.254 CV 1 ASSI { 2548} (( segid " " and resid 101 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.200 1.000 1.500 peak 2548 spectrum 1 weight 0.11000E+01 volume 0.64618E-03 ppm1 7.914 ppm2 2.832 CV 1 ASSI { 2550} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.000 1.000 1.000 peak 2550 spectrum 1 weight 0.11000E+01 volume 0.12569E-02 ppm1 7.904 ppm2 3.734 CV 1 ASSI { 2551} (( segid " " and resid 101 and name HN )) (( segid " " and resid 130 and name HN )) 3.900 1.000 1.100 peak 2551 spectrum 1 weight 0.11000E+01 volume 0.44782E-03 ppm1 7.906 ppm2 8.903 CV 1 ASSI { 2554} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG12)) 5.500 1.000 0.500 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.28521E-03 ppm1 7.903 ppm2 1.067 CV 1 ASSI { 2563} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB1 )) 2.500 1.000 1.500 peak 2563 spectrum 1 weight 0.11000E+01 volume 0.64121E-03 ppm1 9.674 ppm2 2.320 CV 1 ASSI { 2564} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 4.400 1.000 1.100 peak 2564 spectrum 1 weight 0.11000E+01 volume 0.28615E-03 ppm1 9.674 ppm2 3.746 CV 1 ASSI { 2565} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.600 1.000 1.500 peak 2565 spectrum 1 weight 0.11000E+01 volume 0.80365E-03 ppm1 9.670 ppm2 3.498 CV 1 ASSI { 2567} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD% ) 3.400 1.000 1.000 peak 2567 spectrum 1 weight 0.11000E+01 volume 0.11851E-02 ppm1 9.669 ppm2 6.568 CV 1 ASSI { 2571} (( segid " " and resid 113 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.100 1.000 1.000 peak 2571 spectrum 1 weight 0.11000E+01 volume 0.74868E-03 ppm1 8.307 ppm2 2.790 CV 1 ASSI { 2572} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 2572 spectrum 1 weight 0.11000E+01 volume 0.59989E-02 ppm1 8.302 ppm2 4.242 CV 1 ASSI { 2573} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 0.600 peak 2573 spectrum 1 weight 0.11000E+01 volume 0.98495E-02 ppm1 8.301 ppm2 4.476 CV 1 ASSI { 2579} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 5.000 1.000 1.000 peak 2579 spectrum 1 weight 0.11000E+01 volume 0.38447E-03 ppm1 9.172 ppm2 8.321 CV 1 ASSI { 2580} (( segid " " and resid 105 and name HN )) ( segid " " and resid 132 and name HG2%) 5.000 1.000 1.000 peak 2580 spectrum 1 weight 0.11000E+01 volume 0.35660E-03 ppm1 6.911 ppm2 0.943 CV 1 ASSI { 2581} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.100 1.000 1.000 peak 2581 spectrum 1 weight 0.11000E+01 volume 0.87429E-03 ppm1 6.918 ppm2 1.757 CV 1 ASSI { 2582} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.800 1.000 0.500 peak 2582 spectrum 1 weight 0.11000E+01 volume 0.71901E-02 ppm1 6.913 ppm2 4.340 CV 1 ASSI { 2583} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.800 1.000 1.000 peak 2583 spectrum 1 weight 0.11000E+01 volume 0.11939E-02 ppm1 6.910 ppm2 3.121 CV 1 ASSI { 2586} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.500 1.000 1.000 peak 2586 spectrum 1 weight 0.11000E+01 volume 0.78938E-03 ppm1 6.910 ppm2 2.625 CV 1 ASSI { 2588} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HG2%) 3.700 1.000 1.000 peak 2588 spectrum 1 weight 0.11000E+01 volume 0.11510E-02 ppm1 8.121 ppm2 1.226 CV 1 ASSI { 2593} (( segid " " and resid 112 and name HN )) (( segid " " and resid 108 and name HA )) 4.500 1.500 1.500 peak 2593 spectrum 1 weight 0.11000E+01 volume 0.58811E-03 ppm1 8.124 ppm2 4.361 CV 1 ASSI { 2595} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 3.100 1.000 1.000 peak 2595 spectrum 1 weight 0.11000E+01 volume 0.15258E-02 ppm1 7.673 ppm2 4.256 CV 1 ASSI { 2596} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA )) 4.000 1.000 1.000 peak 2596 spectrum 1 weight 0.11000E+01 volume 0.14989E-02 ppm1 7.676 ppm2 4.254 CV 1 ASSI { 2597} (( segid " " and resid 124 and name HN )) ( segid " " and resid 119 and name HG1%) 5.000 1.000 1.000 peak 2597 spectrum 1 weight 0.11000E+01 volume 0.46394E-03 ppm1 7.666 ppm2 0.718 CV 1 ASSI { 2598} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.700 1.000 1.000 peak 2598 spectrum 1 weight 0.11000E+01 volume 0.64565E-03 ppm1 7.671 ppm2 1.581 CV 1 ASSI { 2599} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.800 1.000 1.000 peak 2599 spectrum 1 weight 0.11000E+01 volume 0.48697E-02 ppm1 7.672 ppm2 3.336 CV 1 ASSI { 2601} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 4.000 1.000 1.000 peak 2601 spectrum 1 weight 0.11000E+01 volume 0.32371E-03 ppm1 7.673 ppm2 2.431 CV 1 ASSI { 2604} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 2604 spectrum 1 weight 0.11000E+01 volume 0.33918E-02 ppm1 9.025 ppm2 4.925 CV 1 ASSI { 2606} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 2606 spectrum 1 weight 0.11000E+01 volume 0.33375E-02 ppm1 8.286 ppm2 4.380 CV 1 ASSI { 2607} (( segid " " and resid 127 and name HN )) ( segid " " and resid 126 and name HD1%) 4.600 1.500 1.500 peak 2607 spectrum 1 weight 0.11000E+01 volume 0.87734E-03 ppm1 8.279 ppm2 0.708 CV 1 ASSI { 2609} (( segid " " and resid 127 and name HN )) ( segid " " and resid 126 and name HD2%) 4.600 1.000 1.000 peak 2609 spectrum 1 weight 0.11000E+01 volume 0.48697E-03 ppm1 8.282 ppm2 1.012 CV 1 ASSI { 2610} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB2 )) 3.700 1.000 1.000 peak 2610 spectrum 1 weight 0.11000E+01 volume 0.10714E-02 ppm1 8.276 ppm2 1.933 CV 1 ASSI { 2614} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.100 1.000 1.000 peak 2614 spectrum 1 weight 0.11000E+01 volume 0.15628E-02 ppm1 9.527 ppm2 2.821 CV 1 ASSI { 2615} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.800 1.000 1.000 peak 2615 spectrum 1 weight 0.11000E+01 volume 0.13665E-02 ppm1 9.529 ppm2 2.783 CV 1 ASSI { 2616} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.300 1.000 1.000 peak 2616 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 9.531 ppm2 2.858 CV 1 ASSI { 2617} (( segid " " and resid 128 and name HN )) ( segid " " and resid 116 and name HD1%) 5.500 1.000 0.500 peak 2617 spectrum 1 weight 0.11000E+01 volume 0.47628E-03 ppm1 9.527 ppm2 -0.009 CV 1 ASSI { 2618} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 3.600 1.000 1.000 peak 2618 spectrum 1 weight 0.11000E+01 volume 0.61948E-03 ppm1 9.523 ppm2 5.453 CV 1 ASSI { 2620} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.100 1.000 1.000 peak 2620 spectrum 1 weight 0.11000E+01 volume 0.68204E-03 ppm1 9.174 ppm2 2.824 CV 1 ASSI { 2621} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) 4.100 1.000 1.000 peak 2621 spectrum 1 weight 0.11000E+01 volume 0.10135E-02 ppm1 9.170 ppm2 2.646 CV 1 ASSI { 2623} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 2.800 1.000 0.700 peak 2623 spectrum 1 weight 0.11000E+01 volume 0.44626E-02 ppm1 8.904 ppm2 5.268 CV 1 ASSI { 2627} (( segid " " and resid 130 and name HN )) ( segid " " and resid 103 and name HG2%) 4.700 1.500 1.000 peak 2627 spectrum 1 weight 0.11000E+01 volume 0.50250E-03 ppm1 8.901 ppm2 0.789 CV 1 ASSI { 2629} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.800 1.000 1.000 peak 2629 spectrum 1 weight 0.11000E+01 volume 0.75995E-03 ppm1 9.051 ppm2 3.131 CV 1 ASSI { 2630} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 4.000 1.000 1.000 peak 2630 spectrum 1 weight 0.11000E+01 volume 0.83332E-03 ppm1 9.046 ppm2 2.802 CV 1 ASSI { 2631} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 2.800 1.000 1.000 peak 2631 spectrum 1 weight 0.11000E+01 volume 0.29566E-02 ppm1 9.113 ppm2 4.023 CV 1 ASSI { 2632} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.200 1.000 1.000 peak 2632 spectrum 1 weight 0.11000E+01 volume 0.18423E-02 ppm1 9.114 ppm2 3.922 CV 1 ASSI { 2634} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.800 1.000 0.700 peak 2634 spectrum 1 weight 0.11000E+01 volume 0.40990E-02 ppm1 8.735 ppm2 4.539 CV 1 ASSI { 2636} (( segid " " and resid 116 and name HN )) ( segid " " and resid 115 and name HD2%) 2.800 1.000 1.500 peak 2636 spectrum 1 weight 0.11000E+01 volume 0.32476E-02 ppm1 8.737 ppm2 0.816 CV 1 ASSI { 2638} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB1 )) 3.200 1.000 1.500 peak 2638 spectrum 1 weight 0.11000E+01 volume 0.24473E-02 ppm1 8.736 ppm2 1.502 CV 1 ASSI { 2640} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.900 1.000 1.100 peak 2640 spectrum 1 weight 0.11000E+01 volume 0.10702E-02 ppm1 8.738 ppm2 4.258 CV 1 ASSI { 2642} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 3.300 1.000 1.000 peak 2642 spectrum 1 weight 0.11000E+01 volume 0.14046E-02 ppm1 7.688 ppm2 4.221 CV 1 ASSI { 2647} (( segid " " and resid 118 and name HN )) ( segid " " and resid 117 and name HD2%) 4.300 1.000 1.000 peak 2647 spectrum 1 weight 0.11000E+01 volume 0.10003E-02 ppm1 7.686 ppm2 0.811 CV 1 ASSI { 2648} (( segid " " and resid 118 and name HN )) ( segid " " and resid 117 and name HD1%) 4.300 1.500 1.000 peak 2648 spectrum 1 weight 0.11000E+01 volume 0.75352E-03 ppm1 7.697 ppm2 0.743 CV 1 ASSI { 2651} (( segid " " and resid 118 and name HN )) ( segid " " and resid 116 and name HD2%) 5.000 1.000 1.000 peak 2651 spectrum 1 weight 0.11000E+01 volume 0.48943E-03 ppm1 7.694 ppm2 0.532 CV 1 ASSI { 2652} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HG )) 3.700 1.000 1.000 peak 2652 spectrum 1 weight 0.11000E+01 volume 0.10524E-02 ppm1 7.690 ppm2 0.917 CV 1 ASSI { 2654} (( segid " " and resid 118 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.500 1.000 1.500 peak 2654 spectrum 1 weight 0.11000E+01 volume 0.12021E-02 ppm1 7.691 ppm2 2.866 CV 1 ASSI { 2656} (( segid " " and resid 118 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.500 1.000 1.000 peak 2656 spectrum 1 weight 0.11000E+01 volume 0.10999E-02 ppm1 7.684 ppm2 2.786 CV 1 ASSI { 2657} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 3.500 1.000 1.000 peak 2657 spectrum 1 weight 0.11000E+01 volume 0.11434E-02 ppm1 7.686 ppm2 3.727 CV 1 ASSI { 2658} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.300 1.000 1.000 peak 2658 spectrum 1 weight 0.11000E+01 volume 0.14587E-02 ppm1 7.691 ppm2 4.411 CV 1 ASSI { 2659} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.000 1.000 peak 2659 spectrum 1 weight 0.11000E+01 volume 0.23153E-02 ppm1 7.688 ppm2 1.440 CV 1 ASSI { 2660} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.000 1.000 1.000 peak 2660 spectrum 1 weight 0.11000E+01 volume 0.20162E-02 ppm1 7.689 ppm2 1.505 CV 1 ASSI { 2662} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.300 1.000 1.000 peak 2662 spectrum 1 weight 0.11000E+01 volume 0.20483E-02 ppm1 9.151 ppm2 1.440 CV 1 ASSI { 2663} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.300 1.000 1.000 peak 2663 spectrum 1 weight 0.11000E+01 volume 0.14393E-02 ppm1 9.150 ppm2 1.505 CV 1 ASSI { 2664} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.400 1.000 1.000 peak 2664 spectrum 1 weight 0.11000E+01 volume 0.11434E-02 ppm1 7.688 ppm2 3.728 CV 1 ASSI { 2665} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.800 1.000 0.800 peak 2665 spectrum 1 weight 0.11000E+01 volume 0.42318E-02 ppm1 8.251 ppm2 4.416 CV 1 ASSI { 2666} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) 4.100 1.500 1.000 peak 2666 spectrum 1 weight 0.11000E+01 volume 0.30688E-02 ppm1 8.250 ppm2 3.724 CV 1 ASSI { 2669} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB )) 2.900 1.000 1.000 peak 2669 spectrum 1 weight 0.11000E+01 volume 0.19391E-02 ppm1 8.250 ppm2 1.933 CV 1 ASSI { 2689} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 2.800 1.000 1.000 peak 2689 spectrum 1 weight 0.11000E+01 volume 0.14025E-02 ppm1 9.000 ppm2 1.673 CV 1 ASSI { 2692} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) 4.400 1.000 1.100 peak 2692 spectrum 1 weight 0.11000E+01 volume 0.26321E-03 ppm1 8.998 ppm2 2.791 CV 1 ASSI { 2693} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.400 1.000 1.000 peak 2693 spectrum 1 weight 0.11000E+01 volume 0.20416E-03 ppm1 8.999 ppm2 2.915 CV 1 ASSI { 2695} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HG1 )) 5.500 1.000 0.500 peak 2695 spectrum 1 weight 0.11000E+01 volume 0.31149E-03 ppm1 8.279 ppm2 2.221 CV 1 ASSI { 2697} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HG1 )) 5.500 1.000 0.500 peak 2697 spectrum 1 weight 0.11000E+01 volume 0.29956E-03 ppm1 8.286 ppm2 2.109 CV 1 ASSI { 2698} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 5.000 1.000 1.000 peak 2698 spectrum 1 weight 0.11000E+01 volume 0.59801E-03 ppm1 8.290 ppm2 1.992 CV 1 ASSI { 2703} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 4.200 1.000 1.000 peak 2703 spectrum 1 weight 0.11000E+01 volume 0.24134E-03 ppm1 7.764 ppm2 3.762 CV 1 ASSI { 2705} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB1 )) 3.300 1.100 1.100 peak 2705 spectrum 1 weight 0.11000E+01 volume 0.59989E-02 ppm1 8.302 ppm2 4.240 CV 1 ASSI { 2707} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.000 1.000 1.000 peak 2707 spectrum 1 weight 0.11000E+01 volume 0.82163E-03 ppm1 8.443 ppm2 4.013 CV 1 ASSI { 2708} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 3.300 1.000 1.000 peak 2708 spectrum 1 weight 0.11000E+01 volume 0.31448E-02 ppm1 8.443 ppm2 4.356 CV 1 ASSI { 2709} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.200 1.000 1.000 peak 2709 spectrum 1 weight 0.11000E+01 volume 0.25580E-03 ppm1 8.446 ppm2 3.917 CV 1 ASSI { 2711} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB )) 3.900 1.000 1.000 peak 2711 spectrum 1 weight 0.11000E+01 volume 0.29566E-02 ppm1 9.114 ppm2 4.023 CV 1 ASSI { 2712} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HD2%) 4.600 1.500 1.000 peak 2712 spectrum 1 weight 0.11000E+01 volume 0.76236E-03 ppm1 6.925 ppm2 0.846 CV 1 ASSI { 2713} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HD1%) 5.000 1.000 1.000 peak 2713 spectrum 1 weight 0.11000E+01 volume 0.41346E-03 ppm1 6.926 ppm2 0.672 CV 1 ASSI { 2714} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG )) 5.000 1.000 1.000 peak 2714 spectrum 1 weight 0.11000E+01 volume 0.50333E-03 ppm1 6.931 ppm2 1.518 CV 1 ASSI { 2717} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HB1 )) 5.000 1.000 1.000 peak 2717 spectrum 1 weight 0.11000E+01 volume 0.50773E-03 ppm1 6.925 ppm2 3.010 CV 1 ASSI { 2720} (( segid " " and resid 135 and name HN )) (( segid " " and resid 132 and name HB )) 4.700 1.500 1.000 peak 2720 spectrum 1 weight 0.11000E+01 volume 0.41566E-03 ppm1 6.925 ppm2 4.026 CV 1 ASSI { 2721} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 3.600 1.000 1.000 peak 2721 spectrum 1 weight 0.11000E+01 volume 0.89106E-03 ppm1 6.930 ppm2 4.209 CV 1 ASSI { 2723} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HG )) 5.500 1.000 1.000 peak 2723 spectrum 1 weight 0.11000E+01 volume 0.28722E-03 ppm1 6.922 ppm2 6.387 CV 1 ASSI { 2724} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HD2%) 3.300 1.000 1.500 peak 2724 spectrum 1 weight 0.11000E+01 volume 0.19619E-02 ppm1 8.440 ppm2 0.862 CV 1 ASSI { 2725} (( segid " " and resid 134 and name HN )) ( segid " " and resid 135 and name HB% ) 4.600 1.000 1.000 peak 2725 spectrum 1 weight 0.11000E+01 volume 0.51877E-03 ppm1 8.441 ppm2 1.056 CV 1 ASSI { 2729} (( segid " " and resid 136 and name HN )) ( segid " " and resid 134 and name HD2%) 4.800 1.000 1.000 peak 2729 spectrum 1 weight 0.11000E+01 volume 0.31736E-03 ppm1 7.518 ppm2 0.850 CV 1 ASSI { 2736} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 3.400 1.000 1.000 peak 2736 spectrum 1 weight 0.11000E+01 volume 0.12196E-02 ppm1 6.920 ppm2 1.351 CV 1 ASSI { 2739} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 2739 spectrum 1 weight 0.11000E+01 volume 0.48465E-02 ppm1 8.858 ppm2 3.161 CV 1 ASSI { 2741} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 2741 spectrum 1 weight 0.11000E+01 volume 0.55604E-02 ppm1 8.856 ppm2 4.784 CV 1 ASSI { 2743} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HB% ) 3.200 1.000 1.500 peak 2743 spectrum 1 weight 0.11000E+01 volume 0.19640E-02 ppm1 7.513 ppm2 1.045 CV 1 ASSI { 2744} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.800 1.000 0.600 peak 2744 spectrum 1 weight 0.11000E+01 volume 0.10327E-01 ppm1 6.635 ppm2 3.172 CV 1 ASSI { 2749} (( segid " " and resid 138 and name HN )) ( segid " " and resid 15 and name HE% ) 4.400 1.300 1.000 peak 2749 spectrum 1 weight 0.11000E+01 volume 0.17053E-02 ppm1 6.636 ppm2 6.343 CV 1 ASSI { 2750} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.500 1.000 1.000 peak 2750 spectrum 1 weight 0.11000E+01 volume 0.19610E-02 ppm1 6.636 ppm2 1.541 CV 1 ASSI { 2751} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG1 )) 4.000 1.100 1.100 peak 2751 spectrum 1 weight 0.11000E+01 volume 0.28410E-02 ppm1 8.505 ppm2 2.228 CV 1 ASSI { 2752} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG2 )) 3.500 1.500 1.500 peak 2752 spectrum 1 weight 0.11000E+01 volume 0.28410E-02 ppm1 8.505 ppm2 2.229 CV 1 ASSI { 2753} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 2753 spectrum 1 weight 0.11000E+01 volume 0.21274E-01 ppm1 8.503 ppm2 4.255 CV 1 ASSI { 2754} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.800 1.000 1.000 peak 2754 spectrum 1 weight 0.11000E+01 volume 0.48993E-02 ppm1 6.635 ppm2 4.295 CV 1 ASSI { 2757} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HG2%) 3.300 1.000 1.000 peak 2757 spectrum 1 weight 0.11000E+01 volume 0.13678E-02 ppm1 7.786 ppm2 0.846 CV 1 ASSI { 2760} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 2760 spectrum 1 weight 0.11000E+01 volume 0.11368E-01 ppm1 7.787 ppm2 4.254 CV 1 ASSI { 2761} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB )) 3.100 1.000 1.000 peak 2761 spectrum 1 weight 0.11000E+01 volume 0.23863E-02 ppm1 7.787 ppm2 2.015 CV 1 ASSI { 2762} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.800 1.000 1.000 peak 2762 spectrum 1 weight 0.11000E+01 volume 0.23863E-02 ppm1 7.788 ppm2 2.005 CV 1 ASSI { 2763} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HG2 )) 4.200 1.000 1.500 peak 2763 spectrum 1 weight 0.11000E+01 volume 0.58735E-03 ppm1 7.785 ppm2 2.238 CV 1 ASSI { 2766} (( segid " " and resid 52 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.900 1.000 1.100 peak 2766 spectrum 1 weight 0.11000E+01 volume 0.44474E-03 ppm1 9.760 ppm2 1.631 CV 1 ASSI { 2768} (( segid " " and resid 52 and name HN )) (( segid " " and resid 45 and name HG2 )) 2.800 1.000 1.000 peak 2768 spectrum 1 weight 0.11000E+01 volume 0.11793E-02 ppm1 9.764 ppm2 1.956 CV 1 ASSI { 2769} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.000 1.000 1.000 peak 2769 spectrum 1 weight 0.11000E+01 volume 0.84976E-03 ppm1 9.760 ppm2 1.888 CV 1 ASSI { 2771} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 2771 spectrum 1 weight 0.11000E+01 volume 0.47363E-02 ppm1 9.760 ppm2 4.328 CV 1 ASSI { 2772} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA2 )) 2.900 1.000 1.000 peak 2772 spectrum 1 weight 0.11000E+01 volume 0.21953E-02 ppm1 9.759 ppm2 4.217 CV 1 ASSI { 2776} (( segid " " and resid 86 and name HN )) (( segid " " and resid 96 and name HB2 )) 5.000 1.000 1.000 peak 2776 spectrum 1 weight 0.11000E+01 volume 0.60063E-03 ppm1 8.137 ppm2 3.226 CV 1 ASSI { 2780} (( segid " " and resid 85 and name HN )) (( segid " " and resid 95 and name HD1 )) 4.500 1.500 1.500 peak 2780 spectrum 1 weight 0.11000E+01 volume 0.58494E-03 ppm1 8.408 ppm2 1.603 CV 1 ASSI { 2785} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 4.100 1.000 1.000 peak 2785 spectrum 1 weight 0.11000E+01 volume 0.79740E-03 ppm1 7.687 ppm2 8.249 CV 1 ASSI { 2786} (( segid " " and resid 118 and name HN )) (( segid " " and resid 127 and name HN )) 3.500 1.000 1.000 peak 2786 spectrum 1 weight 0.11000E+01 volume 0.11115E-02 ppm1 7.688 ppm2 8.283 CV 1 ASSI { 2787} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 3.000 1.000 1.000 peak 2787 spectrum 1 weight 0.11000E+01 volume 0.65120E-03 ppm1 8.250 ppm2 4.758 CV 1 ASSI { 2791} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.400 1.000 1.100 peak 2791 spectrum 1 weight 0.11000E+01 volume 0.58996E-03 ppm1 9.221 ppm2 1.330 CV 1 ASSI { 2792} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 0.700 peak 2792 spectrum 1 weight 0.11000E+01 volume 0.32964E-02 ppm1 9.221 ppm2 5.069 CV 1 ASSI { 2794} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA2 )) 2.800 1.100 1.100 peak 2794 spectrum 1 weight 0.11000E+01 volume 0.10078E-02 ppm1 9.220 ppm2 4.725 CV 1 ASSI { 2795} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 4.400 1.000 1.000 peak 2795 spectrum 1 weight 0.11000E+01 volume 0.77804E-03 ppm1 8.791 ppm2 1.750 CV 1 ASSI { 2796} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) 4.500 1.000 1.000 peak 2796 spectrum 1 weight 0.11000E+01 volume 0.84791E-03 ppm1 8.783 ppm2 1.608 CV 1 ASSI { 2798} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.000 1.500 1.000 peak 2798 spectrum 1 weight 0.11000E+01 volume 0.64715E-03 ppm1 8.537 ppm2 9.199 CV 1 ASSI { 2803} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG )) 3.800 1.000 1.000 peak 2803 spectrum 1 weight 0.11000E+01 volume 0.18376E-02 ppm1 8.352 ppm2 1.271 CV 1 ASSI { 2805} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG1 )) 4.500 1.000 1.000 peak 2805 spectrum 1 weight 0.11000E+01 volume 0.23324E-02 ppm1 8.368 ppm2 1.308 CV 1 ASSI { 2808} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB1 )) 4.000 1.000 1.000 peak 2808 spectrum 1 weight 0.11000E+01 volume 0.85147E-03 ppm1 8.461 ppm2 3.037 CV 1 ASSI { 2809} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.700 1.000 1.000 peak 2809 spectrum 1 weight 0.11000E+01 volume 0.13276E-02 ppm1 8.457 ppm2 3.219 CV 1 ASSI { 2811} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HD2 )) 3.700 1.000 1.000 peak 2811 spectrum 1 weight 0.11000E+01 volume 0.11193E-02 ppm1 7.926 ppm2 3.779 CV 1 ASSI { 2812} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HD1 )) 3.500 1.000 1.000 peak 2812 spectrum 1 weight 0.11000E+01 volume 0.72844E-03 ppm1 7.926 ppm2 3.639 CV 1 ASSI { 2823} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.700 1.000 1.000 peak 2823 spectrum 1 weight 0.11000E+01 volume 0.17554E-02 ppm1 8.535 ppm2 2.866 CV 1 ASSI { 2824} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.800 1.000 1.000 peak 2824 spectrum 1 weight 0.11000E+01 volume 0.24194E-02 ppm1 8.534 ppm2 2.913 CV 1 ASSI { 2843} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 4.900 1.300 1.000 peak 2843 spectrum 1 weight 0.11000E+01 volume 0.13077E-02 ppm1 8.453 ppm2 1.229 CV 1 ASSI { 2845} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG1 )) 4.800 1.000 1.000 peak 2845 spectrum 1 weight 0.11000E+01 volume 0.66891E-03 ppm1 8.457 ppm2 1.078 CV 1 ASSI { 2852} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.000 1.000 1.500 peak 2852 spectrum 1 weight 0.11000E+01 volume 0.39396E-02 ppm1 8.117 ppm2 1.542 CV 1 ASSI { 2855} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 2.800 1.000 0.700 peak 2855 spectrum 1 weight 0.11000E+01 volume 0.35915E-02 ppm1 8.119 ppm2 4.651 CV 1 ASSI { 2859} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 4.400 1.000 1.100 peak 2859 spectrum 1 weight 0.11000E+01 volume 0.30626E-03 ppm1 7.381 ppm2 1.576 CV 1 ASSI { 2860} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 3.100 1.000 1.000 peak 2860 spectrum 1 weight 0.11000E+01 volume 0.18531E-02 ppm1 7.379 ppm2 3.547 CV 1 ASSI { 2861} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 5.000 1.000 1.000 peak 2861 spectrum 1 weight 0.11000E+01 volume 0.52289E-03 ppm1 7.380 ppm2 9.018 CV 1 ASSI { 2866} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HG2%) 4.500 1.000 1.000 peak 2866 spectrum 1 weight 0.11000E+01 volume 0.89696E-03 ppm1 7.735 ppm2 1.133 CV 1 ASSI { 2868} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG2%) 2.800 1.000 1.000 peak 2868 spectrum 1 weight 0.11000E+01 volume 0.25752E-02 ppm1 8.850 ppm2 0.905 CV 1 ASSI { 2871} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.500 1.000 1.500 peak 2871 spectrum 1 weight 0.11000E+01 volume 0.37877E-03 ppm1 9.317 ppm2 2.613 CV 1 ASSI { 2876} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG2 )) 3.500 1.000 1.500 peak 2876 spectrum 1 weight 0.11000E+01 volume 0.17226E-02 ppm1 6.290 ppm2 2.357 CV 1 ASSI { 2877} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA1 )) 3.300 1.000 1.000 peak 2877 spectrum 1 weight 0.11000E+01 volume 0.16623E-02 ppm1 8.369 ppm2 3.812 CV 1 ASSI { 2878} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA2 )) 2.900 1.000 1.000 peak 2878 spectrum 1 weight 0.11000E+01 volume 0.18667E-02 ppm1 8.365 ppm2 4.290 CV 1 ASSI { 2879} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB )) 5.000 1.000 1.000 peak 2879 spectrum 1 weight 0.11000E+01 volume 0.45243E-03 ppm1 9.521 ppm2 3.870 CV 1 ASSI { 2881} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG11)) 2.800 1.000 1.000 peak 2881 spectrum 1 weight 0.11000E+01 volume 0.27071E-02 ppm1 9.517 ppm2 0.897 CV 1 ASSI { 2882} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.800 1.000 0.600 peak 2882 spectrum 1 weight 0.11000E+01 volume 0.45663E-02 ppm1 9.518 ppm2 5.090 CV 1 ASSI { 2883} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 5.000 1.000 1.000 peak 2883 spectrum 1 weight 0.11000E+01 volume 0.29889E-03 ppm1 9.264 ppm2 3.664 CV 1 ASSI { 2884} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB1 )) 4.500 1.000 1.000 peak 2884 spectrum 1 weight 0.11000E+01 volume 0.56770E-03 ppm1 9.270 ppm2 3.539 CV 1 ASSI { 2887} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HD1 )) 3.500 1.000 1.500 peak 2887 spectrum 1 weight 0.11000E+01 volume 0.18139E-02 ppm1 8.246 ppm2 1.599 CV 1 ASSI { 2888} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.200 1.500 1.500 peak 2888 spectrum 1 weight 0.11000E+01 volume 0.18139E-02 ppm1 8.246 ppm2 1.597 CV 1 ASSI { 2892} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.500 1.000 1.000 peak 2892 spectrum 1 weight 0.11000E+01 volume 0.13774E-02 ppm1 7.213 ppm2 3.033 CV 1 ASSI { 2893} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 3.500 1.000 1.000 peak 2893 spectrum 1 weight 0.11000E+01 volume 0.10219E-02 ppm1 7.211 ppm2 2.919 CV 1 ASSI { 2901} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG12)) 2.800 1.000 1.000 peak 2901 spectrum 1 weight 0.11000E+01 volume 0.25161E-02 ppm1 8.066 ppm2 1.339 CV 1 ASSI { 2902} (( segid " " and resid 52 and name HN )) (( segid " " and resid 45 and name HG1 )) 3.500 1.000 2.000 peak 2902 spectrum 1 weight 0.11000E+01 volume 0.37507E-03 ppm1 9.756 ppm2 1.740 CV 1 ASSI { 2907} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB )) 4.000 1.500 1.000 peak 2907 spectrum 1 weight 0.11000E+01 volume 0.45622E-03 ppm1 9.011 ppm2 2.062 CV 1 ASSI { 2912} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HG2 )) 2.900 1.000 1.500 peak 2912 spectrum 1 weight 0.11000E+01 volume 0.92410E-03 ppm1 6.901 ppm2 2.049 CV 1 ASSI { 2913} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HG2 )) 3.700 1.000 1.500 peak 2913 spectrum 1 weight 0.11000E+01 volume 0.10160E-02 ppm1 6.607 ppm2 2.053 CV 1 ASSI { 2914} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HG1 )) 2.800 1.000 1.000 peak 2914 spectrum 1 weight 0.11000E+01 volume 0.10326E-02 ppm1 6.897 ppm2 2.012 CV 1 ASSI { 2915} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HG1 )) 3.700 1.000 1.000 peak 2915 spectrum 1 weight 0.11000E+01 volume 0.91020E-03 ppm1 6.608 ppm2 2.021 CV 1 ASSI { 2917} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG1 )) 5.000 1.500 1.000 peak 2917 spectrum 1 weight 0.11000E+01 volume 0.51778E-03 ppm1 8.382 ppm2 2.150 CV 1 ASSI { 2919} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.000 1.000 1.000 peak 2919 spectrum 1 weight 0.11000E+01 volume 0.30688E-02 ppm1 8.249 ppm2 3.725 CV 1 ASSI { 2920} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HD1 )) 4.500 1.000 1.500 peak 2920 spectrum 1 weight 0.11000E+01 volume 0.80054E-03 ppm1 8.788 ppm2 3.023 CV 1 ASSI { 2923} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.700 1.000 1.000 peak 2923 spectrum 1 weight 0.11000E+01 volume 0.88013E-03 ppm1 9.164 ppm2 1.925 CV 1 ASSI { 2924} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) 4.200 1.000 1.000 peak 2924 spectrum 1 weight 0.11000E+01 volume 0.72741E-03 ppm1 9.209 ppm2 1.633 CV 1 ASSI { 2929} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HG1 )) 4.000 1.000 1.500 peak 2929 spectrum 1 weight 0.11000E+01 volume 0.53678E-03 ppm1 9.207 ppm2 1.306 CV 1 ASSI { 2933} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.800 1.000 1.000 peak 2933 spectrum 1 weight 0.11000E+01 volume 0.10227E-02 ppm1 9.281 ppm2 4.491 CV 1 ASSI { 2936} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.800 1.000 1.000 peak 2936 spectrum 1 weight 0.11000E+01 volume 0.80824E-03 ppm1 9.277 ppm2 1.950 CV 1 ASSI { 2938} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.400 1.000 1.000 peak 2938 spectrum 1 weight 0.11000E+01 volume 0.11332E-02 ppm1 8.120 ppm2 1.924 CV 1 ASSI { 2941} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB2 )) 4.700 1.000 1.000 peak 2941 spectrum 1 weight 0.11000E+01 volume 0.56976E-03 ppm1 7.920 ppm2 2.357 CV 1 ASSI { 2943} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB1 )) 5.000 1.000 1.000 peak 2943 spectrum 1 weight 0.11000E+01 volume 0.56976E-03 ppm1 7.920 ppm2 2.355 CV 1 ASSI { 2944} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG1 )) 3.800 1.000 1.000 peak 2944 spectrum 1 weight 0.11000E+01 volume 0.19087E-02 ppm1 7.922 ppm2 2.049 CV 1 ASSI { 2945} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.200 1.000 1.000 peak 2945 spectrum 1 weight 0.11000E+01 volume 0.20657E-02 ppm1 7.922 ppm2 2.047 CV 1 ASSI { 2953} (( segid " " and resid 65 and name HN )) (( segid " " and resid 96 and name HB1 )) 5.000 1.000 1.000 peak 2953 spectrum 1 weight 0.11000E+01 volume 0.56400E-03 ppm1 6.293 ppm2 2.801 CV 1 ASSI { 2954} (( segid " " and resid 66 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.800 1.000 1.000 peak 2954 spectrum 1 weight 0.11000E+01 volume 0.55466E-03 ppm1 9.077 ppm2 2.802 CV 1 ASSI { 2955} (( segid " " and resid 65 and name HN )) (( segid " " and resid 85 and name HA2 )) 3.200 1.000 1.000 peak 2955 spectrum 1 weight 0.11000E+01 volume 0.16916E-02 ppm1 6.294 ppm2 4.104 CV 1 ASSI { 2956} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HB% ) 3.800 1.000 1.000 peak 2956 spectrum 1 weight 0.11000E+01 volume 0.15864E-02 ppm1 6.296 ppm2 0.991 CV 1 ASSI { 2958} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA1 )) 2.900 1.000 1.000 peak 2958 spectrum 1 weight 0.11000E+01 volume 0.18218E-02 ppm1 6.295 ppm2 3.111 CV 1 ASSI { 2959} (( segid " " and resid 65 and name HN )) (( segid " " and resid 82 and name HB2 )) 5.000 1.000 1.000 peak 2959 spectrum 1 weight 0.11000E+01 volume 0.15508E-02 ppm1 6.295 ppm2 3.083 CV 1 ASSI { 2962} (( segid " " and resid 113 and name HE21)) (( segid " " and resid 113 and name HG1 )) 3.400 1.500 1.000 peak 2962 spectrum 1 weight 0.11000E+01 volume 0.13129E-02 ppm1 6.808 ppm2 2.367 CV 1 ASSI { 2965} (( segid " " and resid 138 and name HE22)) (( segid " " and resid 138 and name HE21)) 1.800 0.200 0.800 peak 2965 spectrum 1 weight 0.11000E+01 volume 0.48882E-01 ppm1 7.457 ppm2 6.795 CV 1 ASSI { 2972} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG1 )) 4.700 1.000 1.300 peak 2972 spectrum 1 weight 0.11000E+01 volume 0.59951E-03 ppm1 8.793 ppm2 2.010 CV 1 ASSI { 2973} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 74 and name HG2%) 4.800 1.000 1.200 peak 2973 spectrum 1 weight 0.11000E+01 volume 0.59972E-03 ppm1 6.610 ppm2 0.702 CV 1 ASSI { 2975} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.000 0.700 peak 2975 spectrum 1 weight 0.11000E+01 volume 0.52676E-02 ppm1 8.302 ppm2 4.212 CV 1 ASSI { 2976} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) 4.100 1.300 1.000 peak 2976 spectrum 1 weight 0.11000E+01 volume 0.83120E-02 ppm1 8.506 ppm2 1.873 CV 1 ASSI { 2977} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.300 1.000 1.000 peak 2977 spectrum 1 weight 0.11000E+01 volume 0.61866E-02 ppm1 8.506 ppm2 2.003 CV 1 ASSI { 2979} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 2979 spectrum 1 weight 0.11000E+01 volume 0.20676E-02 ppm1 8.203 ppm2 3.202 CV 1 ASSI { 2980} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.900 1.000 1.000 peak 2980 spectrum 1 weight 0.11000E+01 volume 0.18215E-02 ppm1 8.201 ppm2 4.832 CV 1 ASSI { 2981} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.800 1.000 0.600 peak 2981 spectrum 1 weight 0.11000E+01 volume 0.35128E-02 ppm1 8.203 ppm2 4.499 CV 1 ASSI { 2982} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.500 1.000 1.500 peak 2982 spectrum 1 weight 0.11000E+01 volume 0.12086E-02 ppm1 8.204 ppm2 2.388 CV 1 ASSI { 2983} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 2.900 1.000 1.000 peak 2983 spectrum 1 weight 0.11000E+01 volume 0.19186E-02 ppm1 8.200 ppm2 2.033 CV 1 ASSI { 2984} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) 3.300 1.000 1.000 peak 2984 spectrum 1 weight 0.11000E+01 volume 0.10612E-02 ppm1 8.202 ppm2 1.733 CV 1 ASSI { 2994} (( segid " " and resid 88 and name HN )) (( segid " " and resid 96 and name HN )) 5.000 1.000 1.000 peak 2994 spectrum 1 weight 0.11000E+01 volume 0.39384E-03 ppm1 8.203 ppm2 9.174 CV 1 ASSI { 2999} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HG2 )) 5.000 1.000 1.000 peak 2999 spectrum 1 weight 0.11000E+01 volume 0.51836E-03 ppm1 8.207 ppm2 2.130 CV 1 ASSI { 3000} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HG1 )) 4.000 1.500 1.500 peak 3000 spectrum 1 weight 0.11000E+01 volume 0.11936E-02 ppm1 8.206 ppm2 1.962 CV 1 ASSI { 3001} (( segid " " and resid 88 and name HN )) (( segid " " and resid 94 and name HB1 )) 4.700 1.000 1.000 peak 3001 spectrum 1 weight 0.11000E+01 volume 0.82336E-03 ppm1 8.210 ppm2 1.545 CV 1 ASSI { 3003} (( segid " " and resid 88 and name HN )) (( segid " " and resid 91 and name HN )) 5.500 1.000 1.500 peak 3003 spectrum 1 weight 0.11000E+01 volume 0.30650E-03 ppm1 8.199 ppm2 7.283 CV 1 ASSI { 3006} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.500 1.000 1.000 peak 3006 spectrum 1 weight 0.11000E+01 volume 0.26157E-02 ppm1 6.855 ppm2 4.048 CV 1 ASSI { 3007} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HD2 )) 5.500 1.000 0.500 peak 3007 spectrum 1 weight 0.11000E+01 volume 0.55966E-03 ppm1 8.125 ppm2 1.726 CV 1 ASSI { 3008} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HG1 )) 5.000 1.000 1.000 peak 3008 spectrum 1 weight 0.11000E+01 volume 0.58577E-03 ppm1 7.788 ppm2 2.233 CV 1 ASSI { 3010} (( segid " " and resid 54 and name HN )) (( segid " " and resid 67 and name HN )) 3.400 1.500 1.500 peak 3010 spectrum 1 weight 0.11000E+01 volume 0.21124E-02 ppm1 9.014 ppm2 7.163 CV 1 ASSI { 3011} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.000 1.500 peak 3011 spectrum 1 weight 0.11000E+01 volume 0.10457E-02 ppm1 8.066 ppm2 4.337 CV 1 ASSI { 3014} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA2 )) 2.800 1.000 1.000 peak 3014 spectrum 1 weight 0.11000E+01 volume 0.12507E-02 ppm1 8.068 ppm2 4.223 CV 1 ASSI { 3021} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 3021 spectrum 1 weight 0.11000E+01 volume 0.15208E-02 ppm1 9.011 ppm2 4.264 CV 1 ASSI { 3023} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HG2%) 3.100 1.000 1.000 peak 3023 spectrum 1 weight 0.11000E+01 volume 0.13319E-02 ppm1 9.011 ppm2 1.037 CV 1 ASSI { 3025} (( segid " " and resid 58 and name HN )) ( segid " " and resid 38 and name HG2%) 5.000 1.000 1.000 peak 3025 spectrum 1 weight 0.11000E+01 volume 0.55851E-03 ppm1 8.537 ppm2 0.614 CV 1 ASSI { 3026} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HA1 )) 5.100 1.000 1.000 peak 3026 spectrum 1 weight 0.11000E+01 volume 0.47986E-03 ppm1 8.530 ppm2 3.718 CV 1 ASSI { 3028} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB1 )) 4.200 1.000 1.500 peak 3028 spectrum 1 weight 0.11000E+01 volume 0.56233E-03 ppm1 9.214 ppm2 1.803 CV 1 ASSI { 3030} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA2 )) 3.100 1.400 1.400 peak 3030 spectrum 1 weight 0.11000E+01 volume 0.17113E-02 ppm1 7.364 ppm2 4.198 CV 1 ASSI { 3032} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA )) 5.000 1.000 1.000 peak 3032 spectrum 1 weight 0.11000E+01 volume 0.52136E-03 ppm1 7.358 ppm2 4.008 CV 1 ASSI { 3034} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 3.300 1.000 1.000 peak 3034 spectrum 1 weight 0.11000E+01 volume 0.17421E-02 ppm1 8.881 ppm2 0.257 CV 1 ASSI { 3035} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.400 1.000 1.000 peak 3035 spectrum 1 weight 0.11000E+01 volume 0.89164E-03 ppm1 8.879 ppm2 4.102 CV 1 ASSI { 3036} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA1 )) 3.400 1.000 1.000 peak 3036 spectrum 1 weight 0.11000E+01 volume 0.90565E-03 ppm1 7.053 ppm2 3.810 CV 1 ASSI { 3037} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 3037 spectrum 1 weight 0.11000E+01 volume 0.39866E-02 ppm1 8.783 ppm2 5.992 CV 1 ASSI { 3039} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.600 1.000 1.500 peak 3039 spectrum 1 weight 0.11000E+01 volume 0.12348E-02 ppm1 8.792 ppm2 1.774 CV 1 ASSI { 3040} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.300 1.000 1.200 peak 3040 spectrum 1 weight 0.11000E+01 volume 0.17606E-02 ppm1 8.788 ppm2 1.657 CV 1 ASSI { 3043} (( segid " " and resid 80 and name HN )) ( segid " " and resid 100 and name HG2%) 4.600 1.000 1.000 peak 3043 spectrum 1 weight 0.11000E+01 volume 0.29701E-03 ppm1 8.786 ppm2 0.045 CV 1 ASSI { 3045} (( segid " " and resid 64 and name HN )) ( segid " " and resid 55 and name HB% ) 4.000 1.000 1.000 peak 3045 spectrum 1 weight 0.11000E+01 volume 0.48703E-03 ppm1 8.812 ppm2 1.233 CV 1 ASSI { 3049} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG12)) 4.600 1.000 1.000 peak 3049 spectrum 1 weight 0.11000E+01 volume 0.43510E-03 ppm1 8.870 ppm2 1.296 CV 1 ASSI { 3050} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA1 )) 2.800 1.000 0.800 peak 3050 spectrum 1 weight 0.11000E+01 volume 0.20266E-02 ppm1 9.227 ppm2 3.725 CV 1 ASSI { 3051} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.800 1.000 1.000 peak 3051 spectrum 1 weight 0.11000E+01 volume 0.20842E-02 ppm1 9.231 ppm2 3.811 CV 1 ASSI { 3053} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 3.500 1.000 1.000 peak 3053 spectrum 1 weight 0.11000E+01 volume 0.11869E-02 ppm1 7.454 ppm2 4.190 CV 1 ASSI { 3056} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA1 )) 2.800 1.000 0.700 peak 3056 spectrum 1 weight 0.11000E+01 volume 0.39736E-02 ppm1 7.454 ppm2 3.725 CV 1 ASSI { 3057} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.800 1.000 1.000 peak 3057 spectrum 1 weight 0.11000E+01 volume 0.41766E-02 ppm1 7.454 ppm2 3.742 CV 1 ASSI { 3058} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.800 1.000 1.000 peak 3058 spectrum 1 weight 0.11000E+01 volume 0.38265E-02 ppm1 7.453 ppm2 3.811 CV 1 ASSI { 3059} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.400 1.000 1.000 peak 3059 spectrum 1 weight 0.11000E+01 volume 0.38265E-02 ppm1 7.454 ppm2 3.819 CV 1 ASSI { 3060} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 3060 spectrum 1 weight 0.11000E+01 volume 0.48955E-02 ppm1 8.856 ppm2 4.576 CV 1 ASSI { 3061} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 3061 spectrum 1 weight 0.11000E+01 volume 0.65343E-02 ppm1 8.870 ppm2 4.556 CV 1 ASSI { 3070} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 4.400 1.000 1.100 peak 3070 spectrum 1 weight 0.11000E+01 volume 0.32268E-03 ppm1 8.843 ppm2 8.248 CV 1 ASSI { 3071} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HD1%) 3.700 1.000 1.000 peak 3071 spectrum 1 weight 0.11000E+01 volume 0.47164E-03 ppm1 8.249 ppm2 0.478 CV 1 ASSI { 3074} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG )) 4.500 1.500 1.500 peak 3074 spectrum 1 weight 0.11000E+01 volume 0.65657E-03 ppm1 8.854 ppm2 1.325 CV 1 ASSI { 3077} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG )) 3.700 1.000 1.500 peak 3077 spectrum 1 weight 0.11000E+01 volume 0.77373E-03 ppm1 8.245 ppm2 1.325 CV 1 ASSI { 3078} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HD2%) 3.300 1.500 1.000 peak 3078 spectrum 1 weight 0.11000E+01 volume 0.51610E-03 ppm1 8.248 ppm2 0.593 CV 1 ASSI { 3081} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.000 1.000 peak 3081 spectrum 1 weight 0.11000E+01 volume 0.77105E-03 ppm1 8.095 ppm2 4.374 CV 1 ASSI { 3082} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.100 1.000 1.400 peak 3082 spectrum 1 weight 0.11000E+01 volume 0.25684E-03 ppm1 9.072 ppm2 2.748 CV 1 ASSI { 3083} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HD2 )) 5.000 1.000 1.000 peak 3083 spectrum 1 weight 0.11000E+01 volume 0.37683E-03 ppm1 8.091 ppm2 1.616 CV 1 ASSI { 3090} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 3090 spectrum 1 weight 0.11000E+01 volume 0.20410E-02 ppm1 8.368 ppm2 3.742 CV 1 ASSI { 3099} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 5.000 1.000 1.000 peak 3099 spectrum 1 weight 0.11000E+01 volume 0.37780E-03 ppm1 9.459 ppm2 8.860 CV 1 ASSI { 3104} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HE% ) 4.600 1.000 1.000 peak 3104 spectrum 1 weight 0.11000E+01 volume 0.29090E-03 ppm1 9.668 ppm2 6.356 CV 1 ASSI { 3106} (( segid " " and resid 102 and name HN )) (( segid " " and resid 79 and name HA )) 4.300 1.000 1.000 peak 3106 spectrum 1 weight 0.11000E+01 volume 0.62676E-03 ppm1 9.669 ppm2 5.989 CV 1 ASSI { 3107} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HD% ) 5.500 1.000 0.500 peak 3107 spectrum 1 weight 0.11000E+01 volume 0.37255E-03 ppm1 8.321 ppm2 6.567 CV 1 ASSI { 3108} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD1%) 5.500 1.000 0.500 peak 3108 spectrum 1 weight 0.11000E+01 volume 0.27052E-03 ppm1 8.910 ppm2 -0.107 CV 1 ASSI { 3109} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.100 1.000 1.000 peak 3109 spectrum 1 weight 0.11000E+01 volume 0.14334E-02 ppm1 7.287 ppm2 2.480 CV 1 ASSI { 3110} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HB1 )) 4.500 1.000 1.000 peak 3110 spectrum 1 weight 0.11000E+01 volume 0.58691E-03 ppm1 7.286 ppm2 2.026 CV 1 ASSI { 3113} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD2 )) 3.900 1.000 1.000 peak 3113 spectrum 1 weight 0.11000E+01 volume 0.32934E-02 ppm1 7.541 ppm2 1.663 CV 1 ASSI { 3114} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) 2.800 1.000 1.000 peak 3114 spectrum 1 weight 0.11000E+01 volume 0.19059E-02 ppm1 9.207 ppm2 3.918 CV 1 ASSI { 3115} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.100 1.000 1.000 peak 3115 spectrum 1 weight 0.11000E+01 volume 0.18480E-02 ppm1 9.203 ppm2 3.832 CV 1 ASSI { 3116} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.900 1.000 1.000 peak 3116 spectrum 1 weight 0.11000E+01 volume 0.10576E-02 ppm1 8.236 ppm2 3.833 CV 1 ASSI { 3117} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 3.300 1.000 1.000 peak 3117 spectrum 1 weight 0.11000E+01 volume 0.13040E-02 ppm1 8.461 ppm2 4.538 CV 1 ASSI { 3118} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.800 1.000 1.000 peak 3118 spectrum 1 weight 0.11000E+01 volume 0.27493E-02 ppm1 8.077 ppm2 4.537 CV 1 ASSI { 3119} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HG )) 3.900 1.000 1.000 peak 3119 spectrum 1 weight 0.11000E+01 volume 0.86973E-03 ppm1 8.071 ppm2 1.280 CV 1 ASSI { 3120} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB )) 4.200 1.100 1.000 peak 3120 spectrum 1 weight 0.11000E+01 volume 0.98850E-03 ppm1 7.672 ppm2 4.278 CV 1 ASSI { 3122} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB )) 3.600 1.000 1.000 peak 3122 spectrum 1 weight 0.11000E+01 volume 0.16251E-02 ppm1 6.933 ppm2 4.278 CV 1 ASSI { 3123} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.900 1.000 1.000 peak 3123 spectrum 1 weight 0.11000E+01 volume 0.23408E-02 ppm1 6.932 ppm2 4.256 CV 1 ASSI { 3124} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 3.500 1.200 1.200 peak 3124 spectrum 1 weight 0.11000E+01 volume 0.23408E-02 ppm1 6.933 ppm2 4.258 CV 1 ASSI { 3128} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE3 )) 4.000 1.500 1.500 peak 3128 spectrum 1 weight 0.11000E+01 volume 0.51384E-03 ppm1 7.165 ppm2 6.582 CV 1 ASSI { 3129} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HD1 )) 5.500 1.000 0.500 peak 3129 spectrum 1 weight 0.11000E+01 volume 0.29569E-03 ppm1 8.910 ppm2 6.597 CV 1 ASSI { 3132} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) 3.800 1.000 1.500 peak 3132 spectrum 1 weight 0.11000E+01 volume 0.12544E-02 ppm1 8.309 ppm2 2.321 CV 1 ASSI { 3133} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HE% ) 5.000 1.000 1.000 peak 3133 spectrum 1 weight 0.11000E+01 volume 0.34882E-03 ppm1 8.284 ppm2 7.148 CV 1 ASSI { 3135} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD% ) 3.600 1.000 1.000 peak 3135 spectrum 1 weight 0.11000E+01 volume 0.20756E-03 ppm1 9.498 ppm2 6.742 CV 1 ASSI { 3139} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 132 and name HA )) 4.400 1.500 1.500 peak 3139 spectrum 1 weight 0.11000E+01 volume 0.36588E-03 ppm1 9.461 ppm2 5.087 CV 1 ASSI { 3141} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 112 and name HA )) 4.500 1.000 1.500 peak 3141 spectrum 1 weight 0.11000E+01 volume 0.40048E-03 ppm1 9.448 ppm2 4.469 CV 1 ASSI { 3150} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 4.400 1.000 1.000 peak 3150 spectrum 1 weight 0.11000E+01 volume 0.65722E-03 ppm1 7.925 ppm2 2.215 CV 1 ASSI { 3154} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.400 1.000 1.500 peak 3154 spectrum 1 weight 0.11000E+01 volume 0.48791E-03 ppm1 7.935 ppm2 2.625 CV 1 ASSI { 3156} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.200 1.000 1.000 peak 3156 spectrum 1 weight 0.11000E+01 volume 0.22328E-02 ppm1 7.928 ppm2 3.034 CV 1 ASSI { 3157} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.400 1.000 1.000 peak 3157 spectrum 1 weight 0.11000E+01 volume 0.11857E-02 ppm1 7.935 ppm2 4.281 CV 1 ASSI { 3177} (( segid " " and resid 56 and name HN )) (( segid " " and resid 40 and name HN )) 5.000 1.000 1.000 peak 3177 spectrum 1 weight 0.11000E+01 volume 0.47980E-03 ppm1 9.155 ppm2 8.789 CV 1 ASSI { 3180} (( segid " " and resid 55 and name HN )) ( segid " " and resid 53 and name HD1%) 5.200 1.000 0.800 peak 3180 spectrum 1 weight 0.11000E+01 volume 0.62312E-03 ppm1 7.160 ppm2 0.585 CV 1 ASSI { 3181} (( segid " " and resid 64 and name HN )) ( segid " " and resid 53 and name HD1%) 5.000 1.000 1.000 peak 3181 spectrum 1 weight 0.11000E+01 volume 0.64718E-03 ppm1 8.799 ppm2 0.597 CV 1 ASSI { 3182} (( segid " " and resid 64 and name HN )) ( segid " " and resid 53 and name HG2%) 3.800 1.000 1.000 peak 3182 spectrum 1 weight 0.11000E+01 volume 0.97332E-03 ppm1 8.797 ppm2 1.049 CV 1 ASSI { 3185} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG2 )) 3.000 1.000 1.500 peak 3185 spectrum 1 weight 0.11000E+01 volume 0.38770E-03 ppm1 7.161 ppm2 1.146 CV 1 ASSI { 3188} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.500 1.000 1.000 peak 3188 spectrum 1 weight 0.11000E+01 volume 0.82539E-03 ppm1 7.164 ppm2 1.809 CV 1 ASSI { 3190} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD1 )) 5.300 1.000 0.700 peak 3190 spectrum 1 weight 0.11000E+01 volume 0.63798E-03 ppm1 7.167 ppm2 1.616 CV 1 ASSI { 3191} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD2 )) 5.000 1.000 1.000 peak 3191 spectrum 1 weight 0.11000E+01 volume 0.63798E-03 ppm1 7.165 ppm2 1.616 CV 1 ASSI { 3198} (( segid " " and resid 66 and name HN )) ( segid " " and resid 53 and name HD1%) 5.000 1.000 1.000 peak 3198 spectrum 1 weight 0.11000E+01 volume 0.32359E-03 ppm1 9.079 ppm2 0.596 CV 1 ASSI { 3203} (( segid " " and resid 68 and name HN )) ( segid " " and resid 82 and name HD% ) 5.000 1.000 1.000 peak 3203 spectrum 1 weight 0.11000E+01 volume 0.49217E-03 ppm1 7.214 ppm2 6.741 CV 1 ASSI { 3208} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB1 )) 4.000 1.000 1.000 peak 3208 spectrum 1 weight 0.11000E+01 volume 0.27705E-02 ppm1 9.052 ppm2 2.806 CV 1 ASSI { 3209} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.000 1.000 1.000 peak 3209 spectrum 1 weight 0.11000E+01 volume 0.27611E-02 ppm1 9.054 ppm2 2.807 CV 1 ASSI { 3212} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HD21)) 4.800 1.000 1.200 peak 3212 spectrum 1 weight 0.11000E+01 volume 0.32391E-03 ppm1 9.056 ppm2 6.562 CV 1 ASSI { 3213} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.600 1.000 1.500 peak 3213 spectrum 1 weight 0.11000E+01 volume 0.23599E-02 ppm1 7.223 ppm2 2.619 CV 1 ASSI { 3214} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.500 1.000 1.000 peak 3214 spectrum 1 weight 0.11000E+01 volume 0.91352E-03 ppm1 7.227 ppm2 2.051 CV 1 ASSI { 3215} (( segid " " and resid 43 and name HN )) (( segid " " and resid 82 and name HH )) 2.800 1.000 2.000 peak 3215 spectrum 1 weight 0.11000E+01 volume 0.18809E-02 ppm1 7.982 ppm2 9.647 CV 1 ASSI { 3216} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.700 1.000 1.000 peak 3216 spectrum 1 weight 0.11000E+01 volume 0.36899E-03 ppm1 7.983 ppm2 2.916 CV 1 ASSI { 3218} (( segid " " and resid 68 and name HN )) (( segid " " and resid 82 and name HH )) 5.000 1.000 1.000 peak 3218 spectrum 1 weight 0.11000E+01 volume 0.40996E-03 ppm1 7.228 ppm2 9.647 CV 1 ASSI { 3222} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.400 1.000 1.000 peak 3222 spectrum 1 weight 0.11000E+01 volume 0.57434E-03 ppm1 8.241 ppm2 1.824 CV 1 ASSI { 3223} (( segid " " and resid 127 and name HN )) (( segid " " and resid 120 and name HN )) 5.000 1.000 1.000 peak 3223 spectrum 1 weight 0.11000E+01 volume 0.47836E-03 ppm1 8.289 ppm2 9.231 CV 1 ASSI { 3226} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.300 1.000 1.000 peak 3226 spectrum 1 weight 0.11000E+01 volume 0.92648E-03 ppm1 7.906 ppm2 5.191 CV 1 ASSI { 3227} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.100 1.000 1.000 peak 3227 spectrum 1 weight 0.11000E+01 volume 0.10399E-02 ppm1 7.165 ppm2 2.659 CV 1 ASSI { 3228} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.100 1.000 1.000 peak 3228 spectrum 1 weight 0.11000E+01 volume 0.98178E-03 ppm1 7.166 ppm2 2.619 CV 1 ASSI { 3229} (( segid " " and resid 98 and name HN )) (( segid " " and resid 126 and name HB1 )) 5.000 1.000 1.000 peak 3229 spectrum 1 weight 0.11000E+01 volume 0.41986E-03 ppm1 9.122 ppm2 0.987 CV 1 ASSI { 3230} (( segid " " and resid 129 and name HN )) (( segid " " and resid 115 and name HB1 )) 3.600 1.000 1.000 peak 3230 spectrum 1 weight 0.11000E+01 volume 0.95373E-03 ppm1 9.175 ppm2 1.497 CV 1 ASSI { 3232} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.500 1.000 1.000 peak 3232 spectrum 1 weight 0.11000E+01 volume 0.16121E-02 ppm1 8.074 ppm2 1.743 CV 1 ASSI { 3233} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HD2 )) 4.300 1.000 1.000 peak 3233 spectrum 1 weight 0.11000E+01 volume 0.19836E-02 ppm1 8.080 ppm2 1.662 CV 1 ASSI { 3235} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HD1 )) 4.900 1.000 1.000 peak 3235 spectrum 1 weight 0.11000E+01 volume 0.19836E-02 ppm1 8.080 ppm2 1.663 CV 1 ASSI { 3236} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.900 1.000 1.000 peak 3236 spectrum 1 weight 0.11000E+01 volume 0.16121E-02 ppm1 8.074 ppm2 1.747 CV 1 ASSI { 3238} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG1 )) 4.600 1.100 1.000 peak 3238 spectrum 1 weight 0.11000E+01 volume 0.99323E-03 ppm1 8.078 ppm2 1.318 CV 1 ASSI { 3239} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.100 1.000 1.000 peak 3239 spectrum 1 weight 0.11000E+01 volume 0.21018E-02 ppm1 8.077 ppm2 1.641 CV 1 ASSI { 3240} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG2 )) 4.600 1.000 1.000 peak 3240 spectrum 1 weight 0.11000E+01 volume 0.16176E-02 ppm1 8.080 ppm2 1.450 CV 1 ASSI { 3241} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG2 )) 4.300 1.000 1.000 peak 3241 spectrum 1 weight 0.11000E+01 volume 0.12893E-02 ppm1 8.079 ppm2 1.484 CV 1 ASSI { 3242} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.000 1.000 1.000 peak 3242 spectrum 1 weight 0.11000E+01 volume 0.19120E-02 ppm1 8.876 ppm2 1.797 CV 1 ASSI { 3246} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HD1 )) 4.100 1.000 1.000 peak 3246 spectrum 1 weight 0.11000E+01 volume 0.15714E-02 ppm1 8.879 ppm2 1.672 CV 1 ASSI { 3252} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.400 1.000 1.000 peak 3252 spectrum 1 weight 0.11000E+01 volume 0.21597E-02 ppm1 7.540 ppm2 4.363 CV 1 ASSI { 3254} (( segid " " and resid 120 and name HN )) (( segid " " and resid 125 and name HB )) 3.500 1.000 1.500 peak 3254 spectrum 1 weight 0.11000E+01 volume 0.87966E-03 ppm1 9.241 ppm2 3.541 CV 1 ASSI { 3255} (( segid " " and resid 120 and name HN )) ( segid " " and resid 127 and name HE% ) 5.000 1.000 1.000 peak 3255 spectrum 1 weight 0.11000E+01 volume 0.36705E-03 ppm1 9.231 ppm2 7.151 CV 1 ASSI { 3256} (( segid " " and resid 120 and name HN )) ( segid " " and resid 127 and name HD% ) 5.000 1.000 1.000 peak 3256 spectrum 1 weight 0.11000E+01 volume 0.32761E-03 ppm1 9.216 ppm2 7.029 CV 1 ASSI { 3258} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 4.200 1.000 1.000 peak 3258 spectrum 1 weight 0.11000E+01 volume 0.47786E-03 ppm1 9.224 ppm2 9.009 CV 1 ASSI { 3262} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB )) 4.300 1.000 1.000 peak 3262 spectrum 1 weight 0.11000E+01 volume 0.63384E-03 ppm1 9.218 ppm2 1.940 CV 1 ASSI { 3267} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG2%) 3.500 1.000 1.000 peak 3267 spectrum 1 weight 0.11000E+01 volume 0.17533E-02 ppm1 8.522 ppm2 1.000 CV 1 ASSI { 3268} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG1%) 4.100 1.500 1.000 peak 3268 spectrum 1 weight 0.11000E+01 volume 0.17498E-02 ppm1 8.517 ppm2 1.000 CV 1 ASSI { 3270} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.800 1.000 1.000 peak 3270 spectrum 1 weight 0.11000E+01 volume 0.74210E-02 ppm1 8.516 ppm2 4.150 CV 1 ASSI { 3271} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HA )) 4.400 1.000 1.500 peak 3271 spectrum 1 weight 0.11000E+01 volume 0.17460E-02 ppm1 6.935 ppm2 3.335 CV 1 ASSI { 3272} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.100 1.000 1.500 peak 3272 spectrum 1 weight 0.11000E+01 volume 0.19378E-02 ppm1 6.934 ppm2 3.364 CV 1 ASSI { 3282} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HA )) 5.000 1.000 1.000 peak 3282 spectrum 1 weight 0.11000E+01 volume 0.25266E-03 ppm1 7.157 ppm2 5.079 CV 1 ASSI { 3286} (( segid " " and resid 32 and name HN )) (( segid " " and resid 38 and name HN )) 5.000 1.000 1.000 peak 3286 spectrum 1 weight 0.11000E+01 volume 0.41058E-03 ppm1 8.278 ppm2 9.478 CV 1 ASSI { 3287} (( segid " " and resid 42 and name HN )) ( segid " " and resid 28 and name HD% ) 5.000 1.500 1.000 peak 3287 spectrum 1 weight 0.11000E+01 volume 0.31942E-03 ppm1 8.846 ppm2 7.222 CV 1 ASSI { 3288} (( segid " " and resid 42 and name HN )) ( segid " " and resid 28 and name HE% ) 5.000 1.000 1.000 peak 3288 spectrum 1 weight 0.11000E+01 volume 0.38103E-03 ppm1 8.852 ppm2 7.073 CV 1 ASSI { 3296} (( segid " " and resid 85 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.100 1.000 1.000 peak 3296 spectrum 1 weight 0.11000E+01 volume 0.11700E-02 ppm1 8.405 ppm2 1.920 CV 1 ASSI { 3299} (( segid " " and resid 91 and name HD22)) (( segid " " and resid 94 and name HG )) 5.000 1.000 1.000 peak 3299 spectrum 1 weight 0.11000E+01 volume 0.39252E-03 ppm1 7.588 ppm2 1.285 CV 1 ASSI { 3300} (( segid " " and resid 91 and name HD21)) (( segid " " and resid 94 and name HG )) 4.000 1.000 1.500 peak 3300 spectrum 1 weight 0.11000E+01 volume 0.38970E-03 ppm1 6.971 ppm2 1.285 CV 1 ASSI { 3301} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HD21)) 4.500 1.000 1.000 peak 3301 spectrum 1 weight 0.11000E+01 volume 0.49692E-03 ppm1 7.715 ppm2 7.215 CV 1 ASSI { 3302} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HD21)) 4.100 1.000 1.400 peak 3302 spectrum 1 weight 0.11000E+01 volume 0.26272E-03 ppm1 6.709 ppm2 7.201 CV 1 ASSI { 3306} (( segid " " and resid 122 and name HN )) ( segid " " and resid 123 and name HG2%) 4.500 1.000 1.000 peak 3306 spectrum 1 weight 0.11000E+01 volume 0.61044E-03 ppm1 8.286 ppm2 0.969 CV 1 ASSI { 3309} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.900 1.000 1.500 peak 3309 spectrum 1 weight 0.11000E+01 volume 0.80383E-03 ppm1 7.166 ppm2 1.742 CV 1 ASSI { 3311} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.000 1.000 1.000 peak 3311 spectrum 1 weight 0.11000E+01 volume 0.50297E-03 ppm1 7.438 ppm2 3.652 CV 1 ASSI { 3312} (( segid " " and resid 136 and name HN )) (( segid " " and resid 133 and name HB1 )) 5.500 1.000 0.500 peak 3312 spectrum 1 weight 0.11000E+01 volume 0.31813E-03 ppm1 7.509 ppm2 3.920 CV 1 ASSI { 3313} (( segid " " and resid 105 and name HN )) (( segid " " and resid 133 and name HB1 )) 5.000 1.000 1.000 peak 3313 spectrum 1 weight 0.11000E+01 volume 0.37369E-03 ppm1 6.919 ppm2 3.922 CV 1 ASSI { 3314} (( segid " " and resid 108 and name HN )) (( segid " " and resid 112 and name HG )) 5.000 1.000 1.000 peak 3314 spectrum 1 weight 0.11000E+01 volume 0.43087E-03 ppm1 7.511 ppm2 4.733 CV 1 ASSI { 3319} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HA )) 4.500 1.000 1.500 peak 3319 spectrum 1 weight 0.11000E+01 volume 0.39014E-03 ppm1 8.246 ppm2 4.482 CV 1 ASSI { 3320} (( segid " " and resid 109 and name HN )) (( segid " " and resid 107 and name HA )) 5.000 1.500 1.000 peak 3320 spectrum 1 weight 0.11000E+01 volume 0.35375E-03 ppm1 8.247 ppm2 4.655 CV 1 ASSI { 3321} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG1 )) 4.000 1.000 1.000 peak 3321 spectrum 1 weight 0.11000E+01 volume 0.38770E-03 ppm1 7.160 ppm2 1.146 CV 1 ASSI { 3322} (( segid " " and resid 20 and name HD21)) (( segid " " and resid 6 and name HB2 )) 3.900 1.000 1.000 peak 3322 spectrum 1 weight 0.11000E+01 volume 0.47584E-03 ppm1 7.000 ppm2 3.679 CV 1 ASSI { 3324} (( segid " " and resid 20 and name HD21)) (( segid " " and resid 7 and name HG1 )) 5.000 1.000 1.000 peak 3324 spectrum 1 weight 0.11000E+01 volume 0.44095E-03 ppm1 7.005 ppm2 2.043 CV 1 ASSI { 3325} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 7 and name HG1 )) 5.500 1.000 0.500 peak 3325 spectrum 1 weight 0.11000E+01 volume 0.33052E-03 ppm1 8.862 ppm2 2.064 CV 1 ASSI { 3326} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 6 and name HB2 )) 4.000 1.000 1.500 peak 3326 spectrum 1 weight 0.11000E+01 volume 0.44365E-03 ppm1 8.858 ppm2 3.654 CV 1 ASSI { 3327} (( segid " " and resid 20 and name HD22)) (( segid " " and resid 20 and name HA )) 4.700 1.000 1.000 peak 3327 spectrum 1 weight 0.11000E+01 volume 0.30579E-03 ppm1 8.863 ppm2 3.991 CV 1 ASSI { 3328} (( segid " " and resid 20 and name HD21)) (( segid " " and resid 20 and name HB2 )) 4.000 1.000 1.000 peak 3328 spectrum 1 weight 0.11000E+01 volume 0.34556E-03 ppm1 6.995 ppm2 2.358 CV 1 ASSI { 3334} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HD22)) 3.300 1.000 1.500 peak 3334 spectrum 1 weight 0.11000E+01 volume 0.29059E-03 ppm1 8.547 ppm2 9.535 CV 1 ASSI { 3336} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 3336 spectrum 1 weight 0.11000E+01 volume 0.27514E-02 ppm1 8.547 ppm2 5.412 CV 1 ASSI { 3339} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 3.600 1.000 1.000 peak 3339 spectrum 1 weight 0.11000E+01 volume 0.72406E-03 ppm1 8.554 ppm2 4.239 CV 1 ASSI { 3341} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.300 1.000 1.000 peak 3341 spectrum 1 weight 0.11000E+01 volume 0.96515E-03 ppm1 8.555 ppm2 3.203 CV 1 ASSI { 3344} (( segid " " and resid 10 and name HN )) (( segid " " and resid 16 and name HA )) 4.000 1.000 1.000 peak 3344 spectrum 1 weight 0.11000E+01 volume 0.54230E-03 ppm1 8.551 ppm2 3.948 CV 1 ASSI { 3348} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.000 1.500 peak 3348 spectrum 1 weight 0.11000E+01 volume 0.51927E-03 ppm1 6.717 ppm2 3.207 CV 1 ASSI { 3349} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HB1 )) 5.000 1.000 1.000 peak 3349 spectrum 1 weight 0.11000E+01 volume 0.32846E-03 ppm1 8.701 ppm2 2.434 CV 1 ASSI { 3351} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HB2 )) 5.000 1.000 1.000 peak 3351 spectrum 1 weight 0.11000E+01 volume 0.47998E-03 ppm1 8.694 ppm2 3.219 CV 1 ASSI { 3353} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HG2 )) 3.500 1.000 1.000 peak 3353 spectrum 1 weight 0.11000E+01 volume 0.95255E-03 ppm1 8.881 ppm2 1.495 CV 1 ASSI { 3356} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HE2 )) 5.500 1.500 0.500 peak 3356 spectrum 1 weight 0.11000E+01 volume 0.22750E-03 ppm1 8.871 ppm2 3.153 CV 1 ASSI { 3357} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HD1 )) 5.000 1.000 1.000 peak 3357 spectrum 1 weight 0.11000E+01 volume 0.15192E-02 ppm1 8.797 ppm2 1.672 CV 1 ASSI { 3358} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.000 1.500 peak 3358 spectrum 1 weight 0.11000E+01 volume 0.12515E-02 ppm1 8.797 ppm2 1.797 CV 1 ASSI { 3363} (( segid " " and resid 8 and name HN )) ( segid " " and resid 78 and name HD1%) 5.500 1.000 0.500 peak 3363 spectrum 1 weight 0.11000E+01 volume 0.31854E-03 ppm1 8.701 ppm2 0.011 CV 1 ASSI { 3364} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 4.000 1.000 1.000 peak 3364 spectrum 1 weight 0.11000E+01 volume 0.33222E-03 ppm1 8.453 ppm2 8.745 CV 1 ASSI { 3372} (( segid " " and resid 91 and name HN )) ( segid " " and resid 94 and name HD2%) 4.200 1.100 1.100 peak 3372 spectrum 1 weight 0.11000E+01 volume 0.72685E-03 ppm1 7.284 ppm2 0.800 CV 1 ASSI { 3374} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.300 1.000 1.000 peak 3374 spectrum 1 weight 0.11000E+01 volume 0.25585E-02 ppm1 8.456 ppm2 1.542 CV 1 ASSI { 3377} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 3377 spectrum 1 weight 0.11000E+01 volume 0.19421E-02 ppm1 8.301 ppm2 1.985 CV 1 ASSI { 3378} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 4.600 1.000 1.000 peak 3378 spectrum 1 weight 0.11000E+01 volume 0.67939E-03 ppm1 9.015 ppm2 1.993 CV 1 ASSI { 3379} (( segid " " and resid 46 and name HN )) ( segid " " and resid 53 and name HG2%) 5.000 1.000 1.000 peak 3379 spectrum 1 weight 0.11000E+01 volume 0.37049E-03 ppm1 8.085 ppm2 1.034 CV 1 ASSI { 3383} (( segid " " and resid 68 and name HN )) (( segid " " and resid 54 and name HA2 )) 5.000 1.000 0.500 peak 3383 spectrum 1 weight 0.11000E+01 volume 0.45158E-03 ppm1 7.225 ppm2 4.383 CV 1 ASSI { 3384} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HG2 )) 3.500 1.000 1.000 peak 3384 spectrum 1 weight 0.11000E+01 volume 0.99919E-03 ppm1 9.204 ppm2 1.393 CV 1 ASSI { 3385} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 4.400 1.000 1.000 peak 3385 spectrum 1 weight 0.11000E+01 volume 0.42967E-03 ppm1 9.196 ppm2 1.730 CV 1 ASSI { 3386} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD2 )) 3.200 1.000 1.000 peak 3386 spectrum 1 weight 0.11000E+01 volume 0.70547E-03 ppm1 9.204 ppm2 1.673 CV 1 ASSI { 3387} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD1 )) 4.200 1.500 1.500 peak 3387 spectrum 1 weight 0.11000E+01 volume 0.70900E-03 ppm1 9.206 ppm2 1.633 CV 1 ASSI { 3388} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HB2 )) 5.000 1.000 1.000 peak 3388 spectrum 1 weight 0.11000E+01 volume 0.44062E-03 ppm1 7.503 ppm2 1.767 CV 1 ASSI { 3389} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HB1 )) 4.500 1.000 1.000 peak 3389 spectrum 1 weight 0.11000E+01 volume 0.72412E-03 ppm1 7.508 ppm2 1.621 CV 1 ASSI { 3391} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HG1 )) 3.500 1.500 1.500 peak 3391 spectrum 1 weight 0.11000E+01 volume 0.16473E-02 ppm1 8.233 ppm2 1.312 CV 1 ASSI { 3392} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HG2 )) 3.100 1.000 1.000 peak 3392 spectrum 1 weight 0.11000E+01 volume 0.19017E-02 ppm1 8.233 ppm2 1.391 CV 1 ASSI { 3393} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG2 )) 3.200 1.000 1.000 peak 3393 spectrum 1 weight 0.11000E+01 volume 0.39874E-03 ppm1 9.034 ppm2 2.074 CV 1 ASSI { 3396} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HB2 )) 5.000 1.500 1.000 peak 3396 spectrum 1 weight 0.11000E+01 volume 0.34658E-03 ppm1 6.624 ppm2 1.787 CV 1 ASSI { 3397} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HB2 )) 3.600 1.000 1.000 peak 3397 spectrum 1 weight 0.11000E+01 volume 0.37698E-03 ppm1 6.903 ppm2 1.762 CV 1 ASSI { 3398} (( segid " " and resid 79 and name HE22)) ( segid " " and resid 74 and name HG2%) 4.500 1.000 1.500 peak 3398 spectrum 1 weight 0.11000E+01 volume 0.56418E-03 ppm1 6.903 ppm2 0.713 CV 1 ASSI { 3405} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HG2%) 3.100 1.000 1.500 peak 3405 spectrum 1 weight 0.11000E+01 volume 0.26456E-02 ppm1 8.068 ppm2 1.005 CV 1 ASSI { 3407} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG11)) 5.500 1.000 0.500 peak 3407 spectrum 1 weight 0.11000E+01 volume 0.33375E-03 ppm1 7.935 ppm2 1.327 CV 1 ASSI { 3411} (( segid " " and resid 99 and name HN )) (( segid " " and resid 126 and name HB1 )) 3.400 1.000 1.100 peak 3411 spectrum 1 weight 0.11000E+01 volume 0.58110E-03 ppm1 9.250 ppm2 0.978 CV 1 ASSI { 3413} (( segid " " and resid 99 and name HN )) ( segid " " and resid 126 and name HD2%) 5.500 1.000 0.500 peak 3413 spectrum 1 weight 0.11000E+01 volume 0.41616E-03 ppm1 9.252 ppm2 1.031 CV 1 ASSI { 3414} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE2 )) 5.000 1.000 1.000 peak 3414 spectrum 1 weight 0.11000E+01 volume 0.44999E-03 ppm1 8.117 ppm2 2.924 CV 1 ASSI { 3415} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HB1 )) 5.000 1.000 1.000 peak 3415 spectrum 1 weight 0.11000E+01 volume 0.31845E-03 ppm1 8.057 ppm2 2.919 CV 1 ASSI { 3423} (( segid " " and resid 44 and name HN )) (( segid " " and resid 82 and name HH )) 4.500 1.000 1.500 peak 3423 spectrum 1 weight 0.11000E+01 volume 0.67678E-03 ppm1 6.517 ppm2 9.651 CV 1 ASSI { 3427} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.100 1.000 1.000 peak 3427 spectrum 1 weight 0.11000E+01 volume 0.11462E-02 ppm1 6.515 ppm2 4.353 CV 1 ASSI { 3428} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 4.500 1.000 1.000 peak 3428 spectrum 1 weight 0.11000E+01 volume 0.36852E-03 ppm1 6.519 ppm2 3.843 CV 1 ASSI { 3429} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.500 1.000 1.000 peak 3429 spectrum 1 weight 0.11000E+01 volume 0.17137E-02 ppm1 6.518 ppm2 2.916 CV 1 ASSI { 3431} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA1 )) 3.100 1.000 1.000 peak 3431 spectrum 1 weight 0.11000E+01 volume 0.17652E-02 ppm1 6.518 ppm2 1.945 CV 1 ASSI { 3434} (( segid " " and resid 15 and name HN )) (( segid " " and resid 10 and name HB1 )) 4.700 1.500 1.300 peak 3434 spectrum 1 weight 0.11000E+01 volume 0.52054E-03 ppm1 7.681 ppm2 2.427 CV 1 ASSI { 3439} (( segid " " and resid 129 and name HN )) (( segid " " and resid 117 and name HB1 )) 4.600 1.500 1.000 peak 3439 spectrum 1 weight 0.11000E+01 volume 0.81631E-03 ppm1 9.175 ppm2 1.444 CV 1 ASSI { 3441} (( segid " " and resid 98 and name HN )) (( segid " " and resid 81 and name HA )) 5.000 1.000 1.000 peak 3441 spectrum 1 weight 0.11000E+01 volume 0.42700E-03 ppm1 9.117 ppm2 4.833 CV 1 ASSI { 3445} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG )) 4.400 1.500 1.500 peak 3445 spectrum 1 weight 0.11000E+01 volume 0.32238E-02 ppm1 8.442 ppm2 1.533 CV 1 ASSI { 3447} (( segid " " and resid 21 and name HN )) ( segid " " and resid 134 and name HD1%) 4.300 1.000 1.500 peak 3447 spectrum 1 weight 0.11000E+01 volume 0.52917E-03 ppm1 8.779 ppm2 0.684 CV 1 ASSI { 3448} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 1.000 1.000 peak 3448 spectrum 1 weight 0.11000E+01 volume 0.16919E-02 ppm1 7.533 ppm2 1.354 CV 1 ASSI { 3451} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.800 1.500 1.000 peak 3451 spectrum 1 weight 0.11000E+01 volume 0.33757E-02 ppm1 7.536 ppm2 1.676 CV 1 ASSI { 3456} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA2 )) 3.300 1.000 1.000 peak 3456 spectrum 1 weight 0.11000E+01 volume 0.11500E-02 ppm1 6.295 ppm2 4.528 CV 1 ASSI { 3457} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 4.000 1.500 1.000 peak 3457 spectrum 1 weight 0.11000E+01 volume 0.11007E-02 ppm1 6.294 ppm2 4.643 CV 1 ASSI { 3458} (( segid " " and resid 56 and name HN )) (( segid " " and resid 39 and name HB1 )) 5.000 1.000 1.000 peak 3458 spectrum 1 weight 0.11000E+01 volume 0.40520E-03 ppm1 9.161 ppm2 1.618 CV 1 ASSI { 3463} (( segid " " and resid 80 and name HN )) (( segid " " and resid 100 and name HB )) 3.300 1.000 1.500 peak 3463 spectrum 1 weight 0.11000E+01 volume 0.10563E-02 ppm1 8.785 ppm2 1.526 CV 1 ASSI { 3465} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG1%) 3.300 1.000 1.000 peak 3465 spectrum 1 weight 0.11000E+01 volume 0.14072E-02 ppm1 8.849 ppm2 0.694 CV 1 ASSI { 3470} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.300 1.000 1.000 peak 3470 spectrum 1 weight 0.11000E+01 volume 0.38426E-03 ppm1 7.981 ppm2 4.246 CV 1 ASSI { 3472} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 1.000 0.400 peak 3472 spectrum 1 weight 0.11000E+01 volume 0.15861E-01 ppm1 8.929 ppm2 4.062 CV 1 ASSI { 3473} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 1.000 0.500 peak 3473 spectrum 1 weight 0.11000E+01 volume 0.13843E-01 ppm1 8.929 ppm2 4.094 CV 1 ASSI { 3476} (( segid " " and resid 46 and name HN )) (( segid " " and resid 54 and name HA2 )) 3.400 1.000 1.100 peak 3476 spectrum 1 weight 0.11000E+01 volume 0.40515E-03 ppm1 8.088 ppm2 4.384 CV 1 ASSI { 3478} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 0.700 peak 3478 spectrum 1 weight 0.11000E+01 volume 0.43076E-02 ppm1 8.126 ppm2 4.474 CV 1 ASSI { 3479} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.800 1.000 1.000 peak 3479 spectrum 1 weight 0.11000E+01 volume 0.45845E-02 ppm1 8.125 ppm2 4.531 CV 1 ASSI { 3482} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.300 1.000 1.000 peak 3482 spectrum 1 weight 0.11000E+01 volume 0.30303E-02 ppm1 7.926 ppm2 4.568 CV 1 ASSI { 3484} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HA )) 4.400 1.000 1.000 peak 3484 spectrum 1 weight 0.11000E+01 volume 0.13490E-02 ppm1 7.924 ppm2 4.476 CV 1 ASSI { 3485} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.300 1.000 1.000 peak 3485 spectrum 1 weight 0.11000E+01 volume 0.19020E-02 ppm1 8.080 ppm2 1.505 CV 1 ASSI { 3489} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD2%) 2.800 1.000 1.000 peak 3489 spectrum 1 weight 0.11000E+01 volume 0.25237E-02 ppm1 8.456 ppm2 0.800 CV 1 ASSI { 3491} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HD2%) 4.300 1.000 1.000 peak 3491 spectrum 1 weight 0.11000E+01 volume 0.22216E-02 ppm1 8.118 ppm2 0.803 CV 1 ASSI { 3492} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 2.800 1.000 1.000 peak 3492 spectrum 1 weight 0.11000E+01 volume 0.23269E-03 ppm1 8.199 ppm2 9.268 CV 1 ASSI { 3493} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB1 )) 5.000 1.000 1.000 peak 3493 spectrum 1 weight 0.11000E+01 volume 0.42432E-03 ppm1 8.196 ppm2 1.634 CV 1 ASSI { 3494} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 4.500 1.000 1.000 peak 3494 spectrum 1 weight 0.11000E+01 volume 0.56811E-03 ppm1 7.458 ppm2 4.017 CV 1 ASSI { 3495} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HD% ) 4.900 1.000 1.000 peak 3495 spectrum 1 weight 0.11000E+01 volume 0.36224E-03 ppm1 7.452 ppm2 7.213 CV 1 ASSI { 3496} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HE% ) 5.000 1.000 1.000 peak 3496 spectrum 1 weight 0.11000E+01 volume 0.27557E-03 ppm1 7.453 ppm2 7.102 CV 1 ASSI { 3498} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HN )) 4.800 1.000 1.000 peak 3498 spectrum 1 weight 0.11000E+01 volume 0.27682E-03 ppm1 7.457 ppm2 8.079 CV 1 ASSI { 3499} (( segid " " and resid 28 and name HN )) (( segid " " and resid 39 and name HA )) 4.800 1.000 1.000 peak 3499 spectrum 1 weight 0.11000E+01 volume 0.28577E-03 ppm1 9.222 ppm2 5.212 CV 1 ASSI { 3500} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 5.000 1.000 1.000 peak 3500 spectrum 1 weight 0.11000E+01 volume 0.38611E-03 ppm1 9.223 ppm2 8.880 CV 1 ASSI { 3503} (( segid " " and resid 29 and name HN )) (( segid " " and resid 39 and name HG1 )) 4.500 1.500 1.500 peak 3503 spectrum 1 weight 0.11000E+01 volume 0.82066E-03 ppm1 8.881 ppm2 1.328 CV 1 ASSI { 3509} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 4.300 1.500 1.500 peak 3509 spectrum 1 weight 0.11000E+01 volume 0.12115E-02 ppm1 6.594 ppm2 6.499 CV 1 ASSI { 3511} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.300 1.000 1.000 peak 3511 spectrum 1 weight 0.11000E+01 volume 0.18936E-02 ppm1 8.878 ppm2 1.827 CV 1 ASSI { 3512} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.800 1.500 1.500 peak 3512 spectrum 1 weight 0.11000E+01 volume 0.12318E-02 ppm1 8.878 ppm2 1.753 CV 1 ASSI { 3513} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HG1 )) 3.000 1.500 1.500 peak 3513 spectrum 1 weight 0.11000E+01 volume 0.95255E-03 ppm1 8.880 ppm2 1.494 CV 1 ASSI { 3515} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HG2 )) 5.000 1.500 1.000 peak 3515 spectrum 1 weight 0.11000E+01 volume 0.11535E-02 ppm1 8.798 ppm2 1.495 CV 1 ASSI { 3517} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 3517 spectrum 1 weight 0.11000E+01 volume 0.65901E-03 ppm1 8.798 ppm2 1.826 CV 1 ASSI { 3522} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB1 )) 5.000 1.500 1.000 peak 3522 spectrum 1 weight 0.11000E+01 volume 0.38206E-03 ppm1 6.291 ppm2 1.809 CV 1 ASSI { 3524} (( segid " " and resid 65 and name HN )) (( segid " " and resid 96 and name HB2 )) 4.000 1.500 1.500 peak 3524 spectrum 1 weight 0.11000E+01 volume 0.55140E-03 ppm1 6.289 ppm2 3.208 CV 1 ASSI { 3529} (( segid " " and resid 65 and name HN )) (( segid " " and resid 86 and name HN )) 4.500 1.000 1.000 peak 3529 spectrum 1 weight 0.11000E+01 volume 0.42497E-03 ppm1 6.296 ppm2 8.129 CV 1 ASSI { 3530} (( segid " " and resid 65 and name HN )) (( segid " " and resid 85 and name HN )) 5.500 1.000 0.500 peak 3530 spectrum 1 weight 0.11000E+01 volume 0.32115E-03 ppm1 6.295 ppm2 8.406 CV 1 ASSI { 3531} (( segid " " and resid 66 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.600 1.000 1.000 peak 3531 spectrum 1 weight 0.11000E+01 volume 0.33810E-03 ppm1 9.072 ppm2 2.665 CV 1 ASSI { 3533} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HD21)) 3.500 1.500 1.500 peak 3533 spectrum 1 weight 0.11000E+01 volume 0.79740E-03 ppm1 7.223 ppm2 6.563 CV 1 ASSI { 3535} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 4.600 1.500 1.400 peak 3535 spectrum 1 weight 0.11000E+01 volume 0.88019E-03 ppm1 7.225 ppm2 7.127 CV 1 ASSI { 3539} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 3.500 1.500 1.500 peak 3539 spectrum 1 weight 0.11000E+01 volume 0.25684E-03 ppm1 8.266 ppm2 4.517 CV 1 ASSI { 3540} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HA2 )) 5.000 1.000 1.000 peak 3540 spectrum 1 weight 0.11000E+01 volume 0.42799E-03 ppm1 8.283 ppm2 4.270 CV 1 ASSI { 3542} (( segid " " and resid 58 and name HN )) (( segid " " and resid 38 and name HA )) 3.700 1.500 2.300 peak 3542 spectrum 1 weight 0.11000E+01 volume 0.55519E-03 ppm1 8.525 ppm2 4.625 CV 1 ASSI { 3544} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 4.400 1.000 1.000 peak 3544 spectrum 1 weight 0.11000E+01 volume 0.57120E-03 ppm1 9.506 ppm2 9.613 CV 1 ASSI { 3547} (( segid " " and resid 29 and name HN )) ( segid " " and resid 30 and name HG2%) 4.000 1.500 1.500 peak 3547 spectrum 1 weight 0.11000E+01 volume 0.74289E-03 ppm1 8.865 ppm2 0.909 CV 1 ASSI { 3552} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG12)) 4.800 1.000 1.000 peak 3552 spectrum 1 weight 0.11000E+01 volume 0.45126E-03 ppm1 8.051 ppm2 1.430 CV 1 ASSI { 3553} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 2.800 1.500 1.500 peak 3553 spectrum 1 weight 0.11000E+01 volume 0.31381E-02 ppm1 8.053 ppm2 1.870 CV 1 ASSI { 3557} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.400 2.500 1.600 peak 3557 spectrum 1 weight 0.11000E+01 volume 0.71693E-03 ppm1 9.467 ppm2 3.677 CV 1 ASSI { 3558} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 3558 spectrum 1 weight 0.11000E+01 volume 0.35263E-03 ppm1 9.470 ppm2 4.620 CV 1 ASSI { 3561} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 4.500 1.500 1.500 peak 3561 spectrum 1 weight 0.11000E+01 volume 0.22851E-02 ppm1 8.891 ppm2 0.597 CV 1 ASSI { 3563} (( segid " " and resid 56 and name HN )) ( segid " " and resid 53 and name HG2%) 4.500 1.500 1.500 peak 3563 spectrum 1 weight 0.11000E+01 volume 0.59314E-03 ppm1 9.153 ppm2 1.017 CV 1 ASSI { 3564} (( segid " " and resid 57 and name HN )) (( segid " " and resid 62 and name HB )) 4.600 1.000 1.000 peak 3564 spectrum 1 weight 0.11000E+01 volume 0.36095E-03 ppm1 8.535 ppm2 1.456 CV 1 ASSI { 3565} (( segid " " and resid 57 and name HN )) ( segid " " and resid 64 and name HB% ) 4.500 1.000 1.000 peak 3565 spectrum 1 weight 0.11000E+01 volume 0.34447E-03 ppm1 8.532 ppm2 0.985 CV 1 ASSI { 3566} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) 4.500 1.000 1.000 peak 3566 spectrum 1 weight 0.11000E+01 volume 0.26403E-03 ppm1 8.798 ppm2 0.237 CV 1 ASSI { 3570} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG )) 4.500 1.000 1.000 peak 3570 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 9.222 ppm2 1.235 CV 1 ASSI { 3572} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HB% ) 2.800 1.000 1.000 peak 3572 spectrum 1 weight 0.11000E+01 volume 0.27703E-02 ppm1 9.154 ppm2 1.227 CV 1 ASSI { 3575} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.200 1.000 1.000 peak 3575 spectrum 1 weight 0.11000E+01 volume 0.20326E-02 ppm1 8.520 ppm2 2.087 CV 1 ASSI { 3578} (( segid " " and resid 5 and name HN )) (( segid " " and resid 69 and name HB2 )) 5.000 1.000 1.000 peak 3578 spectrum 1 weight 0.11000E+01 volume 0.47017E-03 ppm1 8.674 ppm2 2.293 CV 1 ASSI { 3583} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HD% ) 5.000 1.000 1.000 peak 3583 spectrum 1 weight 0.11000E+01 volume 0.46045E-03 ppm1 9.523 ppm2 7.030 CV 1 ASSI { 3585} (( segid " " and resid 99 and name HN )) ( segid " " and resid 128 and name HE% ) 5.000 1.000 1.000 peak 3585 spectrum 1 weight 0.11000E+01 volume 0.37977E-03 ppm1 9.235 ppm2 7.027 CV 1 ASSI { 3586} (( segid " " and resid 99 and name HN )) ( segid " " and resid 128 and name HD% ) 4.500 1.000 1.000 peak 3586 spectrum 1 weight 0.11000E+01 volume 0.30365E-03 ppm1 9.251 ppm2 6.786 CV 1 ASSI { 3587} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.100 1.000 1.000 peak 3587 spectrum 1 weight 0.11000E+01 volume 0.19515E-02 ppm1 8.788 ppm2 1.329 CV 1 ASSI { 3588} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 4.400 1.000 1.100 peak 3588 spectrum 1 weight 0.11000E+01 volume 0.27455E-03 ppm1 8.843 ppm2 7.977 CV 1 ASSI { 3591} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.200 1.000 1.000 peak 3591 spectrum 1 weight 0.11000E+01 volume 0.89302E-03 ppm1 6.923 ppm2 4.352 CV 1 ASSI { 3593} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.300 1.500 1.500 peak 3593 spectrum 1 weight 0.11000E+01 volume 0.25438E-02 ppm1 8.737 ppm2 1.518 CV 1 ASSI { 3594} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) 2.800 1.000 1.300 peak 3594 spectrum 1 weight 0.11000E+01 volume 0.21206E-02 ppm1 8.451 ppm2 1.501 CV 1 ASSI { 3595} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.400 1.000 1.000 peak 3595 spectrum 1 weight 0.11000E+01 volume 0.67728E-02 ppm1 8.542 ppm2 1.502 CV 1 ASSI { 3597} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG1 )) 3.500 1.000 1.000 peak 3597 spectrum 1 weight 0.11000E+01 volume 0.91640E-03 ppm1 8.121 ppm2 1.157 CV 1 ASSI { 3598} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) 3.500 1.000 1.000 peak 3598 spectrum 1 weight 0.11000E+01 volume 0.14107E-02 ppm1 8.122 ppm2 1.320 CV 1 ASSI { 3599} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG1 )) 5.000 1.000 1.000 peak 3599 spectrum 1 weight 0.11000E+01 volume 0.39513E-03 ppm1 9.164 ppm2 1.154 CV 1 ASSI { 3601} (( segid " " and resid 85 and name HN )) (( segid " " and resid 97 and name HD1 )) 4.500 1.000 1.500 peak 3601 spectrum 1 weight 0.11000E+01 volume 0.10463E-02 ppm1 8.403 ppm2 1.536 CV 1 ASSI { 3602} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HD1 )) 4.000 1.500 1.500 peak 3602 spectrum 1 weight 0.11000E+01 volume 0.25642E-02 ppm1 8.122 ppm2 1.605 CV 1 ASSI { 3604} (( segid " " and resid 84 and name HN )) (( segid " " and resid 97 and name HD1 )) 4.500 1.500 1.000 peak 3604 spectrum 1 weight 0.11000E+01 volume 0.83913E-03 ppm1 9.439 ppm2 1.540 CV 1 ASSI { 3605} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HD1 )) 5.200 1.000 0.800 peak 3605 spectrum 1 weight 0.11000E+01 volume 0.32996E-03 ppm1 9.161 ppm2 1.600 CV 1 ASSI { 3608} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HG )) 3.800 1.000 1.000 peak 3608 spectrum 1 weight 0.11000E+01 volume 0.21518E-02 ppm1 7.925 ppm2 4.716 CV 1 ASSI { 3609} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG )) 2.800 1.000 1.000 peak 3609 spectrum 1 weight 0.11000E+01 volume 0.16049E-02 ppm1 8.125 ppm2 4.717 CV 1 ASSI { 3610} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.900 1.000 1.000 peak 3610 spectrum 1 weight 0.11000E+01 volume 0.37883E-02 ppm1 7.925 ppm2 4.539 CV 1 ASSI { 3611} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 2.900 1.000 1.000 peak 3611 spectrum 1 weight 0.11000E+01 volume 0.24700E-02 ppm1 7.926 ppm2 4.500 CV 1 ASSI { 3612} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB )) 3.700 1.000 1.000 peak 3612 spectrum 1 weight 0.11000E+01 volume 0.53901E-02 ppm1 8.125 ppm2 4.502 CV 1 ASSI { 3614} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 2.800 1.000 1.000 peak 3614 spectrum 1 weight 0.11000E+01 volume 0.74964E-03 ppm1 9.166 ppm2 1.097 CV 1 ASSI { 3627} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG2 )) 4.500 1.500 1.000 peak 3627 spectrum 1 weight 0.11000E+01 volume 0.31072E-03 ppm1 9.109 ppm2 1.425 CV 1 ASSI { 3628} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HD1 )) 3.700 1.000 1.500 peak 3628 spectrum 1 weight 0.11000E+01 volume 0.71484E-03 ppm1 8.339 ppm2 1.587 CV 1 ASSI { 3632} (( segid " " and resid 98 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.500 1.000 1.000 peak 3632 spectrum 1 weight 0.11000E+01 volume 0.63229E-03 ppm1 9.122 ppm2 2.807 CV 1 ASSI { 3635} (( segid " " and resid 85 and name HN )) (( segid " " and resid 96 and name HB2 )) 5.100 1.500 0.900 peak 3635 spectrum 1 weight 0.11000E+01 volume 0.36288E-03 ppm1 8.413 ppm2 3.231 CV 1 ASSI { 3636} (( segid " " and resid 85 and name HN )) (( segid " " and resid 65 and name HA1 )) 5.000 1.000 1.000 peak 3636 spectrum 1 weight 0.11000E+01 volume 0.38265E-03 ppm1 8.405 ppm2 3.119 CV 1 ASSI { 3638} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) 5.700 1.000 0.300 peak 3638 spectrum 1 weight 0.11000E+01 volume 0.53449E-03 ppm1 8.929 ppm2 3.357 CV 1 ASSI { 3647} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA2 )) 4.700 1.000 1.000 peak 3647 spectrum 1 weight 0.11000E+01 volume 0.50435E-03 ppm1 7.931 ppm2 4.402 CV 1 ASSI { 3650} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HN )) 4.300 1.000 1.000 peak 3650 spectrum 1 weight 0.11000E+01 volume 0.27436E-03 ppm1 7.936 ppm2 8.598 CV 1 ASSI { 3652} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HN )) 5.000 1.000 1.000 peak 3652 spectrum 1 weight 0.11000E+01 volume 0.25608E-03 ppm1 7.929 ppm2 8.045 CV 1 ASSI { 3653} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA1 )) 2.800 1.000 0.700 peak 3653 spectrum 1 weight 0.11000E+01 volume 0.40103E-02 ppm1 7.211 ppm2 3.825 CV 1 ASSI { 3654} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.300 1.000 1.500 peak 3654 spectrum 1 weight 0.11000E+01 volume 0.10625E-02 ppm1 8.243 ppm2 1.642 CV 1 ASSI { 3655} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 4.300 1.000 1.000 peak 3655 spectrum 1 weight 0.11000E+01 volume 0.53355E-03 ppm1 8.796 ppm2 9.446 CV 1 ASSI { 3658} (( segid " " and resid 103 and name HN )) (( segid " " and resid 130 and name HB2 )) 5.000 1.000 1.000 peak 3658 spectrum 1 weight 0.11000E+01 volume 0.34253E-03 ppm1 8.317 ppm2 3.032 CV 1 ASSI { 3659} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 1.000 1.000 peak 3659 spectrum 1 weight 0.11000E+01 volume 0.23121E-02 ppm1 8.325 ppm2 4.210 CV 1 ASSI { 3660} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.500 1.500 1.500 peak 3660 spectrum 1 weight 0.11000E+01 volume 0.10380E-02 ppm1 6.923 ppm2 1.388 CV 1 ASSI { 3661} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.800 1.000 0.800 peak 3661 spectrum 1 weight 0.11000E+01 volume 0.28414E-02 ppm1 8.445 ppm2 1.388 CV 1 ASSI { 3663} (( segid " " and resid 135 and name HN )) ( segid " " and resid 19 and name HD1%) 5.500 1.000 0.500 peak 3663 spectrum 1 weight 0.11000E+01 volume 0.30368E-03 ppm1 6.926 ppm2 -0.117 CV 1 ASSI { 3665} (( segid " " and resid 135 and name HN )) ( segid " " and resid 78 and name HD2%) 5.500 1.000 0.500 peak 3665 spectrum 1 weight 0.11000E+01 volume 0.25080E-03 ppm1 6.924 ppm2 0.372 CV 1 ASSI { 3666} (( segid " " and resid 29 and name HN )) ( segid " " and resid 30 and name HD1%) 5.200 2.000 0.800 peak 3666 spectrum 1 weight 0.11000E+01 volume 0.16613E-02 ppm1 8.874 ppm2 0.582 CV 1 ASSI { 3670} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG2 )) 3.500 1.500 1.500 peak 3670 spectrum 1 weight 0.11000E+01 volume 0.12707E-02 ppm1 8.791 ppm2 1.377 CV 1 ASSI { 3671} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG1 )) 4.500 1.500 1.500 peak 3671 spectrum 1 weight 0.11000E+01 volume 0.75640E-03 ppm1 8.887 ppm2 1.343 CV 1 ASSI { 3672} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.500 1.500 1.500 peak 3672 spectrum 1 weight 0.11000E+01 volume 0.10413E-02 ppm1 8.887 ppm2 1.610 CV 1 ASSI { 3673} (( segid " " and resid 55 and name HN )) ( segid " " and resid 64 and name HB% ) 5.000 1.500 1.000 peak 3673 spectrum 1 weight 0.11000E+01 volume 0.55416E-03 ppm1 7.166 ppm2 0.948 CV 1 ASSI { 3674} (( segid " " and resid 55 and name HN )) (( segid " " and resid 65 and name HN )) 5.000 1.000 1.000 peak 3674 spectrum 1 weight 0.11000E+01 volume 0.42344E-03 ppm1 7.175 ppm2 6.301 CV 1 ASSI { 3679} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB )) 5.500 1.000 0.500 peak 3679 spectrum 1 weight 0.11000E+01 volume 0.28982E-03 ppm1 7.152 ppm2 2.041 CV 1 ASSI { 3680} (( segid " " and resid 56 and name HN )) ( segid " " and resid 46 and name HG1%) 4.400 1.000 1.000 peak 3680 spectrum 1 weight 0.11000E+01 volume 0.19195E-02 ppm1 9.154 ppm2 0.634 CV 1 ASSI { 3681} (( segid " " and resid 9 and name HN )) ( segid " " and resid 16 and name HG1%) 4.900 1.000 1.000 peak 3681 spectrum 1 weight 0.11000E+01 volume 0.37181E-03 ppm1 7.842 ppm2 0.513 CV 1 ASSI { 3682} (( segid " " and resid 121 and name HN )) ( segid " " and resid 119 and name HG1%) 4.100 1.000 1.000 peak 3682 spectrum 1 weight 0.11000E+01 volume 0.30893E-03 ppm1 8.992 ppm2 0.739 CV 1 ASSI { 3683} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.500 1.000 1.000 peak 3683 spectrum 1 weight 0.11000E+01 volume 0.11305E-02 ppm1 8.904 ppm2 3.540 CV 1 ASSI { 3684} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.800 1.500 1.500 peak 3684 spectrum 1 weight 0.11000E+01 volume 0.74985E-03 ppm1 8.906 ppm2 3.580 CV 1 ASSI { 3686} (( segid " " and resid 129 and name HN )) ( segid " " and resid 116 and name HD1%) 5.000 1.000 1.000 peak 3686 spectrum 1 weight 0.11000E+01 volume 0.45510E-03 ppm1 9.170 ppm2 -0.009 CV 1 ASSI { 3687} (( segid " " and resid 129 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.300 1.000 1.000 peak 3687 spectrum 1 weight 0.11000E+01 volume 0.83229E-03 ppm1 9.172 ppm2 1.524 CV 1 ASSI { 3689} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 5.000 1.500 1.000 peak 3689 spectrum 1 weight 0.11000E+01 volume 0.50850E-03 ppm1 9.486 ppm2 3.038 CV 1 ASSI { 3690} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 4.200 1.000 1.300 peak 3690 spectrum 1 weight 0.11000E+01 volume 0.31122E-03 ppm1 9.469 ppm2 2.144 CV 1 ASSI { 3693} (( segid " " and resid 131 and name HN )) (( segid " " and resid 115 and name HB1 )) 5.500 1.000 0.500 peak 3693 spectrum 1 weight 0.11000E+01 volume 0.36749E-03 ppm1 9.488 ppm2 1.507 CV 1 ASSI { 3694} (( segid " " and resid 130 and name HN )) ( segid " " and resid 100 and name HG2%) 4.000 1.000 1.000 peak 3694 spectrum 1 weight 0.11000E+01 volume 0.35883E-03 ppm1 8.904 ppm2 0.051 CV 1 ASSI { 3697} (( segid " " and resid 131 and name HN )) ( segid " " and resid 132 and name HG2%) 5.600 1.000 0.400 peak 3697 spectrum 1 weight 0.11000E+01 volume 0.25109E-03 ppm1 9.482 ppm2 0.936 CV 1 ASSI { 3700} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 3.900 1.500 1.500 peak 3700 spectrum 1 weight 0.11000E+01 volume 0.61502E-03 ppm1 9.471 ppm2 1.489 CV 1 ASSI { 3701} (( segid " " and resid 38 and name HN )) ( segid " " and resid 30 and name HG2%) 5.500 1.500 0.500 peak 3701 spectrum 1 weight 0.11000E+01 volume 0.97323E-03 ppm1 9.472 ppm2 0.899 CV 1 ASSI { 3702} (( segid " " and resid 38 and name HN )) ( segid " " and resid 29 and name HG2%) 4.300 1.500 1.500 peak 3702 spectrum 1 weight 0.11000E+01 volume 0.64518E-03 ppm1 9.471 ppm2 1.009 CV 1 ASSI { 3703} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HE3 )) 5.500 1.000 0.500 peak 3703 spectrum 1 weight 0.11000E+01 volume 0.34594E-03 ppm1 9.486 ppm2 6.879 CV 1 ASSI { 3706} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HD2 )) 5.000 1.000 1.000 peak 3706 spectrum 1 weight 0.11000E+01 volume 0.35131E-03 ppm1 8.072 ppm2 7.176 CV 1 ASSI { 3708} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HD2 )) 3.300 1.500 1.500 peak 3708 spectrum 1 weight 0.11000E+01 volume 0.11713E-02 ppm1 8.246 ppm2 1.649 CV 1 ASSI { 3710} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.000 1.000 1.500 peak 3710 spectrum 1 weight 0.11000E+01 volume 0.31328E-02 ppm1 8.919 ppm2 3.762 CV 1 ASSI { 3711} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.000 1.000 1.200 peak 3711 spectrum 1 weight 0.11000E+01 volume 0.13825E-02 ppm1 8.854 ppm2 3.726 CV 1 ASSI { 3712} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.300 1.000 1.400 peak 3712 spectrum 1 weight 0.11000E+01 volume 0.14900E-02 ppm1 8.856 ppm2 3.763 CV 1 ASSI { 3714} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HG2 )) 5.000 1.000 1.000 peak 3714 spectrum 1 weight 0.11000E+01 volume 0.47701E-03 ppm1 8.907 ppm2 2.076 CV 1 ASSI { 3715} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.100 1.000 1.400 peak 3715 spectrum 1 weight 0.11000E+01 volume 0.29666E-03 ppm1 7.555 ppm2 2.757 CV 1 ASSI { 3717} (( segid " " and resid 77 and name HN )) ( segid " " and resid 73 and name HD% ) 5.000 1.000 1.000 peak 3717 spectrum 1 weight 0.11000E+01 volume 0.26157E-03 ppm1 7.558 ppm2 6.784 CV 1 ASSI { 3719} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) 4.100 1.000 1.500 peak 3719 spectrum 1 weight 0.11000E+01 volume 0.41686E-03 ppm1 7.559 ppm2 8.929 CV 1 ASSI { 3723} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HA )) 4.200 1.000 1.000 peak 3723 spectrum 1 weight 0.11000E+01 volume 0.30459E-03 ppm1 6.856 ppm2 4.860 CV 1 ASSI { 3727} (( segid " " and resid 17 and name HN )) ( segid " " and resid 78 and name HD1%) 5.500 1.000 0.500 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.26308E-03 ppm1 9.086 ppm2 0.017 CV 1 ASSI { 3728} (( segid " " and resid 88 and name HN )) ( segid " " and resid 92 and name HD1%) 4.000 1.500 1.000 peak 3728 spectrum 1 weight 0.11000E+01 volume 0.63868E-03 ppm1 8.198 ppm2 0.723 CV 1 ASSI { 3729} (( segid " " and resid 88 and name HN )) (( segid " " and resid 95 and name HG1 )) 5.000 1.000 1.000 peak 3729 spectrum 1 weight 0.11000E+01 volume 0.49726E-03 ppm1 8.203 ppm2 1.160 CV 1 ASSI { 3737} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.900 1.000 1.000 peak 3737 spectrum 1 weight 0.11000E+01 volume 0.64485E-03 ppm1 9.120 ppm2 5.379 CV 1 ASSI { 3739} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG1 )) 3.000 1.000 1.500 peak 3739 spectrum 1 weight 0.11000E+01 volume 0.44138E-03 ppm1 9.288 ppm2 2.178 CV 1 ASSI { 3740} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG11)) 2.800 1.000 1.000 peak 3740 spectrum 1 weight 0.11000E+01 volume 0.24573E-02 ppm1 9.527 ppm2 0.902 CV 1 ASSI { 3741} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG11)) 4.500 1.000 1.000 peak 3741 spectrum 1 weight 0.11000E+01 volume 0.49280E-02 ppm1 8.836 ppm2 0.904 CV 1 ASSI { 3742} (( segid " " and resid 137 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.600 1.000 1.000 peak 3742 spectrum 1 weight 0.11000E+01 volume 0.86006E-03 ppm1 8.856 ppm2 2.625 CV 1 ASSI { 3747} (( segid " " and resid 106 and name HN )) ( segid " " and resid 108 and name HB% ) 5.000 1.500 1.000 peak 3747 spectrum 1 weight 0.11000E+01 volume 0.47291E-03 ppm1 9.200 ppm2 1.540 CV 1 ASSI { 3749} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HD1%) 5.500 1.000 0.500 peak 3749 spectrum 1 weight 0.11000E+01 volume 0.24679E-03 ppm1 9.109 ppm2 0.674 CV 1 ASSI { 3750} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 3.200 1.000 1.500 peak 3750 spectrum 1 weight 0.11000E+01 volume 0.23682E-02 ppm1 8.323 ppm2 1.115 CV 1 ASSI { 3752} (( segid " " and resid 103 and name HN )) ( segid " " and resid 135 and name HB% ) 4.500 1.500 1.500 peak 3752 spectrum 1 weight 0.11000E+01 volume 0.17971E-02 ppm1 8.325 ppm2 1.049 CV 1 ASSI { 3762} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) 3.500 1.500 1.500 peak 3762 spectrum 1 weight 0.11000E+01 volume 0.43492E-02 ppm1 6.720 ppm2 7.686 CV 1 ASSI { 3763} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HG2%) 4.000 1.500 1.500 peak 3763 spectrum 1 weight 0.11000E+01 volume 0.66178E-03 ppm1 8.783 ppm2 0.874 CV 1 ASSI { 3768} (( segid " " and resid 64 and name HN )) (( segid " " and resid 56 and name HB1 )) 5.000 1.000 1.000 peak 3768 spectrum 1 weight 0.11000E+01 volume 0.75352E-03 ppm1 8.798 ppm2 3.051 CV 1 ASSI { 3769} (( segid " " and resid 64 and name HN )) (( segid " " and resid 56 and name HB2 )) 4.000 1.500 1.500 peak 3769 spectrum 1 weight 0.11000E+01 volume 0.64556E-03 ppm1 8.805 ppm2 3.206 CV 1 ASSI { 3779} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) 3.300 1.000 1.000 peak 3779 spectrum 1 weight 0.11000E+01 volume 0.20096E-02 ppm1 8.691 ppm2 2.088 CV 1 ASSI { 3780} (( segid " " and resid 8 and name HN )) ( segid " " and resid 71 and name HD1%) 4.300 1.500 1.500 peak 3780 spectrum 1 weight 0.11000E+01 volume 0.30313E-02 ppm1 8.685 ppm2 0.483 CV 1 ASSI { 3781} (( segid " " and resid 8 and name HN )) ( segid " " and resid 16 and name HG1%) 4.400 1.500 1.500 peak 3781 spectrum 1 weight 0.11000E+01 volume 0.29207E-02 ppm1 8.691 ppm2 0.508 CV 1 ASSI { 3782} (( segid " " and resid 18 and name HN )) ( segid " " and resid 19 and name HD1%) 5.000 1.000 1.000 peak 3782 spectrum 1 weight 0.11000E+01 volume 0.38141E-03 ppm1 8.533 ppm2 -0.114 CV 1 ASSI { 3784} (( segid " " and resid 18 and name HN )) ( segid " " and resid 16 and name HG2%) 5.000 1.000 1.000 peak 3784 spectrum 1 weight 0.11000E+01 volume 0.44780E-03 ppm1 8.528 ppm2 0.720 CV 1 ASSI { 3787} (( segid " " and resid 18 and name HN )) (( segid " " and resid 7 and name HB2 )) 4.000 1.000 1.000 peak 3787 spectrum 1 weight 0.11000E+01 volume 0.44420E-03 ppm1 8.539 ppm2 2.082 CV 1 ASSI { 3789} (( segid " " and resid 70 and name HN )) ( segid " " and resid 80 and name HD2%) 5.000 1.500 1.000 peak 3789 spectrum 1 weight 0.11000E+01 volume 0.57824E-03 ppm1 8.380 ppm2 1.194 CV 1 ASSI { 3790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 5.000 1.000 1.000 peak 3790 spectrum 1 weight 0.11000E+01 volume 0.49438E-03 ppm1 8.382 ppm2 3.915 CV 1 ASSI { 3800} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HD1%) 4.300 1.500 1.500 peak 3800 spectrum 1 weight 0.11000E+01 volume 0.11118E-02 ppm1 8.077 ppm2 0.730 CV 1 ASSI { 3801} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HD2%) 3.000 1.800 1.800 peak 3801 spectrum 1 weight 0.11000E+01 volume 0.22745E-02 ppm1 8.541 ppm2 0.801 CV 1 ASSI { 3802} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HD2%) 4.300 1.000 1.000 peak 3802 spectrum 1 weight 0.11000E+01 volume 0.13904E-02 ppm1 8.078 ppm2 0.799 CV 1 ASSI { 3805} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG )) 5.000 1.000 1.000 peak 3805 spectrum 1 weight 0.11000E+01 volume 0.41842E-03 ppm1 8.918 ppm2 0.884 CV 1 ASSI { 3806} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.300 1.000 1.000 peak 3806 spectrum 1 weight 0.11000E+01 volume 0.19377E-02 ppm1 7.989 ppm2 1.254 CV 1 ASSI { 3807} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 3807 spectrum 1 weight 0.11000E+01 volume 0.20388E-02 ppm1 7.991 ppm2 1.293 CV 1 ASSI { 3808} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.700 1.500 1.500 peak 3808 spectrum 1 weight 0.11000E+01 volume 0.65561E-03 ppm1 8.920 ppm2 1.252 CV 1 ASSI { 3809} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 4.400 1.500 1.500 peak 3809 spectrum 1 weight 0.11000E+01 volume 0.76015E-03 ppm1 8.919 ppm2 1.295 CV 1 ASSI { 3812} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.800 1.500 1.500 peak 3812 spectrum 1 weight 0.11000E+01 volume 0.13632E-02 ppm1 8.356 ppm2 1.717 CV 1 ASSI { 3814} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.800 1.500 1.500 peak 3814 spectrum 1 weight 0.11000E+01 volume 0.14333E-02 ppm1 9.046 ppm2 1.720 CV 1 ASSI { 3816} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB1 )) 2.800 1.500 1.500 peak 3816 spectrum 1 weight 0.11000E+01 volume 0.15358E-02 ppm1 8.355 ppm2 1.240 CV 1 ASSI { 3817} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB1 )) 3.800 1.500 1.500 peak 3817 spectrum 1 weight 0.11000E+01 volume 0.14363E-02 ppm1 9.045 ppm2 1.243 CV 1 ASSI { 3818} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 4.500 1.500 1.500 peak 3818 spectrum 1 weight 0.11000E+01 volume 0.74557E-03 ppm1 9.620 ppm2 1.466 CV 1 ASSI { 3820} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.800 1.500 1.500 peak 3820 spectrum 1 weight 0.11000E+01 volume 0.14918E-02 ppm1 8.778 ppm2 1.459 CV 1 ASSI { 3821} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG )) 4.500 1.500 1.500 peak 3821 spectrum 1 weight 0.11000E+01 volume 0.19491E-02 ppm1 8.785 ppm2 1.639 CV 1 ASSI { 3822} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 1.500 1.500 peak 3822 spectrum 1 weight 0.11000E+01 volume 0.27809E-02 ppm1 8.457 ppm2 1.611 CV 1 ASSI { 3823} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 1.500 1.500 peak 3823 spectrum 1 weight 0.11000E+01 volume 0.31242E-02 ppm1 8.119 ppm2 1.610 CV 1 ASSI { 3824} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD1%) 2.800 1.500 1.500 peak 3824 spectrum 1 weight 0.11000E+01 volume 0.34240E-02 ppm1 8.457 ppm2 0.777 CV 1 ASSI { 3825} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HD1%) 4.800 1.500 1.000 peak 3825 spectrum 1 weight 0.11000E+01 volume 0.31944E-02 ppm1 8.120 ppm2 0.772 CV 1 ASSI { 3826} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 3.000 1.000 1.000 peak 3826 spectrum 1 weight 0.11000E+01 volume 0.13673E-02 ppm1 8.444 ppm2 4.540 CV 1 ASSI { 3831} (( segid " " and resid 115 and name HN )) (( segid " " and resid 128 and name HA )) 5.000 1.000 1.000 peak 3831 spectrum 1 weight 0.11000E+01 volume 0.34839E-03 ppm1 8.455 ppm2 5.464 CV 1 ASSI { 3833} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 3833 spectrum 1 weight 0.11000E+01 volume 0.25992E-02 ppm1 9.152 ppm2 4.257 CV 1 ASSI { 3835} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG )) 3.500 1.000 1.000 peak 3835 spectrum 1 weight 0.11000E+01 volume 0.97790E-03 ppm1 9.033 ppm2 1.724 CV 1 ASSI { 3837} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HG )) 5.000 1.000 1.000 peak 3837 spectrum 1 weight 0.11000E+01 volume 0.37750E-03 ppm1 8.275 ppm2 1.722 CV 1 ASSI { 3838} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB1 )) 2.800 1.500 1.500 peak 3838 spectrum 1 weight 0.11000E+01 volume 0.13117E-02 ppm1 9.028 ppm2 0.964 CV 1 ASSI { 3839} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB1 )) 3.700 1.500 1.500 peak 3839 spectrum 1 weight 0.11000E+01 volume 0.63397E-03 ppm1 8.282 ppm2 0.966 CV 1 ASSI { 3843} (( segid " " and resid 126 and name HN )) (( segid " " and resid 98 and name HN )) 5.000 1.000 1.000 peak 3843 spectrum 1 weight 0.11000E+01 volume 0.27327E-03 ppm1 9.032 ppm2 9.134 CV 1 ASSI { 3845} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.100 1.000 1.000 peak 3845 spectrum 1 weight 0.11000E+01 volume 0.24969E-02 ppm1 8.738 ppm2 1.913 CV 1 ASSI { 3846} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB2 )) 5.000 1.000 1.000 peak 3846 spectrum 1 weight 0.11000E+01 volume 0.34355E-03 ppm1 9.149 ppm2 1.936 CV 1 ASSI { 3847} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.900 1.000 1.000 peak 3847 spectrum 1 weight 0.11000E+01 volume 0.26095E-02 ppm1 9.151 ppm2 4.225 CV 1 ASSI { 3848} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB1 )) 4.500 1.000 1.500 peak 3848 spectrum 1 weight 0.11000E+01 volume 0.59978E-03 ppm1 9.054 ppm2 1.653 CV 1 ASSI { 3853} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 4.600 1.000 1.000 peak 3853 spectrum 1 weight 0.11000E+01 volume 0.17846E-02 ppm1 9.472 ppm2 0.571 CV 1 ASSI { 3854} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 2.900 1.000 1.600 peak 3854 spectrum 1 weight 0.11000E+01 volume 0.17456E-02 ppm1 8.889 ppm2 0.578 CV 1 ASSI { 3857} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 4.000 1.500 1.500 peak 3857 spectrum 1 weight 0.11000E+01 volume 0.98606E-03 ppm1 9.523 ppm2 8.861 CV 1 ASSI { 3858} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 5.000 1.000 1.000 peak 3858 spectrum 1 weight 0.11000E+01 volume 0.38580E-03 ppm1 8.898 ppm2 9.471 CV 1 ASSI { 3859} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 4.000 1.000 1.500 peak 3859 spectrum 1 weight 0.11000E+01 volume 0.13035E-02 ppm1 7.933 ppm2 3.812 CV 1 ASSI { 3860} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 5.000 1.000 1.000 peak 3860 spectrum 1 weight 0.11000E+01 volume 0.36682E-03 ppm1 7.928 ppm2 4.174 CV 1 ASSI { 3862} (( segid " " and resid 138 and name HN )) ( segid " " and resid 15 and name HD% ) 4.100 1.000 1.000 peak 3862 spectrum 1 weight 0.11000E+01 volume 0.41424E-03 ppm1 6.630 ppm2 5.922 CV 1 ASSI { 3863} (( segid " " and resid 15 and name HN )) ( segid " " and resid 12 and name HB% ) 4.500 1.000 1.000 peak 3863 spectrum 1 weight 0.11000E+01 volume 0.52584E-03 ppm1 7.688 ppm2 1.488 CV 1 ASSI { 3870} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HN )) 5.000 1.500 1.000 peak 3870 spectrum 1 weight 0.11000E+01 volume 0.85528E-03 ppm1 7.211 ppm2 8.789 CV 1 ASSI { 3871} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG2 )) 5.000 0.800 0.800 peak 3871 spectrum 1 weight 0.11000E+01 volume 0.45210E-03 ppm1 9.773 ppm2 2.084 CV 1 ASSI { 3872} (( segid " " and resid 52 and name HN )) (( segid " " and resid 45 and name HB1 )) 3.200 1.000 1.300 peak 3872 spectrum 1 weight 0.11000E+01 volume 0.45323E-03 ppm1 9.752 ppm2 1.401 CV 1 ASSI { 3877} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.000 1.000 1.000 peak 3877 spectrum 1 weight 0.11000E+01 volume 0.40988E-03 ppm1 8.531 ppm2 4.768 CV 1 ASSI { 3878} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 5.000 1.100 1.000 peak 3878 spectrum 1 weight 0.11000E+01 volume 0.20889E-03 ppm1 7.055 ppm2 4.305 CV 1 ASSI { 3879} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HA )) 5.500 1.000 0.500 peak 3879 spectrum 1 weight 0.11000E+01 volume 0.23062E-03 ppm1 7.057 ppm2 4.742 CV 1 ASSI { 3881} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HN )) 4.100 1.000 1.000 peak 3881 spectrum 1 weight 0.11000E+01 volume 0.32095E-03 ppm1 7.051 ppm2 7.353 CV 1 ASSI { 3883} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HB1 )) 4.100 1.000 1.400 peak 3883 spectrum 1 weight 0.11000E+01 volume 0.31904E-03 ppm1 8.284 ppm2 2.794 CV 1 ASSI { 3884} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD% ) 4.500 1.000 1.000 peak 3884 spectrum 1 weight 0.11000E+01 volume 0.37427E-03 ppm1 9.176 ppm2 6.768 CV 1 ASSI { 3886} (( segid " " and resid 128 and name HN )) (( segid " " and resid 99 and name HA )) 5.500 1.000 0.500 peak 3886 spectrum 1 weight 0.11000E+01 volume 0.27020E-03 ppm1 9.517 ppm2 4.429 CV 1 ASSI { 3889} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HB1 )) 5.500 1.000 0.500 peak 3889 spectrum 1 weight 0.11000E+01 volume 0.37523E-03 ppm1 7.516 ppm2 1.358 CV 1 ASSI { 3891} (( segid " " and resid 136 and name HN )) (( segid " " and resid 133 and name HA )) 5.000 1.500 1.000 peak 3891 spectrum 1 weight 0.11000E+01 volume 0.13906E-02 ppm1 7.511 ppm2 4.349 CV 1 ASSI { 3898} (( segid " " and resid 88 and name HN )) (( segid " " and resid 94 and name HG )) 5.000 1.000 1.000 peak 3898 spectrum 1 weight 0.11000E+01 volume 0.47930E-03 ppm1 8.207 ppm2 1.301 CV 1 ASSI { 3899} (( segid " " and resid 88 and name HN )) (( segid " " and resid 92 and name HA )) 3.500 1.000 1.000 peak 3899 spectrum 1 weight 0.11000E+01 volume 0.96211E-03 ppm1 8.202 ppm2 4.221 CV 1 ASSI { 3902} (( segid " " and resid 20 and name HN )) ( segid " " and resid 134 and name HD1%) 5.000 1.000 1.000 peak 3902 spectrum 1 weight 0.11000E+01 volume 0.30500E-03 ppm1 8.910 ppm2 0.695 CV 1 ASSI { 3904} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB1 )) 4.400 1.000 1.000 peak 3904 spectrum 1 weight 0.11000E+01 volume 0.64036E-03 ppm1 8.908 ppm2 3.760 CV 1 ASSI { 3905} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) 5.000 1.000 1.000 peak 3905 spectrum 1 weight 0.11000E+01 volume 0.15447E-03 ppm1 8.914 ppm2 4.130 CV 1 ASSI { 3911} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HG1 )) 4.700 1.500 1.000 peak 3911 spectrum 1 weight 0.11000E+01 volume 0.51443E-03 ppm1 8.291 ppm2 4.716 CV 1 ASSI { 3913} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG1 )) 2.800 1.000 1.000 peak 3913 spectrum 1 weight 0.11000E+01 volume 0.36376E-03 ppm1 6.937 ppm2 4.732 CV 1 ASSI { 3915} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG )) 4.400 1.500 1.000 peak 3915 spectrum 1 weight 0.11000E+01 volume 0.11180E-02 ppm1 8.780 ppm2 4.718 CV 1 ASSI { 3916} (( segid " " and resid 133 and name HN )) (( segid " " and resid 112 and name HG )) 3.300 1.000 1.100 peak 3916 spectrum 1 weight 0.11000E+01 volume 0.47123E-03 ppm1 9.118 ppm2 4.725 CV 1 ASSI { 3917} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) 5.000 1.000 1.000 peak 3917 spectrum 1 weight 0.11000E+01 volume 0.36870E-03 ppm1 8.993 ppm2 4.741 CV 1 ASSI { 3920} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG )) 4.200 1.100 1.000 peak 3920 spectrum 1 weight 0.11000E+01 volume 0.13953E-02 ppm1 9.211 ppm2 4.719 CV 1 ASSI { 3923} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG1 )) 4.100 1.000 1.500 peak 3923 spectrum 1 weight 0.11000E+01 volume 0.25745E-03 ppm1 7.676 ppm2 4.723 CV 1 ASSI { 3926} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) 3.900 1.000 1.500 peak 3926 spectrum 1 weight 0.11000E+01 volume 0.64523E-03 ppm1 9.217 ppm2 4.722 CV 1 ASSI { 3931} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HG1 )) 4.000 1.000 1.000 peak 3931 spectrum 1 weight 0.11000E+01 volume 0.67835E-03 ppm1 7.380 ppm2 4.737 CV 1 ASSI { 3935} (( segid " " and resid 85 and name HN )) (( segid " " and resid 95 and name HA )) 5.000 1.000 1.000 peak 3935 spectrum 1 weight 0.11000E+01 volume 0.47452E-03 ppm1 8.400 ppm2 4.820 CV 1 ASSI { 3936} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HN )) 5.000 1.000 1.000 peak 3936 spectrum 1 weight 0.11000E+01 volume 0.23619E-03 ppm1 8.779 ppm2 7.991 CV 1 ASSI { 3938} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HD2%) 5.500 1.000 0.500 peak 3938 spectrum 1 weight 0.11000E+01 volume 0.28714E-03 ppm1 8.777 ppm2 0.588 CV 1 ASSI { 3940} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HD1%) 5.500 1.000 0.500 peak 3940 spectrum 1 weight 0.11000E+01 volume 0.29127E-03 ppm1 8.779 ppm2 -0.090 CV 1 ASSI { 3942} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HG )) 5.000 1.000 1.000 peak 3942 spectrum 1 weight 0.11000E+01 volume 0.28582E-03 ppm1 8.779 ppm2 0.875 CV 1 ASSI { 3946} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HA )) 5.000 1.000 1.000 peak 3946 spectrum 1 weight 0.11000E+01 volume 0.10452E-02 ppm1 8.121 ppm2 4.825 CV 1 ASSI { 3948} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG11)) 5.000 1.000 1.000 peak 3948 spectrum 1 weight 0.11000E+01 volume 0.34090E-03 ppm1 7.904 ppm2 0.390 CV 1 ASSI { 3949} (( segid " " and resid 101 and name HN )) (( segid " " and resid 128 and name HB1 )) 5.500 1.000 0.500 peak 3949 spectrum 1 weight 0.11000E+01 volume 0.35477E-03 ppm1 7.902 ppm2 2.632 CV 1 ASSI { 3959} (( segid " " and resid 3 and name HE21)) (( segid " " and resid 3 and name HB1 )) 5.500 1.000 0.500 peak 3959 spectrum 1 weight 0.11000E+01 volume 0.35158E-03 ppm1 6.867 ppm2 2.104 CV 1 ASSI { 3970} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG1 )) 4.000 1.500 1.700 peak 3970 spectrum 1 weight 0.11000E+01 volume 0.72938E-03 ppm1 8.432 ppm2 2.317 CV 1 ASSI { 3974} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 4.400 1.000 1.000 peak 3974 spectrum 1 weight 0.11000E+01 volume 0.27846E-03 ppm1 8.050 ppm2 4.846 CV 1 ASSI { 3975} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HG2 )) 5.000 1.000 1.000 peak 3975 spectrum 1 weight 0.11000E+01 volume 0.29386E-03 ppm1 8.683 ppm2 1.646 CV 1 ASSI { 3984} (( segid " " and resid 64 and name HN )) (( segid " " and resid 96 and name HB2 )) 5.000 1.000 1.000 peak 3984 spectrum 1 weight 0.11000E+01 volume 0.50603E-03 ppm1 8.806 ppm2 3.220 CV 1 ASSI { 3986} (( segid " " and resid 64 and name HN )) (( segid " " and resid 57 and name HN )) 5.000 1.000 1.000 peak 3986 spectrum 1 weight 0.11000E+01 volume 0.38744E-03 ppm1 8.797 ppm2 8.535 CV 1 ASSI { 3988} (( segid " " and resid 86 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.700 1.500 1.500 peak 3988 spectrum 1 weight 0.11000E+01 volume 0.10951E-02 ppm1 8.136 ppm2 1.849 CV 1 ASSI { 3990} (( segid " " and resid 86 and name HN )) (( segid " " and resid 96 and name HB1 )) 2.900 1.000 1.000 peak 3990 spectrum 1 weight 0.11000E+01 volume 0.69197E-03 ppm1 8.133 ppm2 2.793 CV 1 ASSI { 3993} (( segid " " and resid 109 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.500 1.000 1.000 peak 3993 spectrum 1 weight 0.11000E+01 volume 0.43830E-03 ppm1 8.254 ppm2 3.902 CV 1 ASSI { 3995} (( segid " " and resid 109 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.000 1.000 1.000 peak 3995 spectrum 1 weight 0.11000E+01 volume 0.13111E-02 ppm1 8.255 ppm2 4.026 CV 1 ASSI { 3996} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HN )) 4.900 1.000 1.000 peak 3996 spectrum 1 weight 0.11000E+01 volume 0.97529E-03 ppm1 8.252 ppm2 8.143 CV 1 ASSI { 3997} (( segid " " and resid 108 and name HN )) (( segid " " and resid 133 and name HA )) 3.900 1.400 1.500 peak 3997 spectrum 1 weight 0.11000E+01 volume 0.44749E-02 ppm1 7.504 ppm2 4.353 CV 1 ASSI { 3998} (( segid " " and resid 113 and name HE22)) (( segid " " and resid 113 and name HA )) 4.900 1.000 1.100 peak 3998 spectrum 1 weight 0.11000E+01 volume 0.42690E-03 ppm1 7.412 ppm2 4.217 CV 1 ASSI { 3999} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.200 1.000 1.000 peak 3999 spectrum 1 weight 0.11000E+01 volume 0.29412E-02 ppm1 8.302 ppm2 2.376 CV 1 ASSI { 4000} (( segid " " and resid 113 and name HE22)) (( segid " " and resid 113 and name HG2 )) 3.100 1.000 1.000 peak 4000 spectrum 1 weight 0.11000E+01 volume 0.26070E-02 ppm1 7.415 ppm2 2.376 CV 1 ASSI { 4001} (( segid " " and resid 113 and name HE21)) (( segid " " and resid 113 and name HG2 )) 3.300 1.000 1.000 peak 4001 spectrum 1 weight 0.11000E+01 volume 0.14971E-02 ppm1 6.809 ppm2 2.380 CV 1 ASSI { 4008} (( segid " " and resid 113 and name HN )) ( segid " " and resid 108 and name HB% ) 3.200 1.000 1.000 peak 4008 spectrum 1 weight 0.11000E+01 volume 0.44122E-03 ppm1 8.305 ppm2 1.500 CV 1 ASSI { 4011} (( segid " " and resid 118 and name HN )) ( segid " " and resid 119 and name HG1%) 4.500 1.500 1.500 peak 4011 spectrum 1 weight 0.11000E+01 volume 0.61731E-03 ppm1 7.694 ppm2 0.728 CV 1 ASSI { 4012} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HG )) 4.200 1.500 1.500 peak 4012 spectrum 1 weight 0.11000E+01 volume 0.11737E-02 ppm1 7.687 ppm2 0.906 CV 1 ASSI { 4013} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HA )) 4.200 1.500 1.500 peak 4013 spectrum 1 weight 0.11000E+01 volume 0.98801E-03 ppm1 7.692 ppm2 4.261 CV 1 ASSI { 4014} (( segid " " and resid 118 and name HN )) ( segid " " and resid 127 and name HD% ) 4.700 1.500 1.000 peak 4014 spectrum 1 weight 0.11000E+01 volume 0.40310E-03 ppm1 7.694 ppm2 7.018 CV 1 ASSI { 4015} (( segid " " and resid 108 and name HN )) (( segid " " and resid 132 and name HA )) 5.000 1.000 1.000 peak 4015 spectrum 1 weight 0.11000E+01 volume 0.35501E-03 ppm1 7.505 ppm2 5.092 CV 1 ASSI { 4017} (( segid " " and resid 8 and name HN )) (( segid " " and resid 18 and name HA )) 4.300 1.000 1.500 peak 4017 spectrum 1 weight 0.11000E+01 volume 0.33750E-03 ppm1 8.691 ppm2 4.883 CV 1 ASSI { 4020} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.800 1.000 1.000 peak 4020 spectrum 1 weight 0.11000E+01 volume 0.18276E-02 ppm1 9.168 ppm2 4.817 CV 1 ASSI { 4021} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.800 1.000 1.000 peak 4021 spectrum 1 weight 0.11000E+01 volume 0.17133E-02 ppm1 9.166 ppm2 4.807 CV 1 ASSI { 4022} (( segid " " and resid 96 and name HN )) (( segid " " and resid 88 and name HA )) 4.400 1.000 1.500 peak 4022 spectrum 1 weight 0.11000E+01 volume 0.13186E-02 ppm1 9.170 ppm2 4.847 CV 1 ASSI { 4023} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG1 )) 4.500 1.500 1.500 peak 4023 spectrum 1 weight 0.11000E+01 volume 0.41912E-03 ppm1 6.918 ppm2 1.321 CV 1 ASSI { 4024} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG2 )) 4.500 1.500 1.500 peak 4024 spectrum 1 weight 0.11000E+01 volume 0.50177E-03 ppm1 6.921 ppm2 1.394 CV 1 ASSI { 4026} (( segid " " and resid 132 and name HN )) (( segid " " and resid 105 and name HA )) 5.500 1.500 0.500 peak 4026 spectrum 1 weight 0.11000E+01 volume 0.30026E-03 ppm1 9.046 ppm2 4.439 CV 1 ASSI { 4032} (( segid " " and resid 130 and name HE1 )) (( segid " " and resid 130 and name HE3 )) 5.300 1.000 0.700 peak 4032 spectrum 1 weight 0.11000E+01 volume 0.18468E-02 ppm1 9.449 ppm2 6.904 CV 1 ASSI { 4035} (( segid " " and resid 28 and name HN )) ( segid " " and resid 46 and name HG1%) 5.200 1.000 1.000 peak 4035 spectrum 1 weight 0.11000E+01 volume 0.14377E-02 ppm1 9.232 ppm2 0.648 CV 1 ASSI { 4037} (( segid " " and resid 88 and name HN )) (( segid " " and resid 92 and name HB2 )) 5.000 1.000 1.000 peak 4037 spectrum 1 weight 0.11000E+01 volume 0.85734E-03 ppm1 8.200 ppm2 1.506 CV 1 ASSI { 4041} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HG )) 5.500 1.500 0.500 peak 4041 spectrum 1 weight 0.11000E+01 volume 0.64196E-03 ppm1 7.511 ppm2 4.718 CV 1 ASSI { 4045} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) 5.000 1.000 1.000 peak 4045 spectrum 1 weight 0.11000E+01 volume 0.25804E-03 ppm1 6.517 ppm2 8.832 CV 1 ASSI { 4048} (( segid " " and resid 55 and name HN )) ( segid " " and resid 46 and name HG1%) 5.000 1.000 1.000 peak 4048 spectrum 1 weight 0.11000E+01 volume 0.79295E-03 ppm1 7.166 ppm2 0.650 CV 1 ASSI { 4049} (( segid " " and resid 129 and name HN )) (( segid " " and resid 116 and name HA )) 3.200 1.000 1.000 peak 4049 spectrum 1 weight 0.11000E+01 volume 0.77641E-03 ppm1 9.172 ppm2 4.279 CV 1 ASSI { 4052} (( segid " " and resid 6 and name HN )) (( segid " " and resid 69 and name HG2 )) 4.600 1.000 1.400 peak 4052 spectrum 1 weight 0.11000E+01 volume 0.39742E-03 ppm1 9.313 ppm2 2.426 CV 1 ASSI { 4053} (( segid " " and resid 6 and name HN )) (( segid " " and resid 71 and name HB1 )) 5.300 1.500 0.700 peak 4053 spectrum 1 weight 0.11000E+01 volume 0.33901E-03 ppm1 9.311 ppm2 0.963 CV 1 ASSI { 4060} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG1%) 2.800 1.000 1.500 peak 4060 spectrum 1 weight 0.11000E+01 volume 0.22802E-03 ppm1 8.266 ppm2 0.885 CV 1 ASSI { 4063} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 4063 spectrum 1 weight 0.11000E+01 volume 0.27837E-02 ppm1 8.667 ppm2 4.665 CV 1 ASSI { 4064} (( segid " " and resid 132 and name HN )) (( segid " " and resid 103 and name HN )) 2.800 1.000 1.000 peak 4064 spectrum 1 weight 0.11000E+01 volume 0.77785E-03 ppm1 9.055 ppm2 8.326 CV 1 ASSI { 4066} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HN )) 4.300 1.000 1.000 peak 4066 spectrum 1 weight 0.11000E+01 volume 0.13884E-02 ppm1 9.050 ppm2 6.920 CV 1 ASSI { 4070} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.500 1.000 1.000 peak 4070 spectrum 1 weight 0.11000E+01 volume 0.14779E-02 ppm1 8.690 ppm2 2.100 CV 1 ASSI { 4071} (( segid " " and resid 7 and name HE21)) (( segid " " and resid 7 and name HB2 )) 3.200 1.400 1.300 peak 4071 spectrum 1 weight 0.11000E+01 volume 0.10645E-02 ppm1 6.590 ppm2 2.102 CV 1 ASSI { 4072} (( segid " " and resid 7 and name HE22)) (( segid " " and resid 7 and name HB2 )) 3.400 1.200 1.300 peak 4072 spectrum 1 weight 0.11000E+01 volume 0.12398E-02 ppm1 6.967 ppm2 2.099 CV 1 ASSI { 4073} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.000 1.500 1.500 peak 4073 spectrum 1 weight 0.11000E+01 volume 0.15274E-02 ppm1 7.450 ppm2 2.098 CV 1 ASSI { 4076} (( segid " " and resid 76 and name HE21)) (( segid " " and resid 76 and name HB2 )) 4.500 1.000 1.000 peak 4076 spectrum 1 weight 0.11000E+01 volume 0.43966E-03 ppm1 6.795 ppm2 2.478 CV 1 ASSI { 4077} (( segid " " and resid 76 and name HE22)) (( segid " " and resid 76 and name HB2 )) 4.100 1.300 1.300 peak 4077 spectrum 1 weight 0.11000E+01 volume 0.45517E-03 ppm1 7.533 ppm2 2.476 CV 1 ASSI { 4079} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB )) 5.500 1.000 0.500 peak 4079 spectrum 1 weight 0.11000E+01 volume 0.35231E-03 ppm1 6.287 ppm2 1.999 CV 1 ASSI { 4080} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.500 1.500 1.500 peak 4080 spectrum 1 weight 0.11000E+01 volume 0.99546E-03 ppm1 6.292 ppm2 2.467 CV 1 ASSI { 4083} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) 5.000 1.500 1.000 peak 4083 spectrum 1 weight 0.11000E+01 volume 0.15541E-02 ppm1 6.715 ppm2 4.193 CV 1 ASSI { 4085} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HD22)) 3.800 1.000 1.500 peak 4085 spectrum 1 weight 0.11000E+01 volume 0.40592E-03 ppm1 6.724 ppm2 9.561 CV 1 ASSI { 4087} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) 5.000 1.500 1.000 peak 4087 spectrum 1 weight 0.11000E+01 volume 0.40841E-03 ppm1 8.701 ppm2 3.702 CV 1 ASSI { 4088} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.000 1.000 peak 4088 spectrum 1 weight 0.11000E+01 volume 0.14921E-02 ppm1 8.704 ppm2 4.191 CV 1 ASSI { 4089} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 5.000 1.500 1.000 peak 4089 spectrum 1 weight 0.11000E+01 volume 0.13093E-02 ppm1 8.705 ppm2 4.224 CV 1 ASSI { 4098} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 5.000 1.000 1.000 peak 4098 spectrum 1 weight 0.11000E+01 volume 0.39100E-03 ppm1 9.085 ppm2 3.707 CV 1 ASSI { 4109} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG )) 4.000 1.000 1.000 peak 4109 spectrum 1 weight 0.11000E+01 volume 0.22503E-02 ppm1 7.762 ppm2 1.147 CV 1 ASSI { 4110} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) 4.000 1.000 1.000 peak 4110 spectrum 1 weight 0.11000E+01 volume 0.50078E-03 ppm1 7.761 ppm2 3.989 CV 1 ASSI { 4111} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG )) 5.000 1.000 1.000 peak 4111 spectrum 1 weight 0.11000E+01 volume 0.43067E-03 ppm1 7.534 ppm2 1.151 CV 1 ASSI { 4112} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 5.000 1.500 1.000 peak 4112 spectrum 1 weight 0.11000E+01 volume 0.80985E-03 ppm1 8.076 ppm2 4.011 CV 1 ASSI { 4113} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 0.900 0.900 peak 4113 spectrum 1 weight 0.11000E+01 volume 0.20664E-02 ppm1 8.200 ppm2 4.191 CV 1 ASSI { 4116} (( segid " " and resid 27 and name HN )) ( segid " " and resid 46 and name HG1%) 5.000 1.000 1.000 peak 4116 spectrum 1 weight 0.11000E+01 volume 0.16478E-02 ppm1 7.454 ppm2 0.649 CV 1 ASSI { 4119} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HG2%) 3.600 1.500 1.500 peak 4119 spectrum 1 weight 0.11000E+01 volume 0.14786E-02 ppm1 8.790 ppm2 0.624 CV 1 ASSI { 4123} (( segid " " and resid 91 and name HN )) (( segid " " and resid 94 and name HB1 )) 4.400 1.500 1.600 peak 4123 spectrum 1 weight 0.11000E+01 volume 0.73144E-03 ppm1 7.288 ppm2 1.540 CV 1 ASSI { 4125} (( segid " " and resid 91 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.600 1.500 1.500 peak 4125 spectrum 1 weight 0.11000E+01 volume 0.85464E-03 ppm1 7.291 ppm2 1.613 CV 1 ASSI { 4126} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HB2 )) 4.800 1.000 1.000 peak 4126 spectrum 1 weight 0.11000E+01 volume 0.59748E-03 ppm1 9.113 ppm2 1.377 CV 1 ASSI { 4129} (( segid " " and resid 41 and name HN )) ( segid " " and resid 55 and name HB% ) 4.000 1.000 1.000 peak 4129 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 9.222 ppm2 1.231 CV 1 ASSI { 4134} (( segid " " and resid 66 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.000 1.000 1.000 peak 4134 spectrum 1 weight 0.11000E+01 volume 0.37600E-02 ppm1 9.075 ppm2 2.933 CV 1 ASSI { 4135} (( segid " " and resid 95 and name HN )) (( segid " " and resid 97 and name HD1 )) 2.800 1.000 1.000 peak 4135 spectrum 1 weight 0.11000E+01 volume 0.90000E-02 ppm1 8.117 ppm2 1.530 CV 1 ASSI { 4136} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG )) 5.000 1.000 1.000 peak 4136 spectrum 1 weight 0.11000E+01 volume 0.50000E-02 ppm1 8.121 ppm2 1.286 CV 1 ASSI { 4137} (( segid " " and resid 91 and name HN )) ( segid " " and resid 94 and name HD1%) 3.800 1.100 1.100 peak 4137 spectrum 1 weight 0.11000E+01 volume 0.78958E-02 ppm1 7.289 ppm2 0.763 CV 1 ASSI { 4138} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HD1%) 4.300 1.000 1.000 peak 4138 spectrum 1 weight 0.11000E+01 volume 0.62999E-02 ppm1 7.290 ppm2 0.724 CV 1 ASSI { 4139} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HD2%) 4.900 1.500 1.100 peak 4139 spectrum 1 weight 0.11000E+01 volume 0.76992E-02 ppm1 7.286 ppm2 0.800 CV 1 ASSI { 4140} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD2%) 4.500 1.500 1.000 peak 4140 spectrum 1 weight 0.11000E+01 volume 0.17400E-02 ppm1 8.739 ppm2 0.542 CV 1 ASSI { 4144} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG )) 2.800 1.000 1.000 peak 4144 spectrum 1 weight 0.11000E+01 volume 0.17000E-02 ppm1 8.125 ppm2 4.717 CV 1 ASSI { 4145} (( segid " " and resid 88 and name HN )) (( segid " " and resid 94 and name HB2 )) 4.100 1.000 1.000 peak 4145 spectrum 1 weight 0.11000E+01 volume 0.837496-02 ppm1 8.203 ppm2 1.611 CV 1 ASSI { 4146} (( segid " " and resid 88 and name HN )) (( segid " " and resid 124 and name HB1 )) 5.800 1.000 0.200 peak 4146 spectrum 1 weight 0.11000E+01 volume 0.952796-02 ppm1 8.201 ppm2 1.579 CV 1 ASSI { 4151} (( segid " " and resid 40 and name HN )) (( segid " " and resid 28 and name HN )) 3.100 1.000 1.000 peak 4151 spectrum 1 weight 0.11000E+01 volume 0.156206-02 ppm1 8.795 ppm2 9.224 CV 1 ASSI { 4152} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HG1 )) 5.300 1.000 0.700 peak 4152 spectrum 1 weight 0.11000E+01 volume 0.108800-02 ppm1 8.066 ppm2 1.954 CV 1 ASSI { 4153} (( segid " " and resid 68 and name HD22)) (( segid " " and resid 67 and name HA )) 4.000 1.000 1.000 peak 4153 spectrum 1 weight 0.11000E+01 volume 0.734943-02 ppm1 7.237 ppm2 2.667 CV 1 ASSI { 4156} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.500 1.000 1.000 peak 4156 spectrum 1 weight 0.11000E+01 volume 0.140300-02 ppm1 8.672 ppm2 2.619 CV 1 ASSI { 4158} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.300 1.000 1.000 peak 4158 spectrum 1 weight 0.11000E+01 volume 0.715380-02 ppm1 7.232 ppm2 2.807 CV 1 ASSI { 4159} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.300 1.000 1.000 peak 4159 spectrum 1 weight 0.11000E+01 volume 0.161100-02 ppm1 8.379 ppm2 2.805 CV 1 ASSI { 4160} (( segid " " and resid 127 and name HN )) ( segid " " and resid 119 and name HG1*) 4.300 1.000 1.000 peak 4160 spectrum 1 weight 0.11000E+01 volume 0.929327-02 ppm1 8.280 ppm2 0.726 CV 1 ASSI { 4161} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG1 )) 4.600 1.000 1.000 peak 4161 spectrum 1 weight 0.11000E+01 volume 0.124900-02 ppm1 9.765 ppm2 1.954 CV 1 ASSI { 4162} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HB1 )) 3.800 1.500 1.500 peak 4162 spectrum 1 weight 0.11000E+01 volume 0.710323-02 ppm1 7.787 ppm2 1.865 CV 1 ASSI { 4163} (( segid " " and resid 129 and name HN )) ( segid " " and resid 115 and name HD1%) 4.900 1.000 1.000 peak 4163 spectrum 1 weight 0.11000E+01 volume 0.101700-02 ppm1 9.171 ppm2 0.818 CV 1 ASSI { 4164} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HD2 )) 1.800 0.200 1.000 peak 4164 spectrum 1 weight 0.11000E+01 volume 0.124200-02 ppm1 8.625 ppm2 1.540 CV 1 ASSI { 4165} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HD1 )) 2.800 1.400 1.200 peak 4165 spectrum 1 weight 0.11000E+01 volume 0.124200-02 ppm1 8.625 ppm2 1.530 CV 1 ASSI { 4166} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HG2 )) 2.800 1.500 1.000 peak 4166 spectrum 1 weight 0.11000E+01 volume 0.622133-02 ppm1 7.785 ppm2 2.234 CV 1 ASSI { 4167} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HG1 )) 2.800 1.500 1.500 peak 4167 spectrum 1 weight 0.11000E+01 volume 0.567883-02 ppm1 7.785 ppm2 2.226 CV 1 ASSI { 4169} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HB2 )) 5.000 1.000 1.000 peak 4169 spectrum 1 weight 0.11000E+01 volume 0.101100-02 ppm1 7.505 ppm2 3.919 CV 1 ASSI { 4170} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HG1%) 4.900 1.000 1.000 peak 4170 spectrum 1 weight 0.11000E+01 volume 0.799269-02 ppm1 8.676 ppm2 0.792 CV 1 ASSI { 4171} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB1 )) 2.600 1.000 1.500 peak 4171 spectrum 1 weight 0.11000E+01 volume 0.392000-02 ppm1 8.522 ppm2 1.964 CV 1 ASSI { 4172} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB )) 4.000 1.500 1.500 peak 4172 spectrum 1 weight 0.11000E+01 volume 0.379500-02 ppm1 8.522 ppm2 1.997 CV 1 ASSI { 4173} (( segid " " and resid 7 and name HE21)) (( segid " " and resid 7 and name HG2 )) 2.800 1.000 1.000 peak 4173 spectrum 1 weight 0.11000E+01 volume 0.129500-02 ppm1 6.587 ppm2 2.073 CV 1 ASSI { 4174} (( segid " " and resid 92 and name HN )) ( segid " " and resid 94 and name HD2%) 4.400 1.500 1.500 peak 4174 spectrum 1 weight 0.11000E+01 volume 0.211300-02 ppm1 8.542 ppm2 0.812 CV 1 ASSI { 4175} (( segid " " and resid 92 and name HN )) ( segid " " and resid 94 and name HD1%) 4.400 1.500 1.500 peak 4175 spectrum 1 weight 0.11000E+01 volume 0.236300-02 ppm1 8.542 ppm2 0.771 CV 1 ASSI { 4176} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG2 )) 4.300 1.500 1.500 peak 4176 spectrum 1 weight 0.11000E+01 volume 0.664624-02 ppm1 8.433 ppm2 2.323 CV 1 ASSI { 4177} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG1 )) 4.300 1.500 1.500 peak 4177 spectrum 1 weight 0.11000E+01 volume 0.417962-02 ppm1 8.446 ppm2 2.315 CV 1 ASSI { 4178} (( segid " " and resid 84 and name HN )) (( segid " " and resid 95 and name HB1 )) 4.000 1.500 1.500 peak 4178 spectrum 1 weight 0.11000E+01 volume 0.285000-02 ppm1 9.438 ppm2 1.925 CV 1 ASSI { 4179} (( segid " " and resid 84 and name HN )) (( segid " " and resid 95 and name HB2 )) 4.000 1.500 1.500 peak 4179 spectrum 1 weight 0.11000E+01 volume 0.285000-02 ppm1 9.438 ppm2 1.930 CV 1 ASSI { 4180} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD1 )) 4.100 1.500 1.500 peak 4180 spectrum 1 weight 0.11000E+01 volume 0.299300-02 ppm1 7.535 ppm2 1.659 CV 1 ASSI { 470} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HG2%) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.11000E+01 volume 0.48186E-02 ppm1 4.141 ppm2 1.000 CV 1 ASSI { 498} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HG2 )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.11000E+01 volume 0.39995E-02 ppm1 4.371 ppm2 2.318 CV 1 ASSI { 519} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HN )) 3.900 1.000 1.000 peak 519 spectrum 1 weight 0.11000E+01 volume 0.22565E-02 ppm1 2.329 ppm2 8.521 CV 1 ASSI { 560} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB1 )) 2.800 1.000 0.700 peak 560 spectrum 1 weight 0.11000E+01 volume 0.67188E-02 ppm1 5.274 ppm2 1.843 CV 1 ASSI { 578} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HA )) 3.100 1.000 1.000 peak 578 spectrum 1 weight 0.11000E+01 volume 0.19374E-02 ppm1 2.065 ppm2 5.258 CV 1 ASSI { 586} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 586 spectrum 1 weight 0.11000E+01 volume 0.15266E-02 ppm1 1.827 ppm2 4.877 CV 1 ASSI { 597} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB )) 2.800 1.000 0.700 peak 597 spectrum 1 weight 0.11000E+01 volume 0.41161E-02 ppm1 4.543 ppm2 2.083 CV 1 ASSI { 598} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 2.800 1.000 0.600 peak 598 spectrum 1 weight 0.11000E+01 volume 0.59552E-02 ppm1 4.547 ppm2 7.845 CV 1 ASSI { 648} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 9 and name HA )) 3.700 1.000 1.000 peak 648 spectrum 1 weight 0.11000E+01 volume 0.34688E-02 ppm1 0.714 ppm2 5.403 CV 1 ASSI { 677} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 9 and name HB )) 2.800 1.000 0.600 peak 677 spectrum 1 weight 0.11000E+01 volume 0.99144E-02 ppm1 0.831 ppm2 3.706 CV 1 ASSI { 678} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 9 and name HA )) 2.800 1.000 0.800 peak 678 spectrum 1 weight 0.11000E+01 volume 0.55772E-02 ppm1 0.831 ppm2 5.404 CV 1 ASSI { 680} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.11000E+01 volume 0.29099E-02 ppm1 0.831 ppm2 8.531 CV 1 ASSI { 695} (( segid " " and resid 9 and name HB )) (( segid " " and resid 9 and name HA )) 3.000 1.000 1.000 peak 695 spectrum 1 weight 0.11000E+01 volume 0.18452E-02 ppm1 3.713 ppm2 5.410 CV 1 ASSI { 708} (( segid " " and resid 11 and name HA )) ( segid " " and resid 9 and name HG2%) 4.100 1.000 1.000 peak 708 spectrum 1 weight 0.11000E+01 volume 0.16552E-02 ppm1 4.187 ppm2 0.831 CV 1 ASSI { 709} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 4.000 1.000 1.000 peak 709 spectrum 1 weight 0.11000E+01 volume 0.33569E-02 ppm1 4.192 ppm2 2.077 CV 1 ASSI { 710} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 0.600 peak 710 spectrum 1 weight 0.11000E+01 volume 0.66923E-02 ppm1 4.190 ppm2 2.312 CV 1 ASSI { 749} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HN )) 2.800 1.000 0.800 peak 749 spectrum 1 weight 0.11000E+01 volume 0.38694E-02 ppm1 1.475 ppm2 6.714 CV 1 ASSI { 753} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HG2%) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.76233E-02 ppm1 4.473 ppm2 1.085 CV 1 ASSI { 760} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.900 1.000 1.000 peak 760 spectrum 1 weight 0.11000E+01 volume 0.21360E-02 ppm1 4.476 ppm2 6.712 CV 1 ASSI { 762} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 3.400 1.000 1.000 peak 762 spectrum 1 weight 0.11000E+01 volume 0.12755E-02 ppm1 4.476 ppm2 8.697 CV 1 ASSI { 768} (( segid " " and resid 13 and name HB )) ( segid " " and resid 13 and name HG2%) 2.800 1.000 0.800 peak 768 spectrum 1 weight 0.11000E+01 volume 0.55772E-02 ppm1 4.320 ppm2 1.085 CV 1 ASSI { 778} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 12 and name HB% ) 2.800 1.000 0.800 peak 778 spectrum 1 weight 0.11000E+01 volume 0.85276E-02 ppm1 1.088 ppm2 1.469 CV 1 ASSI { 780} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HN )) 2.800 1.000 0.800 peak 780 spectrum 1 weight 0.11000E+01 volume 0.40147E-02 ppm1 1.089 ppm2 6.713 CV 1 ASSI { 785} (( segid " " and resid 14 and name HA2 )) ( segid " " and resid 9 and name HG2%) 4.100 1.000 1.000 peak 785 spectrum 1 weight 0.11000E+01 volume 0.17785E-02 ppm1 4.091 ppm2 0.828 CV 1 ASSI { 793} (( segid " " and resid 14 and name HA1 )) (( segid " " and resid 14 and name HA2 )) 1.800 0.200 0.400 peak 793 spectrum 1 weight 0.11000E+01 volume 0.70430E-02 ppm1 3.374 ppm2 4.096 CV 1 ASSI { 803} (( segid " " and resid 15 and name HA )) ( segid " " and resid 16 and name HG2%) 3.800 1.000 1.000 peak 803 spectrum 1 weight 0.11000E+01 volume 0.16376E-02 ppm1 3.718 ppm2 0.719 CV 1 ASSI { 804} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HB )) 4.700 1.000 1.000 peak 804 spectrum 1 weight 0.11000E+01 volume 0.10689E-02 ppm1 3.711 ppm2 1.508 CV 1 ASSI { 809} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HD% ) 2.800 1.000 1.000 peak 809 spectrum 1 weight 0.11000E+01 volume 0.28829E-02 ppm1 3.717 ppm2 5.919 CV 1 ASSI { 812} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 16 and name HG2%) 4.500 1.000 1.000 peak 812 spectrum 1 weight 0.11000E+01 volume 0.15794E-02 ppm1 2.739 ppm2 0.707 CV 1 ASSI { 814} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HB1 )) 5.400 1.000 1.000 peak 814 spectrum 1 weight 0.11000E+01 volume 0.13529E-02 ppm1 2.739 ppm2 2.243 CV 1 ASSI { 818} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 818 spectrum 1 weight 0.11000E+01 volume 0.46559E-02 ppm1 2.739 ppm2 4.089 CV 1 ASSI { 842} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 16 and name HB )) 2.800 1.000 0.600 peak 842 spectrum 1 weight 0.11000E+01 volume 0.11074E-01 ppm1 0.513 ppm2 1.496 CV 1 ASSI { 843} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 7 and name HB1 )) 4.000 1.000 2.000 peak 843 spectrum 1 weight 0.11000E+01 volume 0.47863E-02 ppm1 0.513 ppm2 1.834 CV 1 ASSI { 844} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 7 and name HG1 )) 3.700 1.000 1.000 peak 844 spectrum 1 weight 0.11000E+01 volume 0.30071E-02 ppm1 0.512 ppm2 2.059 CV 1 ASSI { 845} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 18 and name HB1 )) 4.000 1.000 1.000 peak 845 spectrum 1 weight 0.11000E+01 volume 0.17362E-02 ppm1 0.513 ppm2 2.218 CV 1 ASSI { 854} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HA )) 2.800 1.000 0.700 peak 854 spectrum 1 weight 0.11000E+01 volume 0.82133E-02 ppm1 0.718 ppm2 3.941 CV 1 ASSI { 855} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 855 spectrum 1 weight 0.11000E+01 volume 0.46750E-02 ppm1 0.511 ppm2 3.942 CV 1 ASSI { 863} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 863 spectrum 1 weight 0.11000E+01 volume 0.69534E-02 ppm1 0.718 ppm2 7.026 CV 1 ASSI { 869} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 17 and name HD% ) 3.300 1.000 1.000 peak 869 spectrum 1 weight 0.11000E+01 volume 0.41821E-02 ppm1 0.726 ppm2 7.355 CV 1 ASSI { 874} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 18 and name HN )) 4.800 1.000 1.200 peak 874 spectrum 1 weight 0.11000E+01 volume 0.12438E-02 ppm1 0.719 ppm2 8.537 CV 1 ASSI { 875} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 18 and name HN )) 4.500 1.800 1.500 peak 875 spectrum 1 weight 0.11000E+01 volume 0.10183E-02 ppm1 0.507 ppm2 8.538 CV 1 ASSI { 877} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 74 and name HN )) 3.000 1.000 1.000 peak 877 spectrum 1 weight 0.11000E+01 volume 0.80192E-02 ppm1 0.709 ppm2 8.670 CV 1 ASSI { 879} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HN )) 3.400 1.000 1.000 peak 879 spectrum 1 weight 0.11000E+01 volume 0.39936E-02 ppm1 0.719 ppm2 9.061 CV 1 ASSI { 889} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HD% ) 3.600 1.000 1.000 peak 889 spectrum 1 weight 0.11000E+01 volume 0.16741E-02 ppm1 4.557 ppm2 7.350 CV 1 ASSI { 890} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.52800E-02 ppm1 4.560 ppm2 8.524 CV 1 ASSI { 904} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 17 and name HD% ) 2.900 1.100 1.100 peak 904 spectrum 1 weight 0.11000E+01 volume 0.14375E-02 ppm1 2.670 ppm2 7.360 CV 1 ASSI { 944} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HB1 )) 1.800 0.200 0.500 peak 944 spectrum 1 weight 0.11000E+01 volume 0.51601E-02 ppm1 2.905 ppm2 2.215 CV 1 ASSI { 948} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 948 spectrum 1 weight 0.11000E+01 volume 0.17974E-02 ppm1 2.913 ppm2 4.894 CV 1 ASSI { 950} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 950 spectrum 1 weight 0.11000E+01 volume 0.89928E-03 ppm1 2.236 ppm2 4.878 CV 1 ASSI { 958} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HD2%) 3.800 1.000 1.000 peak 958 spectrum 1 weight 0.11000E+01 volume 0.14492E-02 ppm1 4.331 ppm2 -0.455 CV 1 ASSI { 983} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 19 and name HD2%) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.11000E+01 volume 0.11632E-01 ppm1 -0.113 ppm2 -0.459 CV 1 ASSI { 984} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 78 and name HD2%) 2.800 1.000 1.000 peak 984 spectrum 1 weight 0.11000E+01 volume 0.40864E-02 ppm1 -0.111 ppm2 0.368 CV 1 ASSI { 987} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 2.800 1.000 1.000 peak 987 spectrum 1 weight 0.11000E+01 volume 0.94827E-02 ppm1 -0.113 ppm2 0.863 CV 1 ASSI { 990} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 990 spectrum 1 weight 0.11000E+01 volume 0.69190E-02 ppm1 -0.113 ppm2 4.324 CV 1 ASSI { 998} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 78 and name HD1%) 5.000 1.000 1.000 peak 998 spectrum 1 weight 0.11000E+01 volume 0.12607E-02 ppm1 -0.455 ppm2 0.019 CV 1 ASSI { 999} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 78 and name HD2%) 3.000 1.000 1.000 peak 999 spectrum 1 weight 0.11000E+01 volume 0.28344E-02 ppm1 -0.455 ppm2 0.364 CV 1 ASSI { 1003} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HG )) 2.800 1.000 1.000 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.65613E-02 ppm1 -0.454 ppm2 0.863 CV 1 ASSI { 1010} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HG1 )) 3.500 1.000 1.000 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.26113E-02 ppm1 4.003 ppm2 1.417 CV 1 ASSI { 1012} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.800 1.000 1.000 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.24466E-02 ppm1 3.998 ppm2 2.364 CV 1 ASSI { 1014} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.21880E-02 ppm1 3.993 ppm2 3.003 CV 1 ASSI { 1027} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 2.800 1.000 0.800 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.35187E-02 ppm1 2.377 ppm2 8.899 CV 1 ASSI { 1096} ( segid " " and resid 71 and name HD2%) ( segid " " and resid 19 and name HD2%) 3.500 1.000 2.500 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.38379E-02 ppm1 0.584 ppm2 -0.458 CV 1 ASSI { 1202} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD% ) 3.100 1.000 1.000 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.20964E-02 ppm1 4.550 ppm2 7.210 CV 1 ASSI { 1228} (( segid " " and resid 29 and name HB )) (( segid " " and resid 29 and name HA )) 3.000 1.000 1.000 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.11111E-02 ppm1 3.871 ppm2 5.085 CV 1 ASSI { 1230} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG12)) 3.700 1.000 1.000 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.20044E-02 ppm1 4.255 ppm2 1.252 CV 1 ASSI { 1242} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.900 1.000 1.000 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.14156E-02 ppm1 4.262 ppm2 9.516 CV 1 ASSI { 1267} ( segid " " and resid 30 and name HD1%) ( segid " " and resid 40 and name HD1%) 2.800 1.000 1.500 peak 1267 spectrum 1 weight 0.11000E+01 volume 0.62286E-02 ppm1 0.574 ppm2 -0.018 CV 1 ASSI { 1268} ( segid " " and resid 30 and name HD1%) ( segid " " and resid 40 and name HD2%) 4.500 1.500 1.000 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.15856E-02 ppm1 0.570 ppm2 0.234 CV 1 ASSI { 1271} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HG12)) 2.800 1.000 0.600 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.92797E-02 ppm1 0.572 ppm2 1.241 CV 1 ASSI { 1274} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HA )) 4.800 1.000 1.000 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.18619E-02 ppm1 0.572 ppm2 4.241 CV 1 ASSI { 1301} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.800 1.000 1.000 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.28708E-02 ppm1 4.863 ppm2 2.390 CV 1 ASSI { 1303} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.800 1.000 0.600 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.53463E-02 ppm1 4.867 ppm2 8.686 CV 1 ASSI { 1308} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.800 0.200 0.600 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.26464E-02 ppm1 2.740 ppm2 2.391 CV 1 ASSI { 1316} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) 2.800 1.000 1.000 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.62538E-02 ppm1 3.926 ppm2 0.893 CV 1 ASSI { 1317} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG11)) 3.200 1.000 1.000 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.18277E-02 ppm1 3.928 ppm2 1.253 CV 1 ASSI { 1318} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG12)) 2.800 1.000 1.000 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.19622E-02 ppm1 3.926 ppm2 1.423 CV 1 ASSI { 1322} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 3.600 1.000 1.000 peak 1322 spectrum 1 weight 0.11000E+01 volume 0.16760E-02 ppm1 3.927 ppm2 8.052 CV 1 ASSI { 1338} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 33 and name HN )) 4.600 1.000 1.000 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.17055E-02 ppm1 1.426 ppm2 8.677 CV 1 ASSI { 1355} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 1355 spectrum 1 weight 0.11000E+01 volume 0.27825E-02 ppm1 0.910 ppm2 8.047 CV 1 ASSI { 1358} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG12)) 2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.11000E+01 volume 0.97220E-02 ppm1 0.853 ppm2 1.426 CV 1 ASSI { 1361} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 3.300 1.500 1.500 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.24748E-02 ppm1 0.852 ppm2 3.917 CV 1 ASSI { 1364} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HN )) 4.800 1.000 1.000 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.66248E-03 ppm1 0.857 ppm2 8.679 CV 1 ASSI { 1388} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 3.700 1.000 1.000 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.11800E-02 ppm1 3.742 ppm2 9.446 CV 1 ASSI { 1389} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.800 1.000 1.000 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.23631E-02 ppm1 4.626 ppm2 0.617 CV 1 ASSI { 1393} (( segid " " and resid 38 and name HB )) ( segid " " and resid 38 and name HG2%) 2.800 1.000 0.800 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.38438E-02 ppm1 1.617 ppm2 0.596 CV 1 ASSI { 1400} (( segid " " and resid 39 and name HA )) ( segid " " and resid 38 and name HG2%) 5.000 1.500 1.000 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.12541E-02 ppm1 5.217 ppm2 0.641 CV 1 ASSI { 1401} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG2 )) 2.800 1.000 1.000 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.13284E-02 ppm1 5.203 ppm2 1.362 CV 1 ASSI { 1402} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 3.000 1.000 1.000 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.12878E-02 ppm1 5.208 ppm2 1.614 CV 1 ASSI { 1407} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HD2 )) 4.200 1.000 1.000 peak 1407 spectrum 1 weight 0.11000E+01 volume 0.22608E-02 ppm1 5.203 ppm2 3.039 CV 1 ASSI { 1424} (( segid " " and resid 40 and name HA )) ( segid " " and resid 46 and name HG1%) 3.300 1.000 1.000 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.15266E-02 ppm1 5.077 ppm2 0.638 CV 1 ASSI { 1425} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 3.000 1.000 1.000 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.12170E-02 ppm1 5.077 ppm2 0.886 CV 1 ASSI { 1427} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG )) 2.700 1.000 1.500 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.15746E-02 ppm1 5.070 ppm2 1.244 CV 1 ASSI { 1431} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD1%) 2.800 1.000 1.000 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.20340E-02 ppm1 1.324 ppm2 -0.020 CV 1 ASSI { 1452} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 99 and name HG1%) 2.800 1.000 1.000 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.74195E-02 ppm1 0.230 ppm2 0.622 CV 1 ASSI { 1455} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 97 and name HE1 )) 2.800 2.100 3.900 peak 1455 spectrum 1 weight 0.11000E+01 volume 0.34262E-02 ppm1 0.233 ppm2 2.792 CV 1 ASSI { 1458} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HA )) 3.300 1.000 1.000 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.38097E-02 ppm1 0.240 ppm2 5.069 CV 1 ASSI { 1459} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 55 and name HA )) 4.200 1.000 1.000 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.15696E-02 ppm1 0.236 ppm2 5.475 CV 1 ASSI { 1460} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 128 and name HD% ) 5.300 1.000 0.700 peak 1460 spectrum 1 weight 0.11000E+01 volume 0.22491E-02 ppm1 0.242 ppm2 6.776 CV 1 ASSI { 1465} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 41 and name HN )) 4.300 1.500 1.500 peak 1465 spectrum 1 weight 0.11000E+01 volume 0.36224E-02 ppm1 0.239 ppm2 9.216 CV 1 ASSI { 1482} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 40 and name HB1 )) 5.000 1.000 1.000 peak 1482 spectrum 1 weight 0.11000E+01 volume 0.13639E-02 ppm1 3.564 ppm2 0.896 CV 1 ASSI { 1483} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HA2 )) 1.800 0.200 0.500 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.29812E-02 ppm1 3.583 ppm2 4.716 CV 1 ASSI { 1495} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 2.800 1.000 1.000 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.24581E-02 ppm1 3.850 ppm2 7.967 CV 1 ASSI { 1496} (( segid " " and resid 42 and name HA )) (( segid " " and resid 82 and name HH )) 2.800 1.000 1.500 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.26130E-02 ppm1 3.850 ppm2 9.645 CV 1 ASSI { 1506} (( segid " " and resid 44 and name HA1 )) (( segid " " and resid 44 and name HA2 )) 1.800 0.200 0.500 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.47537E-02 ppm1 1.947 ppm2 2.914 CV 1 ASSI { 1509} (( segid " " and resid 45 and name HA )) ( segid " " and resid 46 and name HG2%) 4.200 2.200 1.800 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 3.474 ppm2 0.656 CV 1 ASSI { 1510} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.16824E-02 ppm1 3.471 ppm2 1.403 CV 1 ASSI { 1511} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.20013E-02 ppm1 3.469 ppm2 1.600 CV 1 ASSI { 1512} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG1 )) 2.600 1.100 1.500 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.11417E-02 ppm1 3.467 ppm2 1.720 CV 1 ASSI { 1513} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG2 )) 2.800 1.000 1.100 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.18093E-02 ppm1 3.470 ppm2 1.946 CV 1 ASSI { 1514} (( segid " " and resid 45 and name HA )) (( segid " " and resid 67 and name HD1 )) 3.500 1.000 2.500 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.17229E-02 ppm1 3.469 ppm2 6.442 CV 1 ASSI { 1516} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.50412E-02 ppm1 3.470 ppm2 8.073 CV 1 ASSI { 1525} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 46 and name HN )) 4.800 1.000 1.000 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.17637E-02 ppm1 1.958 ppm2 8.069 CV 1 ASSI { 1528} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HB2 )) 4.300 1.000 1.000 peak 1528 spectrum 1 weight 0.11000E+01 volume 0.22073E-02 ppm1 4.199 ppm2 1.696 CV 1 ASSI { 1529} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.900 1.000 1.000 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.16734E-02 ppm1 4.197 ppm2 1.555 CV 1 ASSI { 1540} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 48 and name HB1 )) 4.000 1.600 1.800 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.26459E-02 ppm1 0.659 ppm2 2.211 CV 1 ASSI { 1541} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 48 and name HB2 )) 4.100 1.500 1.500 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.15206E-02 ppm1 0.658 ppm2 2.627 CV 1 ASSI { 1553} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 3.100 1.000 1.000 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.35011E-02 ppm1 3.805 ppm2 1.313 CV 1 ASSI { 1554} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD2 )) 3.700 1.000 1.000 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.20183E-02 ppm1 3.805 ppm2 1.543 CV 1 ASSI { 1555} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 0.600 peak 1555 spectrum 1 weight 0.11000E+01 volume 0.90774E-02 ppm1 3.805 ppm2 1.689 CV 1 ASSI { 1561} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.700 1.000 1.000 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.79061E-03 ppm1 3.801 ppm2 7.209 CV 1 ASSI { 1573} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 3.900 1.000 1.000 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.21211E-02 ppm1 1.317 ppm2 3.802 CV 1 ASSI { 1584} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 2.800 1.000 0.700 peak 1584 spectrum 1 weight 0.11000E+01 volume 0.79082E-02 ppm1 4.283 ppm2 2.219 CV 1 ASSI { 1585} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.64019E-02 ppm1 4.278 ppm2 2.624 CV 1 ASSI { 1594} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 1.800 0.200 0.400 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.85614E-02 ppm1 2.217 ppm2 2.623 CV 1 ASSI { 1604} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.19758E-02 ppm1 4.633 ppm2 7.926 CV 1 ASSI { 1608} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 53 and name HG2%) 4.500 1.500 1.500 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.13244E-02 ppm1 3.030 ppm2 1.033 CV 1 ASSI { 1610} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 53 and name HG2%) 3.500 1.000 1.000 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.17692E-02 ppm1 2.918 ppm2 1.038 CV 1 ASSI { 1611} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 83 and name HB2 )) 4.500 1.000 1.000 peak 1611 spectrum 1 weight 0.11000E+01 volume 0.14779E-02 ppm1 2.927 ppm2 2.059 CV 1 ASSI { 1634} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.800 1.000 0.700 peak 1634 spectrum 1 weight 0.11000E+01 volume 0.41037E-02 ppm1 4.329 ppm2 2.224 CV 1 ASSI { 1645} (( segid " " and resid 53 and name HA )) (( segid " " and resid 67 and name HN )) 3.100 1.000 1.000 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.14722E-02 ppm1 4.274 ppm2 7.160 CV 1 ASSI { 1661} (( segid " " and resid 53 and name HB )) (( segid " " and resid 53 and name HN )) 2.900 1.000 1.000 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.10385E-02 ppm1 2.063 ppm2 8.059 CV 1 ASSI { 1681} (( segid " " and resid 54 and name HA2 )) (( segid " " and resid 54 and name HA1 )) 1.800 0.200 0.500 peak 1681 spectrum 1 weight 0.11000E+01 volume 0.26159E-02 ppm1 4.380 ppm2 3.101 CV 1 ASSI { 1694} (( segid " " and resid 55 and name HA )) (( segid " " and resid 40 and name HA )) 2.900 1.000 1.500 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.24247E-02 ppm1 5.492 ppm2 5.071 CV 1 ASSI { 1697} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.16270E-02 ppm1 5.485 ppm2 7.171 CV 1 ASSI { 1698} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 0.600 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.57869E-02 ppm1 5.493 ppm2 9.149 CV 1 ASSI { 1701} ( segid " " and resid 55 and name HB% ) (( segid " " and resid 55 and name HA )) 2.800 1.000 0.700 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.45681E-02 ppm1 1.229 ppm2 5.481 CV 1 ASSI { 1703} ( segid " " and resid 55 and name HB% ) ( segid " " and resid 82 and name HD% ) 4.000 1.000 2.000 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.26362E-02 ppm1 1.229 ppm2 6.758 CV 1 ASSI { 1708} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.41219E-02 ppm1 4.102 ppm2 2.385 CV 1 ASSI { 1714} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.26363E-02 ppm1 4.023 ppm2 8.521 CV 1 ASSI { 1715} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.28881E-02 ppm1 4.013 ppm2 9.198 CV 1 ASSI { 1728} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.38700E-02 ppm1 3.740 ppm2 9.205 CV 1 ASSI { 1731} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.800 1.000 0.800 peak 1731 spectrum 1 weight 0.11000E+01 volume 0.78594E-02 ppm1 4.285 ppm2 1.137 CV 1 ASSI { 1732} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.900 1.000 1.000 peak 1732 spectrum 1 weight 0.11000E+01 volume 0.18026E-02 ppm1 4.281 ppm2 7.350 CV 1 ASSI { 1733} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 3.200 1.000 1.000 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.11755E-02 ppm1 4.280 ppm2 7.730 CV 1 ASSI { 1737} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HN )) 3.300 1.000 1.000 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.28263E-02 ppm1 1.139 ppm2 7.356 CV 1 ASSI { 1739} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG11)) 3.600 1.000 1.000 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.14618E-02 ppm1 3.911 ppm2 1.064 CV 1 ASSI { 1746} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 131 and name HA )) 3.300 1.000 1.000 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.28452E-02 ppm1 0.948 ppm2 5.325 CV 1 ASSI { 1748} ( segid " " and resid 132 and name HG2%) ( segid " " and resid 102 and name HD% ) 2.800 1.000 1.000 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.44459E-02 ppm1 0.947 ppm2 6.565 CV 1 ASSI { 1749} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 135 and name HN )) 2.800 1.000 0.600 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.54841E-02 ppm1 0.949 ppm2 6.912 CV 1 ASSI { 1750} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 96 and name HD% ) 4.300 1.000 1.000 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.17309E-02 ppm1 0.975 ppm2 7.097 CV 1 ASSI { 1755} (( segid " " and resid 65 and name HA2 )) (( segid " " and resid 65 and name HA1 )) 1.800 0.200 0.500 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.26806E-02 ppm1 4.533 ppm2 3.112 CV 1 ASSI { 1758} (( segid " " and resid 65 and name HA2 )) (( segid " " and resid 66 and name HN )) 3.000 1.000 1.000 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.19277E-02 ppm1 4.524 ppm2 9.068 CV 1 ASSI { 1760} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 68 and name HD22)) 4.400 1.500 1.500 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.16249E-02 ppm1 1.185 ppm2 7.231 CV 1 ASSI { 1761} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 102 and name HZ )) 3.000 1.000 3.000 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.17848E-02 ppm1 1.183 ppm2 6.589 CV 1 ASSI { 1762} ( segid " " and resid 80 and name HD2%) ( segid " " and resid 102 and name HE% ) 3.500 1.000 2.500 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.14147E-02 ppm1 1.186 ppm2 6.338 CV 1 ASSI { 1766} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB1 )) 2.800 1.000 1.000 peak 1766 spectrum 1 weight 0.11000E+01 volume 0.54756E-02 ppm1 3.925 ppm2 2.802 CV 1 ASSI { 1767} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HE3 )) 4.300 1.000 1.500 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.23888E-02 ppm1 3.921 ppm2 6.596 CV 1 ASSI { 1768} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1768 spectrum 1 weight 0.11000E+01 volume 0.29326E-02 ppm1 3.923 ppm2 9.044 CV 1 ASSI { 1790} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HA )) 3.000 1.000 1.000 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.24369E-02 ppm1 0.588 ppm2 4.579 CV 1 ASSI { 1791} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 72 and name HN )) 3.700 1.000 1.000 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.20413E-02 ppm1 0.585 ppm2 8.855 CV 1 ASSI { 1794} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 68 and name HD22)) 4.800 1.000 1.000 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.22770E-02 ppm1 0.987 ppm2 7.235 CV 1 ASSI { 1795} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 69 and name HA )) 4.800 2.000 1.000 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.18206E-02 ppm1 0.986 ppm2 5.269 CV 1 ASSI { 1796} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 71 and name HA )) 3.100 1.500 1.000 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.28207E-02 ppm1 0.986 ppm2 4.583 CV 1 ASSI { 1800} (( segid " " and resid 72 and name HA )) ( segid " " and resid 8 and name HG1%) 5.000 1.500 1.000 peak 1800 spectrum 1 weight 0.11000E+01 volume 0.10122E-02 ppm1 5.007 ppm2 0.715 CV 1 ASSI { 1803} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.800 1.000 1.000 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.47763E-02 ppm1 5.019 ppm2 3.743 CV 1 ASSI { 1814} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 73 and name HD% ) 2.900 1.000 1.000 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.20809E-02 ppm1 2.584 ppm2 6.801 CV 1 ASSI { 1817} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HG1%) 2.800 1.000 1.000 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.11450E-01 ppm1 4.062 ppm2 0.700 CV 1 ASSI { 1820} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HN )) 2.800 1.000 0.800 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.45833E-02 ppm1 4.076 ppm2 8.441 CV 1 ASSI { 1826} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 75 and name HB1 )) 4.500 1.000 1.000 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.43604E-02 ppm1 0.702 ppm2 2.387 CV 1 ASSI { 1828} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 1828 spectrum 1 weight 0.11000E+01 volume 0.41266E-02 ppm1 0.699 ppm2 3.842 CV 1 ASSI { 1830} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 43 and name HA )) 4.800 1.000 1.000 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.29736E-02 ppm1 0.691 ppm2 4.353 CV 1 ASSI { 1832} ( segid " " and resid 42 and name HG1%) ( segid " " and resid 102 and name HE% ) 3.800 1.000 1.000 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.15907E-02 ppm1 0.696 ppm2 6.330 CV 1 ASSI { 1833} ( segid " " and resid 74 and name HG1%) (( segid " " and resid 77 and name HN )) 3.600 1.000 1.000 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.15335E-02 ppm1 0.696 ppm2 7.530 CV 1 ASSI { 1835} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 73 and name HN )) 3.300 1.000 1.500 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.78045E-02 ppm1 0.705 ppm2 8.912 CV 1 ASSI { 1837} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 74 and name HG1%) 4.200 1.400 1.000 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.18902E-02 ppm1 2.393 ppm2 0.697 CV 1 ASSI { 1838} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.19837E-02 ppm1 2.221 ppm2 3.358 CV 1 ASSI { 1839} (( segid " " and resid 121 and name HG2 )) (( segid " " and resid 121 and name HB1 )) 2.800 1.000 1.000 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.40673E-02 ppm1 2.236 ppm2 1.667 CV 1 ASSI { 1841} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 76 and name HA )) 3.400 1.000 1.000 peak 1841 spectrum 1 weight 0.11000E+01 volume 0.25770E-02 ppm1 2.357 ppm2 3.358 CV 1 ASSI { 1842} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HA )) 3.200 1.200 1.200 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.29191E-02 ppm1 2.219 ppm2 3.361 CV 1 ASSI { 1847} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HG1%) 2.800 1.000 1.000 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.10005E-01 ppm1 4.333 ppm2 0.790 CV 1 ASSI { 1848} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB )) 2.800 1.000 1.000 peak 1848 spectrum 1 weight 0.11000E+01 volume 0.30638E-02 ppm1 4.333 ppm2 1.996 CV 1 ASSI { 1850} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 1850 spectrum 1 weight 0.11000E+01 volume 0.56647E-02 ppm1 4.330 ppm2 8.347 CV 1 ASSI { 1859} ( segid " " and resid 81 and name HG1%) (( segid " " and resid 82 and name HN )) 2.800 1.000 1.500 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.27580E-02 ppm1 0.801 ppm2 9.495 CV 1 ASSI { 1867} ( segid " " and resid 78 and name HD2%) (( segid " " and resid 78 and name HG )) 2.800 1.000 1.000 peak 1867 spectrum 1 weight 0.11000E+01 volume 0.29410E-02 ppm1 0.372 ppm2 1.277 CV 1 ASSI { 1869} ( segid " " and resid 78 and name HD2%) ( segid " " and resid 17 and name HD% ) 3.800 1.000 1.000 peak 1869 spectrum 1 weight 0.11000E+01 volume 0.17306E-02 ppm1 0.373 ppm2 7.350 CV 1 ASSI { 1870} ( segid " " and resid 78 and name HD2%) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 1870 spectrum 1 weight 0.11000E+01 volume 0.13010E-02 ppm1 0.375 ppm2 1.708 CV 1 ASSI { 1878} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 1878 spectrum 1 weight 0.11000E+01 volume 0.37166E-02 ppm1 0.986 ppm2 4.802 CV 1 ASSI { 1883} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD% ) 2.900 1.000 1.000 peak 1883 spectrum 1 weight 0.11000E+01 volume 0.22390E-02 ppm1 5.206 ppm2 6.747 CV 1 ASSI { 1884} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 94 and name HD2%) 3.300 1.000 1.500 peak 1884 spectrum 1 weight 0.11000E+01 volume 0.18938E-02 ppm1 2.812 ppm2 0.812 CV 1 ASSI { 1885} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD% ) 3.000 1.000 1.000 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.11245E-02 ppm1 2.811 ppm2 6.754 CV 1 ASSI { 1891} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.800 1.000 0.800 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.24323E-02 ppm1 4.888 ppm2 9.431 CV 1 ASSI { 1892} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 3.000 1.000 1.000 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.15172E-02 ppm1 4.893 ppm2 8.799 CV 1 ASSI { 1894} (( segid " " and resid 7 and name HG2 )) ( segid " " and resid 16 and name HG1%) 4.700 1.500 1.000 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.22385E-02 ppm1 2.071 ppm2 0.496 CV 1 ASSI { 1895} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HB1 )) 4.700 1.000 1.000 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.18579E-02 ppm1 4.166 ppm2 1.917 CV 1 ASSI { 1897} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.000 1.000 1.000 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.21016E-02 ppm1 4.171 ppm2 2.928 CV 1 ASSI { 1900} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 66 and name HD2 )) 3.800 1.000 1.000 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.21611E-02 ppm1 2.670 ppm2 1.644 CV 1 ASSI { 1904} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.900 1.000 1.000 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.21387E-02 ppm1 2.662 ppm2 4.169 CV 1 ASSI { 1920} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB1 )) 3.200 1.000 1.000 peak 1920 spectrum 1 weight 0.11000E+01 volume 0.30036E-02 ppm1 4.049 ppm2 1.798 CV 1 ASSI { 1923} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HG2 )) 3.100 1.000 1.000 peak 1923 spectrum 1 weight 0.11000E+01 volume 0.18649E-02 ppm1 4.044 ppm2 2.114 CV 1 ASSI { 1931} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 122 and name HB2 )) 5.000 1.000 1.000 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.15700E-02 ppm1 1.351 ppm2 3.360 CV 1 ASSI { 1932} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 88 and name HB2 )) 4.100 1.000 1.000 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.17913E-02 ppm1 1.350 ppm2 3.212 CV 1 ASSI { 1934} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 90 and name HA )) 2.800 1.000 0.500 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.17110E-01 ppm1 1.347 ppm2 4.041 CV 1 ASSI { 1936} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 90 and name HN )) 2.800 1.000 0.600 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.98322E-02 ppm1 1.348 ppm2 6.843 CV 1 ASSI { 1939} (( segid " " and resid 108 and name HA )) ( segid " " and resid 108 and name HB% ) 2.800 1.000 0.600 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.94142E-02 ppm1 4.369 ppm2 1.502 CV 1 ASSI { 1942} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 2.800 1.000 1.000 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.20017E-02 ppm1 4.372 ppm2 2.478 CV 1 ASSI { 1943} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB1 )) 2.800 1.000 1.000 peak 1943 spectrum 1 weight 0.11000E+01 volume 0.31489E-02 ppm1 4.363 ppm2 2.813 CV 1 ASSI { 1946} (( segid " " and resid 91 and name HB1 )) ( segid " " and resid 94 and name HD2%) 3.400 1.000 1.000 peak 1946 spectrum 1 weight 0.11000E+01 volume 0.19891E-02 ppm1 2.473 ppm2 0.809 CV 1 ASSI { 1955} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) 2.800 1.000 1.000 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.29342E-02 ppm1 4.268 ppm2 3.359 CV 1 ASSI { 1993} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HA )) 3.000 1.000 1.000 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.85963E-02 ppm1 0.773 ppm2 4.645 CV 1 ASSI { 1994} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 95 and name HN )) 4.700 1.000 1.000 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.38785E-02 ppm1 0.774 ppm2 8.102 CV 1 ASSI { 1995} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HN )) 3.200 1.000 1.000 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.19533E-02 ppm1 0.774 ppm2 8.454 CV 1 ASSI { 2000} (( segid " " and resid 7 and name HA )) (( segid " " and resid 18 and name HA )) 3.500 1.500 1.000 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.29401E-02 ppm1 5.269 ppm2 4.892 CV 1 ASSI { 2004} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HE2 )) 4.500 1.000 1.000 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.15180E-02 ppm1 1.859 ppm2 2.791 CV 1 ASSI { 2007} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 83 and name HA )) 4.500 1.500 1.500 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.20485E-02 ppm1 1.849 ppm2 4.887 CV 1 ASSI { 2009} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HA )) 2.800 1.000 1.000 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.19485E-02 ppm1 1.862 ppm2 5.277 CV 1 ASSI { 2016} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HG1%) 2.800 1.000 1.000 peak 2016 spectrum 1 weight 0.11000E+01 volume 0.23374E-02 ppm1 4.457 ppm2 0.625 CV 1 ASSI { 2021} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HD1%) 3.100 1.000 1.000 peak 2021 spectrum 1 weight 0.11000E+01 volume 0.15793E-02 ppm1 1.535 ppm2 0.230 CV 1 ASSI { 2046} (( segid " " and resid 101 and name HA )) ( segid " " and resid 77 and name HG1%) 3.400 1.000 1.000 peak 2046 spectrum 1 weight 0.11000E+01 volume 0.18917E-02 ppm1 5.193 ppm2 0.800 CV 1 ASSI { 2048} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HN )) 2.800 1.000 0.600 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.36183E-02 ppm1 5.193 ppm2 9.658 CV 1 ASSI { 2060} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HG2%) 2.800 1.000 0.800 peak 2060 spectrum 1 weight 0.11000E+01 volume 0.32852E-02 ppm1 1.116 ppm2 0.771 CV 1 ASSI { 2061} (( segid " " and resid 103 and name HB )) (( segid " " and resid 131 and name HA )) 4.000 1.000 1.500 peak 2061 spectrum 1 weight 0.11000E+01 volume 0.21170E-02 ppm1 1.123 ppm2 5.325 CV 1 ASSI { 2081} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 2081 spectrum 1 weight 0.11000E+01 volume 0.14373E-02 ppm1 3.108 ppm2 4.332 CV 1 ASSI { 2092} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 1.800 0.200 0.400 peak 2092 spectrum 1 weight 0.11000E+01 volume 0.10169E-01 ppm1 2.909 ppm2 2.510 CV 1 ASSI { 2093} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 1.800 0.200 0.700 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.21112E-02 ppm1 2.907 ppm2 4.234 CV 1 ASSI { 2094} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 2094 spectrum 1 weight 0.11000E+01 volume 0.41434E-02 ppm1 2.907 ppm2 4.644 CV 1 ASSI { 2095} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HN )) 3.300 1.000 1.000 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 2.910 ppm2 8.227 CV 1 ASSI { 2108} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) 2.800 1.000 0.800 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.81358E-02 ppm1 4.570 ppm2 2.342 CV 1 ASSI { 2110} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD2 )) 3.000 1.000 1.000 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.22430E-02 ppm1 2.329 ppm2 3.775 CV 1 ASSI { 2125} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HG1 )) 4.200 1.000 1.000 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.12776E-02 ppm1 4.473 ppm2 2.352 CV 1 ASSI { 2129} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG1 )) 4.200 1.000 1.000 peak 2129 spectrum 1 weight 0.11000E+01 volume 0.14729E-02 ppm1 4.075 ppm2 1.078 CV 1 ASSI { 2130} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG2 )) 4.000 1.000 1.000 peak 2130 spectrum 1 weight 0.11000E+01 volume 0.20276E-02 ppm1 4.082 ppm2 1.224 CV 1 ASSI { 2131} (( segid " " and resid 114 and name HA )) (( segid " " and resid 130 and name HA )) 2.900 1.000 1.500 peak 2131 spectrum 1 weight 0.11000E+01 volume 0.24537E-02 ppm1 4.083 ppm2 4.758 CV 1 ASSI { 2151} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 28 and name HE% ) 2.800 1.000 1.000 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.34244E-02 ppm1 0.912 ppm2 7.060 CV 1 ASSI { 2157} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 109 and name HN )) 3.000 1.000 1.000 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.35598E-02 ppm1 1.505 ppm2 8.236 CV 1 ASSI { 2159} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 132 and name HA )) 2.900 1.000 1.000 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.38174E-02 ppm1 1.504 ppm2 5.086 CV 1 ASSI { 2168} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) 2.800 1.000 0.700 peak 2168 spectrum 1 weight 0.11000E+01 volume 0.46244E-02 ppm1 4.938 ppm2 8.988 CV 1 ASSI { 2169} (( segid " " and resid 121 and name HA )) ( segid " " and resid 119 and name HG1%) 3.100 1.200 1.200 peak 2169 spectrum 1 weight 0.11000E+01 volume 0.27993E-02 ppm1 3.959 ppm2 0.729 CV 1 ASSI { 2174} (( segid " " and resid 121 and name HA )) (( segid " " and resid 124 and name HA )) 3.700 1.000 1.500 peak 2174 spectrum 1 weight 0.11000E+01 volume 0.14008E-02 ppm1 3.952 ppm2 3.335 CV 1 ASSI { 2177} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HB1 )) 1.800 0.200 0.400 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.78321E-02 ppm1 3.363 ppm2 3.216 CV 1 ASSI { 2189} (( segid " " and resid 125 and name HA )) ( segid " " and resid 126 and name HD2%) 4.800 1.000 1.000 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.10331E-02 ppm1 4.916 ppm2 1.016 CV 1 ASSI { 2191} (( segid " " and resid 125 and name HA )) (( segid " " and resid 97 and name HN )) 3.400 1.000 1.100 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.11350E-02 ppm1 4.931 ppm2 8.334 CV 1 ASSI { 2197} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.11000E+01 volume 0.38042E-02 ppm1 0.231 ppm2 3.539 CV 1 ASSI { 2198} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.35413E-02 ppm1 0.232 ppm2 4.918 CV 1 ASSI { 2200} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 126 and name HN )) 3.500 1.000 1.000 peak 2200 spectrum 1 weight 0.11000E+01 volume 0.24728E-02 ppm1 0.230 ppm2 9.016 CV 1 ASSI { 2217} (( segid " " and resid 7 and name HA )) ( segid " " and resid 71 and name HD1%) 3.700 1.000 1.000 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.21744E-02 ppm1 5.260 ppm2 0.495 CV 1 ASSI { 2234} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB )) 2.800 1.000 0.700 peak 2234 spectrum 1 weight 0.11000E+01 volume 0.28571E-02 ppm1 5.091 ppm2 4.012 CV 1 ASSI { 2261} (( segid " " and resid 135 and name HA )) ( segid " " and resid 78 and name HD2%) 3.500 1.000 1.000 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.32456E-02 ppm1 4.472 ppm2 0.367 CV 1 ASSI { 2262} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HB% ) 2.800 1.000 0.800 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.46955E-02 ppm1 4.472 ppm2 1.044 CV 1 ASSI { 2265} ( segid " " and resid 135 and name HB% ) ( segid " " and resid 78 and name HD2%) 3.300 1.000 1.500 peak 2265 spectrum 1 weight 0.11000E+01 volume 0.33942E-02 ppm1 1.047 ppm2 0.370 CV 1 ASSI { 2278} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HB2 )) 3.300 1.000 1.000 peak 2278 spectrum 1 weight 0.11000E+01 volume 0.38606E-02 ppm1 0.687 ppm2 1.919 CV 1 ASSI { 2296} (( segid " " and resid 137 and name HA )) ( segid " " and resid 15 and name HE% ) 5.000 1.000 1.000 peak 2296 spectrum 1 weight 0.11000E+01 volume 0.16932E-02 ppm1 3.182 ppm2 6.352 CV 1 ASSI { 2298} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HN )) 3.000 1.000 1.000 peak 2298 spectrum 1 weight 0.11000E+01 volume 0.19531E-02 ppm1 3.175 ppm2 8.846 CV 1 ASSI { 2316} (( segid " " and resid 9 and name HA )) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.800 peak 2316 spectrum 1 weight 0.11000E+01 volume 0.28895E-02 ppm1 5.416 ppm2 3.946 CV 1 ASSI { 2321} (( segid " " and resid 9 and name HA )) ( segid " " and resid 16 and name HG2%) 3.400 1.000 1.000 peak 2321 spectrum 1 weight 0.11000E+01 volume 0.19717E-02 ppm1 5.413 ppm2 0.708 CV 1 ASSI { 2324} (( segid " " and resid 36 and name HA2 )) (( segid " " and resid 36 and name HN )) 3.200 1.000 1.000 peak 2324 spectrum 1 weight 0.11000E+01 volume 0.13670E-02 ppm1 4.303 ppm2 8.097 CV 1 ASSI { 2327} (( segid " " and resid 36 and name HA1 )) (( segid " " and resid 36 and name HN )) 3.100 1.000 1.000 peak 2327 spectrum 1 weight 0.11000E+01 volume 0.20463E-02 ppm1 3.819 ppm2 8.082 CV 1 ASSI { 2340} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) 3.200 1.000 1.000 peak 2340 spectrum 1 weight 0.11000E+01 volume 0.19281E-02 ppm1 3.219 ppm2 8.521 CV 1 ASSI { 2341} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.800 1.000 1.000 peak 2341 spectrum 1 weight 0.11000E+01 volume 0.22706E-02 ppm1 5.069 ppm2 3.051 CV 1 ASSI { 2342} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 2.800 1.000 1.000 peak 2342 spectrum 1 weight 0.11000E+01 volume 0.23808E-02 ppm1 5.071 ppm2 3.198 CV 1 ASSI { 2345} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.28433E-02 ppm1 5.067 ppm2 8.524 CV 1 ASSI { 2346} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG2%) 2.800 1.000 0.800 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.56717E-02 ppm1 4.202 ppm2 1.129 CV 1 ASSI { 2351} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB2 )) 4.500 1.000 1.000 peak 2351 spectrum 1 weight 0.11000E+01 volume 0.11305E-02 ppm1 3.490 ppm2 2.220 CV 1 ASSI { 2356} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG1 )) 3.900 1.500 1.000 peak 2356 spectrum 1 weight 0.11000E+01 volume 0.73155E-02 ppm1 4.567 ppm2 2.050 CV 1 ASSI { 2364} (( segid " " and resid 109 and name HA2 )) (( segid " " and resid 110 and name HG2 )) 4.900 1.000 1.000 peak 2364 spectrum 1 weight 0.11000E+01 volume 0.10843E-02 ppm1 4.274 ppm2 2.053 CV 1 ASSI { 2369} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) 2.800 1.000 1.000 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.32141E-02 ppm1 4.119 ppm2 2.077 CV 1 ASSI { 2371} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HG1 )) 2.800 1.000 1.000 peak 2371 spectrum 1 weight 0.11000E+01 volume 0.21927E-02 ppm1 4.207 ppm2 2.355 CV 1 ASSI { 2372} (( segid " " and resid 113 and name HA )) (( segid " " and resid 131 and name HB1 )) 5.000 1.000 1.000 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.37660E-02 ppm1 4.209 ppm2 2.798 CV 1 ASSI { 2375} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB1 )) 2.800 1.000 1.000 peak 2375 spectrum 1 weight 0.11000E+01 volume 0.38124E-02 ppm1 4.261 ppm2 3.212 CV 1 ASSI { 2376} (( segid " " and resid 53 and name HA )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.500 peak 2376 spectrum 1 weight 0.11000E+01 volume 0.15762E-02 ppm1 4.256 ppm2 4.661 CV 1 ASSI { 2378} (( segid " " and resid 30 and name HB )) (( segid " " and resid 30 and name HG12)) 2.800 1.000 0.800 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.29895E-02 ppm1 1.717 ppm2 1.245 CV 1 ASSI { 2381} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.800 0.200 0.600 peak 2381 spectrum 1 weight 0.11000E+01 volume 0.22976E-01 ppm1 2.741 ppm2 2.392 CV 1 ASSI { 2382} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 2382 spectrum 1 weight 0.11000E+01 volume 0.48585E-02 ppm1 3.362 ppm2 2.216 CV 1 ASSI { 2386} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HN )) 3.100 1.000 1.000 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.15751E-02 ppm1 2.218 ppm2 6.280 CV 1 ASSI { 2388} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 41 and name HA1 )) 3.300 1.000 1.500 peak 2388 spectrum 1 weight 0.11000E+01 volume 0.40617E-02 ppm1 0.652 ppm2 3.578 CV 1 ASSI { 2389} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 41 and name HA2 )) 3.500 1.000 1.500 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.22727E-02 ppm1 0.649 ppm2 4.716 CV 1 ASSI { 2390} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HN )) 3.400 1.000 1.000 peak 2390 spectrum 1 weight 0.11000E+01 volume 0.32550E-02 ppm1 0.655 ppm2 8.621 CV 1 ASSI { 2401} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 2401 spectrum 1 weight 0.11000E+01 volume 0.47202E-02 ppm1 2.516 ppm2 4.644 CV 1 ASSI { 2405} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD2 )) 2.800 1.000 1.000 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.17457E-02 ppm1 2.055 ppm2 3.777 CV 1 ASSI { 2406} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD1 )) 3.200 1.000 1.000 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.16929E-02 ppm1 2.056 ppm2 3.641 CV 1 ASSI { 2407} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.500 peak 2407 spectrum 1 weight 0.11000E+01 volume 0.74847E-02 ppm1 1.270 ppm2 7.839 CV 1 ASSI { 2408} (( segid " " and resid 9 and name HA )) ( segid " " and resid 16 and name HG1%) 3.700 1.000 1.000 peak 2408 spectrum 1 weight 0.11000E+01 volume 0.14995E-02 ppm1 5.412 ppm2 0.508 CV 1 ASSI { 2409} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 14 and name HA1 )) 3.300 1.000 1.000 peak 2409 spectrum 1 weight 0.11000E+01 volume 0.40356E-02 ppm1 0.830 ppm2 3.363 CV 1 ASSI { 2417} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 102 and name HD% ) 4.000 1.000 1.000 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.22797E-02 ppm1 -0.452 ppm2 6.571 CV 1 ASSI { 2418} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 102 and name HD% ) 4.700 1.000 1.000 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.15865E-02 ppm1 -0.114 ppm2 6.564 CV 1 ASSI { 2419} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 2419 spectrum 1 weight 0.11000E+01 volume 0.57760E-02 ppm1 4.539 ppm2 3.228 CV 1 ASSI { 2420} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.800 1.000 0.800 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.43619E-02 ppm1 4.538 ppm2 3.045 CV 1 ASSI { 2422} (( segid " " and resid 122 and name HA )) ( segid " " and resid 90 and name HB% ) 2.900 1.000 1.500 peak 2422 spectrum 1 weight 0.11000E+01 volume 0.52271E-02 ppm1 4.266 ppm2 1.348 CV 1 ASSI { 2423} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) 2.800 1.000 0.600 peak 2423 spectrum 1 weight 0.11000E+01 volume 0.73017E-02 ppm1 3.925 ppm2 1.865 CV 1 ASSI { 2428} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HB )) 2.800 1.000 0.500 peak 2428 spectrum 1 weight 0.11000E+01 volume 0.12557E-01 ppm1 0.910 ppm2 1.865 CV 1 ASSI { 2429} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB )) 2.800 1.000 1.000 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.46794E-02 ppm1 0.853 ppm2 1.864 CV 1 ASSI { 2431} (( segid " " and resid 33 and name HG11)) ( segid " " and resid 33 and name HD1%) 2.800 1.000 0.600 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.11365E-01 ppm1 1.250 ppm2 0.850 CV 1 ASSI { 2432} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 2.800 1.000 1.000 peak 2432 spectrum 1 weight 0.11000E+01 volume 0.66826E-02 ppm1 4.358 ppm2 1.616 CV 1 ASSI { 2433} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.800 1.000 0.700 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.63549E-02 ppm1 4.376 ppm2 8.511 CV 1 ASSI { 2434} (( segid " " and resid 42 and name HB )) ( segid " " and resid 42 and name HG2%) 2.800 1.000 2.000 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.25121E-02 ppm1 1.841 ppm2 0.916 CV 1 ASSI { 2436} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HB1 )) 4.000 1.000 1.000 peak 2436 spectrum 1 weight 0.11000E+01 volume 0.18839E-02 ppm1 1.266 ppm2 2.571 CV 1 ASSI { 2437} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HB )) 5.100 1.000 0.900 peak 2437 spectrum 1 weight 0.11000E+01 volume 0.21056E-02 ppm1 1.269 ppm2 3.718 CV 1 ASSI { 2442} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HG )) 4.000 1.000 1.000 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.18097E-02 ppm1 5.089 ppm2 6.385 CV 1 ASSI { 2447} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) 3.300 1.000 1.000 peak 2447 spectrum 1 weight 0.11000E+01 volume 0.31742E-02 ppm1 0.625 ppm2 8.886 CV 1 ASSI { 2449} ( segid " " and resid 55 and name HB% ) ( segid " " and resid 40 and name HD2%) 2.800 1.000 1.000 peak 2449 spectrum 1 weight 0.11000E+01 volume 0.59437E-02 ppm1 1.231 ppm2 0.237 CV 1 ASSI { 2450} (( segid " " and resid 56 and name HA )) (( segid " " and resid 63 and name HA )) 2.900 1.000 1.100 peak 2450 spectrum 1 weight 0.11000E+01 volume 0.14830E-02 ppm1 5.071 ppm2 4.083 CV 1 ASSI { 2455} (( segid " " and resid 78 and name HA )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 2455 spectrum 1 weight 0.11000E+01 volume 0.11171E-02 ppm1 5.410 ppm2 4.814 CV 1 ASSI { 2459} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 78 and name HD2%) 2.800 1.000 1.000 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.10145E-01 ppm1 0.019 ppm2 0.364 CV 1 ASSI { 2462} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.47222E-02 ppm1 0.018 ppm2 5.409 CV 1 ASSI { 2463} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 73 and name HD% ) 2.800 1.000 1.000 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.78401E-02 ppm1 0.019 ppm2 6.795 CV 1 ASSI { 2464} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 17 and name HD% ) 3.700 1.000 1.500 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.31096E-02 ppm1 0.018 ppm2 7.347 CV 1 ASSI { 2475} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 80 and name HD1%) 2.800 1.000 1.000 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.19766E-02 ppm1 1.375 ppm2 0.977 CV 1 ASSI { 2476} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 2476 spectrum 1 weight 0.11000E+01 volume 0.88480E-03 ppm1 1.386 ppm2 4.794 CV 1 ASSI { 2477} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 102 and name HE% ) 4.000 1.000 1.500 peak 2477 spectrum 1 weight 0.11000E+01 volume 0.11907E-02 ppm1 0.988 ppm2 6.338 CV 1 ASSI { 2478} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 102 and name HD% ) 5.000 1.500 1.000 peak 2478 spectrum 1 weight 0.11000E+01 volume 0.10338E-02 ppm1 0.983 ppm2 6.577 CV 1 ASSI { 2479} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HN )) 3.000 1.000 1.000 peak 2479 spectrum 1 weight 0.11000E+01 volume 0.11784E-02 ppm1 4.451 ppm2 9.252 CV 1 ASSI { 2482} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 127 and name HB1 )) 4.800 1.500 1.000 peak 2482 spectrum 1 weight 0.11000E+01 volume 0.31889E-02 ppm1 0.627 ppm2 2.788 CV 1 ASSI { 2483} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 125 and name HG2%) 2.800 1.000 1.000 peak 2483 spectrum 1 weight 0.11000E+01 volume 0.82627E-02 ppm1 0.626 ppm2 0.229 CV 1 ASSI { 2484} (( segid " " and resid 100 and name HG12)) ( segid " " and resid 100 and name HD1%) 2.800 1.000 0.800 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.38412E-02 ppm1 1.062 ppm2 0.237 CV 1 ASSI { 2497} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 82 and name HD% ) 3.300 1.000 1.500 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.14912E-02 ppm1 0.235 ppm2 6.763 CV 1 ASSI { 2503} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 128 and name HD% ) 4.500 1.000 1.000 peak 2503 spectrum 1 weight 0.11000E+01 volume 0.13622E-02 ppm1 0.052 ppm2 6.769 CV 1 ASSI { 2504} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 102 and name HD% ) 2.800 1.000 1.000 peak 2504 spectrum 1 weight 0.11000E+01 volume 0.39962E-02 ppm1 0.058 ppm2 6.590 CV 1 ASSI { 2505} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 102 and name HE% ) 3.300 1.000 1.000 peak 2505 spectrum 1 weight 0.11000E+01 volume 0.24271E-02 ppm1 0.056 ppm2 6.340 CV 1 ASSI { 2506} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.28829E-02 ppm1 0.057 ppm2 4.306 CV 1 ASSI { 2507} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 128 and name HB2 )) 4.000 1.500 1.000 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.20458E-02 ppm1 0.059 ppm2 2.818 CV 1 ASSI { 2508} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 128 and name HB1 )) 3.300 1.000 1.200 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.12809E-02 ppm1 0.060 ppm2 2.649 CV 1 ASSI { 2509} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HB )) 2.800 1.000 1.000 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.52268E-02 ppm1 0.056 ppm2 1.516 CV 1 ASSI { 2510} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG11)) 2.800 1.000 1.000 peak 2510 spectrum 1 weight 0.11000E+01 volume 0.42400E-02 ppm1 0.056 ppm2 0.383 CV 1 ASSI { 2511} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HN )) 3.200 1.000 1.000 peak 2511 spectrum 1 weight 0.11000E+01 volume 0.13744E-02 ppm1 0.231 ppm2 9.400 CV 1 ASSI { 2514} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 3.300 1.000 1.000 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.10198E-02 ppm1 5.193 ppm2 3.723 CV 1 ASSI { 2515} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 2515 spectrum 1 weight 0.11000E+01 volume 0.85108E-02 ppm1 4.252 ppm2 4.472 CV 1 ASSI { 2516} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 108 and name HB% ) 3.500 1.000 1.000 peak 2516 spectrum 1 weight 0.11000E+01 volume 0.31237E-02 ppm1 4.254 ppm2 1.499 CV 1 ASSI { 2519} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HN )) 3.100 1.000 1.000 peak 2519 spectrum 1 weight 0.11000E+01 volume 0.35639E-02 ppm1 4.253 ppm2 8.119 CV 1 ASSI { 2520} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 130 and name HE1 )) 2.800 1.000 1.500 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.15550E-02 ppm1 4.246 ppm2 9.451 CV 1 ASSI { 2522} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 103 and name HN )) 3.000 1.000 1.000 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.45722E-02 ppm1 0.525 ppm2 8.311 CV 1 ASSI { 2523} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 2523 spectrum 1 weight 0.11000E+01 volume 0.54268E-02 ppm1 0.528 ppm2 4.210 CV 1 ASSI { 2536} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 3.300 1.000 1.000 peak 2536 spectrum 1 weight 0.11000E+01 volume 0.13446E-02 ppm1 3.329 ppm2 1.582 CV 1 ASSI { 2541} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 126 and name HB2 )) 2.800 1.000 1.000 peak 2541 spectrum 1 weight 0.11000E+01 volume 0.31980E-02 ppm1 1.038 ppm2 1.912 CV 1 ASSI { 2542} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 126 and name HG )) 2.800 1.000 1.000 peak 2542 spectrum 1 weight 0.11000E+01 volume 0.45011E-02 ppm1 1.038 ppm2 1.729 CV 1 ASSI { 2543} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 126 and name HA )) 3.000 1.000 1.000 peak 2543 spectrum 1 weight 0.11000E+01 volume 0.20947E-02 ppm1 1.039 ppm2 4.386 CV 1 ASSI { 2549} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HN )) 3.500 1.000 1.000 peak 2549 spectrum 1 weight 0.11000E+01 volume 0.11045E-02 ppm1 0.691 ppm2 9.014 CV 1 ASSI { 2556} (( segid " " and resid 128 and name HA )) ( segid " " and resid 128 and name HD% ) 3.500 1.000 1.000 peak 2556 spectrum 1 weight 0.11000E+01 volume 0.11927E-02 ppm1 5.451 ppm2 6.776 CV 1 ASSI { 2567} ( segid " " and resid 132 and name HG2%) ( segid " " and resid 19 and name HD1%) 3.300 1.000 1.000 peak 2567 spectrum 1 weight 0.11000E+01 volume 0.20023E-02 ppm1 0.950 ppm2 -0.102 CV 1 ASSI { 2570} (( segid " " and resid 132 and name HB )) (( segid " " and resid 132 and name HG1 )) 2.800 1.000 1.000 peak 2570 spectrum 1 weight 0.11000E+01 volume 0.18356E-02 ppm1 4.018 ppm2 6.379 CV 1 ASSI { 2578} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 117 and name HN )) 5.000 1.000 1.000 peak 2578 spectrum 1 weight 0.11000E+01 volume 0.13131E-02 ppm1 0.821 ppm2 9.141 CV 1 ASSI { 2589} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 118 and name HN )) 3.500 1.000 1.000 peak 2589 spectrum 1 weight 0.11000E+01 volume 0.20157E-02 ppm1 -0.013 ppm2 7.682 CV 1 ASSI { 2590} ( segid " " and resid 116 and name HD1%) ( segid " " and resid 128 and name HE% ) 3.200 1.000 1.000 peak 2590 spectrum 1 weight 0.11000E+01 volume 0.20268E-02 ppm1 -0.010 ppm2 7.009 CV 1 ASSI { 2592} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 117 and name HB1 )) 4.200 1.000 1.000 peak 2592 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 -0.009 ppm2 1.461 CV 1 ASSI { 2599} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB1 )) 2.800 1.000 1.000 peak 2599 spectrum 1 weight 0.11000E+01 volume 0.52911E-02 ppm1 4.416 ppm2 3.724 CV 1 ASSI { 2600} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HN )) 3.000 1.000 1.000 peak 2600 spectrum 1 weight 0.11000E+01 volume 0.12919E-02 ppm1 4.931 ppm2 9.219 CV 1 ASSI { 2602} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 120 and name HA )) 3.000 1.000 1.000 peak 2602 spectrum 1 weight 0.11000E+01 volume 0.20182E-02 ppm1 2.800 ppm2 4.916 CV 1 ASSI { 2610} (( segid " " and resid 121 and name HG1 )) (( segid " " and resid 121 and name HN )) 3.000 1.000 1.000 peak 2610 spectrum 1 weight 0.11000E+01 volume 0.11545E-02 ppm1 2.116 ppm2 8.995 CV 1 ASSI { 2633} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 1.800 0.200 0.700 peak 2633 spectrum 1 weight 0.11000E+01 volume 0.13679E-02 ppm1 3.043 ppm2 2.163 CV 1 ASSI { 2643} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HN )) 2.800 1.000 0.700 peak 2643 spectrum 1 weight 0.11000E+01 volume 0.36397E-02 ppm1 0.950 ppm2 9.041 CV 1 ASSI { 2645} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HG1 )) 3.400 1.000 1.000 peak 2645 spectrum 1 weight 0.11000E+01 volume 0.29789E-02 ppm1 0.947 ppm2 6.365 CV 1 ASSI { 2660} (( segid " " and resid 137 and name HG1 )) (( segid " " and resid 137 and name HA )) 2.800 1.000 1.000 peak 2660 spectrum 1 weight 0.11000E+01 volume 0.13577E-02 ppm1 1.360 ppm2 3.172 CV 1 ASSI { 2678} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD1 )) 3.300 1.000 1.500 peak 2678 spectrum 1 weight 0.11000E+01 volume 0.13695E-02 ppm1 1.881 ppm2 3.488 CV 1 ASSI { 2695} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 40 and name HD2%) 2.800 1.000 0.800 peak 2695 spectrum 1 weight 0.11000E+01 volume 0.78036E-02 ppm1 -0.019 ppm2 0.231 CV 1 ASSI { 2699} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HA )) 3.700 1.000 1.000 peak 2699 spectrum 1 weight 0.11000E+01 volume 0.14002E-02 ppm1 2.150 ppm2 5.287 CV 1 ASSI { 2702} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 2702 spectrum 1 weight 0.11000E+01 volume 0.34065E-02 ppm1 0.976 ppm2 4.633 CV 1 ASSI { 2705} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 2705 spectrum 1 weight 0.11000E+01 volume 0.13989E-02 ppm1 3.927 ppm2 7.223 CV 1 ASSI { 2707} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB1 )) 2.800 1.000 1.000 peak 2707 spectrum 1 weight 0.11000E+01 volume 0.16096E-02 ppm1 4.500 ppm2 1.739 CV 1 ASSI { 2736} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB2 )) 2.800 1.000 0.700 peak 2736 spectrum 1 weight 0.11000E+01 volume 0.48664E-02 ppm1 4.051 ppm2 2.258 CV 1 ASSI { 2738} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 54 and name HN )) 4.200 1.000 1.000 peak 2738 spectrum 1 weight 0.11000E+01 volume 0.16715E-02 ppm1 0.587 ppm2 9.015 CV 1 ASSI { 2739} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HN )) 3.400 1.000 1.000 peak 2739 spectrum 1 weight 0.11000E+01 volume 0.21269E-02 ppm1 0.594 ppm2 8.059 CV 1 ASSI { 2740} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 67 and name HN )) 4.200 1.000 1.000 peak 2740 spectrum 1 weight 0.11000E+01 volume 0.17653E-02 ppm1 0.593 ppm2 7.160 CV 1 ASSI { 2741} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 66 and name HA )) 3.500 1.000 1.000 peak 2741 spectrum 1 weight 0.11000E+01 volume 0.16054E-02 ppm1 0.595 ppm2 4.654 CV 1 ASSI { 2742} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HA )) 2.800 1.000 0.700 peak 2742 spectrum 1 weight 0.11000E+01 volume 0.40227E-02 ppm1 0.599 ppm2 4.260 CV 1 ASSI { 2744} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HB )) 3.800 1.000 1.000 peak 2744 spectrum 1 weight 0.11000E+01 volume 0.23543E-02 ppm1 0.593 ppm2 2.040 CV 1 ASSI { 2745} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HG11)) 2.800 1.000 0.700 peak 2745 spectrum 1 weight 0.11000E+01 volume 0.43402E-02 ppm1 0.592 ppm2 1.334 CV 1 ASSI { 2746} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 53 and name HB )) 2.800 1.000 0.800 peak 2746 spectrum 1 weight 0.11000E+01 volume 0.30523E-02 ppm1 1.048 ppm2 2.035 CV 1 ASSI { 2760} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HB1 )) 1.800 1.000 0.500 peak 2760 spectrum 1 weight 0.11000E+01 volume 0.21628E-02 ppm1 3.263 ppm2 2.835 CV 1 ASSI { 2773} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 60 and name HB )) 4.000 1.000 1.000 peak 2773 spectrum 1 weight 0.11000E+01 volume 0.18392E-02 ppm1 0.636 ppm2 4.193 CV 1 ASSI { 2774} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HA )) 4.700 1.000 1.000 peak 2774 spectrum 1 weight 0.11000E+01 volume 0.17553E-02 ppm1 0.635 ppm2 3.912 CV 1 ASSI { 2778} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 62 and name HG2%) 2.800 1.000 1.000 peak 2778 spectrum 1 weight 0.11000E+01 volume 0.56010E-02 ppm1 0.635 ppm2 0.250 CV 1 ASSI { 2782} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 2782 spectrum 1 weight 0.11000E+01 volume 0.30089E-02 ppm1 0.252 ppm2 3.916 CV 1 ASSI { 2788} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 100 and name HG11)) 1.800 0.200 0.400 peak 2788 spectrum 1 weight 0.11000E+01 volume 0.29239E-02 ppm1 1.066 ppm2 0.386 CV 1 ASSI { 2789} (( segid " " and resid 100 and name HG11)) ( segid " " and resid 100 and name HD1%) 2.800 1.000 1.000 peak 2789 spectrum 1 weight 0.11000E+01 volume 0.26124E-02 ppm1 0.389 ppm2 0.233 CV 1 ASSI { 2794} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HN )) 2.900 1.000 1.000 peak 2794 spectrum 1 weight 0.11000E+01 volume 0.13002E-02 ppm1 5.986 ppm2 9.038 CV 1 ASSI { 2796} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG1 )) 2.800 1.000 1.000 peak 2796 spectrum 1 weight 0.11000E+01 volume 0.10577E-02 ppm1 5.984 ppm2 2.021 CV 1 ASSI { 2797} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 2797 spectrum 1 weight 0.11000E+01 volume 0.14096E-02 ppm1 5.988 ppm2 1.773 CV 1 ASSI { 2801} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.800 1.000 1.000 peak 2801 spectrum 1 weight 0.11000E+01 volume 0.17463E-02 ppm1 5.985 ppm2 1.642 CV 1 ASSI { 2825} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 1.800 0.200 0.400 peak 2825 spectrum 1 weight 0.11000E+01 volume 0.29475E-02 ppm1 0.937 ppm2 1.581 CV 1 ASSI { 2839} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HN )) 2.800 1.000 1.000 peak 2839 spectrum 1 weight 0.11000E+01 volume 0.30062E-02 ppm1 1.000 ppm2 8.249 CV 1 ASSI { 2847} ( segid " " and resid 71 and name HD2%) ( segid " " and resid 78 and name HD2%) 4.400 1.000 1.000 peak 2847 spectrum 1 weight 0.11000E+01 volume 0.14078E-02 ppm1 0.588 ppm2 0.362 CV 1 ASSI { 2852} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HA )) 4.400 1.000 1.000 peak 2852 spectrum 1 weight 0.11000E+01 volume 0.12558E-02 ppm1 3.211 ppm2 4.352 CV 1 ASSI { 2856} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 2856 spectrum 1 weight 0.11000E+01 volume 0.11203E-02 ppm1 4.377 ppm2 9.061 CV 1 ASSI { 2860} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 51 and name HA )) 3.500 1.000 1.300 peak 2860 spectrum 1 weight 0.11000E+01 volume 0.15076E-02 ppm1 1.618 ppm2 4.346 CV 1 ASSI { 2874} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.800 1.000 1.000 peak 2874 spectrum 1 weight 0.11000E+01 volume 0.16431E-02 ppm1 4.371 ppm2 1.953 CV 1 ASSI { 2878} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 2878 spectrum 1 weight 0.11000E+01 volume 0.22226E-02 ppm1 2.727 ppm2 1.299 CV 1 ASSI { 2880} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 29 and name HG2%) 4.000 1.000 2.000 peak 2880 spectrum 1 weight 0.11000E+01 volume 0.17334E-02 ppm1 3.737 ppm2 1.008 CV 1 ASSI { 2884} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 102 and name HE% ) 4.500 1.000 1.000 peak 2884 spectrum 1 weight 0.11000E+01 volume 0.13923E-02 ppm1 -0.069 ppm2 6.333 CV 1 ASSI { 2890} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 102 and name HE% ) 3.500 1.000 1.000 peak 2890 spectrum 1 weight 0.11000E+01 volume 0.99455E-03 ppm1 -0.454 ppm2 6.334 CV 1 ASSI { 2891} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 102 and name HZ )) 4.800 1.000 1.000 peak 2891 spectrum 1 weight 0.11000E+01 volume 0.14713E-02 ppm1 0.228 ppm2 6.594 CV 1 ASSI { 2892} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 102 and name HE% ) 4.600 1.000 1.000 peak 2892 spectrum 1 weight 0.11000E+01 volume 0.93966E-03 ppm1 0.236 ppm2 6.337 CV 1 ASSI { 2895} ( segid " " and resid 71 and name HD1%) ( segid " " and resid 19 and name HD1%) 4.800 1.000 1.200 peak 2895 spectrum 1 weight 0.11000E+01 volume 0.14914E-02 ppm1 0.490 ppm2 -0.123 CV 1 ASSI { 2901} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 102 and name HE% ) 3.800 1.000 1.000 peak 2901 spectrum 1 weight 0.11000E+01 volume 0.21492E-02 ppm1 0.914 ppm2 6.345 CV 1 ASSI { 2910} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 79 and name HE21)) 3.500 1.000 1.000 peak 2910 spectrum 1 weight 0.11000E+01 volume 0.22679E-02 ppm1 0.848 ppm2 6.601 CV 1 ASSI { 2913} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HA1 )) 4.700 1.000 1.000 peak 2913 spectrum 1 weight 0.11000E+01 volume 0.13842E-02 ppm1 1.136 ppm2 3.715 CV 1 ASSI { 2915} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 30 and name HN )) 4.300 1.000 1.000 peak 2915 spectrum 1 weight 0.11000E+01 volume 0.40761E-02 ppm1 1.008 ppm2 9.500 CV 1 ASSI { 2916} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 29 and name HB )) 2.800 1.000 0.700 peak 2916 spectrum 1 weight 0.11000E+01 volume 0.94463E-02 ppm1 1.007 ppm2 3.861 CV 1 ASSI { 2917} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 29 and name HA )) 2.800 1.000 0.800 peak 2917 spectrum 1 weight 0.11000E+01 volume 0.60894E-02 ppm1 1.007 ppm2 5.085 CV 1 ASSI { 2920} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 122 and name HB2 )) 3.900 1.000 1.000 peak 2920 spectrum 1 weight 0.11000E+01 volume 0.25643E-02 ppm1 0.975 ppm2 3.360 CV 1 ASSI { 2921} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 122 and name HB1 )) 3.200 1.000 1.500 peak 2921 spectrum 1 weight 0.11000E+01 volume 0.21052E-02 ppm1 0.976 ppm2 3.216 CV 1 ASSI { 2929} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 22 and name HD1%) 2.800 1.000 0.700 peak 2929 spectrum 1 weight 0.11000E+01 volume 0.11737E-01 ppm1 0.594 ppm2 -0.074 CV 1 ASSI { 2934} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HB1 )) 1.800 0.200 0.600 peak 2934 spectrum 1 weight 0.11000E+01 volume 0.18397E-02 ppm1 3.132 ppm2 2.791 CV 1 ASSI { 2937} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.800 1.000 1.000 peak 2937 spectrum 1 weight 0.11000E+01 volume 0.18386E-02 ppm1 5.336 ppm2 2.801 CV 1 ASSI { 2938} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 3.000 1.000 1.000 peak 2938 spectrum 1 weight 0.11000E+01 volume 0.15503E-02 ppm1 5.335 ppm2 3.121 CV 1 ASSI { 2946} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 87 and name HD2 )) 1.800 0.200 0.400 peak 2946 spectrum 1 weight 0.11000E+01 volume 0.40679E-02 ppm1 3.850 ppm2 4.498 CV 1 ASSI { 2948} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 2.800 1.000 0.700 peak 2948 spectrum 1 weight 0.11000E+01 volume 0.41258E-02 ppm1 2.673 ppm2 7.217 CV 1 ASSI { 2949} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 2949 spectrum 1 weight 0.11000E+01 volume 0.19259E-02 ppm1 2.672 ppm2 2.055 CV 1 ASSI { 2951} (( segid " " and resid 123 and name HB )) ( segid " " and resid 94 and name HD2%) 4.000 1.000 1.000 peak 2951 spectrum 1 weight 0.11000E+01 volume 0.22451E-02 ppm1 4.272 ppm2 0.826 CV 1 ASSI { 2952} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HD% ) 2.800 1.000 1.000 peak 2952 spectrum 1 weight 0.11000E+01 volume 0.98010E-03 ppm1 2.857 ppm2 7.360 CV 1 ASSI { 2957} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 102 and name HD% ) 2.800 1.000 1.000 peak 2957 spectrum 1 weight 0.11000E+01 volume 0.11305E-02 ppm1 2.788 ppm2 6.563 CV 1 ASSI { 2961} (( segid " " and resid 102 and name HB1 )) ( segid " " and resid 102 and name HD% ) 2.800 1.000 1.000 peak 2961 spectrum 1 weight 0.11000E+01 volume 0.89637E-03 ppm1 2.332 ppm2 6.567 CV 1 ASSI { 2966} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 15 and name HD% ) 2.800 1.000 1.000 peak 2966 spectrum 1 weight 0.11000E+01 volume 0.13948E-02 ppm1 2.763 ppm2 5.918 CV 1 ASSI { 2967} (( segid " " and resid 15 and name HB1 )) ( segid " " and resid 15 and name HD% ) 2.800 1.000 1.000 peak 2967 spectrum 1 weight 0.11000E+01 volume 0.12394E-02 ppm1 2.149 ppm2 5.917 CV 1 ASSI { 2970} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD% ) 2.800 1.000 1.000 peak 2970 spectrum 1 weight 0.11000E+01 volume 0.11563E-02 ppm1 2.577 ppm2 7.220 CV 1 ASSI { 2971} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 28 and name HD% ) 2.800 1.000 1.000 peak 2971 spectrum 1 weight 0.11000E+01 volume 0.16193E-02 ppm1 2.693 ppm2 7.215 CV 1 ASSI { 2973} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 73 and name HD% ) 2.800 1.000 1.000 peak 2973 spectrum 1 weight 0.11000E+01 volume 0.16562E-02 ppm1 3.063 ppm2 6.811 CV 1 ASSI { 2983} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HG2 )) 2.800 1.000 1.000 peak 2983 spectrum 1 weight 0.11000E+01 volume 0.10504E-02 ppm1 5.283 ppm2 2.429 CV 1 ASSI { 2994} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HB1 )) 1.800 0.200 1.000 peak 2994 spectrum 1 weight 0.11000E+01 volume 0.14611E-02 ppm1 2.435 ppm2 1.586 CV 1 ASSI { 2995} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HA )) 2.800 1.000 0.800 peak 2995 spectrum 1 weight 0.11000E+01 volume 0.44224E-02 ppm1 4.323 ppm2 4.460 CV 1 ASSI { 2997} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 40 and name HA )) 4.400 1.000 1.000 peak 2997 spectrum 1 weight 0.11000E+01 volume 0.99314E-03 ppm1 3.574 ppm2 5.072 CV 1 ASSI { 2998} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HB2 )) 3.300 1.000 1.000 peak 2998 spectrum 1 weight 0.11000E+01 volume 0.20654E-02 ppm1 2.632 ppm2 1.893 CV 1 ASSI { 2999} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HB1 )) 3.000 1.000 1.000 peak 2999 spectrum 1 weight 0.11000E+01 volume 0.20678E-02 ppm1 2.629 ppm2 1.631 CV 1 ASSI { 3000} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HG2 )) 2.800 1.000 1.000 peak 3000 spectrum 1 weight 0.11000E+01 volume 0.19849E-02 ppm1 2.628 ppm2 1.485 CV 1 ASSI { 3001} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HG1 )) 2.800 1.000 1.000 peak 3001 spectrum 1 weight 0.11000E+01 volume 0.16749E-02 ppm1 2.632 ppm2 1.312 CV 1 ASSI { 3011} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HN )) 3.500 1.000 1.000 peak 3011 spectrum 1 weight 0.11000E+01 volume 0.10452E-02 ppm1 2.085 ppm2 8.794 CV 1 ASSI { 3013} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HA )) 3.800 1.000 1.000 peak 3013 spectrum 1 weight 0.11000E+01 volume 0.16651E-02 ppm1 2.215 ppm2 4.874 CV 1 ASSI { 3017} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB1 )) 1.800 0.200 0.500 peak 3017 spectrum 1 weight 0.11000E+01 volume 0.11473E-01 ppm1 2.934 ppm2 2.663 CV 1 ASSI { 3019} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 123 and name HA )) 2.800 1.000 0.600 peak 3019 spectrum 1 weight 0.11000E+01 volume 0.17334E-01 ppm1 0.977 ppm2 4.255 CV 1 ASSI { 3020} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 124 and name HN )) 4.700 1.000 1.000 peak 3020 spectrum 1 weight 0.11000E+01 volume 0.94753E-03 ppm1 0.975 ppm2 7.655 CV 1 ASSI { 3029} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 120 and name HN )) 3.400 1.000 1.000 peak 3029 spectrum 1 weight 0.11000E+01 volume 0.16003E-02 ppm1 0.908 ppm2 9.220 CV 1 ASSI { 3030} ( segid " " and resid 119 and name HG1%) (( segid " " and resid 120 and name HN )) 3.000 1.000 1.000 peak 3030 spectrum 1 weight 0.11000E+01 volume 0.25986E-02 ppm1 0.731 ppm2 9.222 CV 1 ASSI { 3031} ( segid " " and resid 119 and name HG1%) (( segid " " and resid 119 and name HN )) 4.000 1.000 1.000 peak 3031 spectrum 1 weight 0.11000E+01 volume 0.20182E-02 ppm1 0.730 ppm2 8.249 CV 1 ASSI { 3032} ( segid " " and resid 119 and name HG1%) (( segid " " and resid 119 and name HA )) 2.800 1.000 1.000 peak 3032 spectrum 1 weight 0.11000E+01 volume 0.50747E-02 ppm1 0.728 ppm2 4.756 CV 1 ASSI { 3039} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HG1 )) 1.800 0.200 0.700 peak 3039 spectrum 1 weight 0.11000E+01 volume 0.13577E-02 ppm1 2.986 ppm2 2.591 CV 1 ASSI { 3044} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 72 and name HA )) 4.000 1.000 1.000 peak 3044 spectrum 1 weight 0.11000E+01 volume 0.43111E-02 ppm1 1.269 ppm2 5.006 CV 1 ASSI { 3045} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HB2 )) 4.500 1.000 1.000 peak 3045 spectrum 1 weight 0.11000E+01 volume 0.26816E-02 ppm1 1.270 ppm2 3.075 CV 1 ASSI { 3050} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 28 and name HD% ) 3.700 1.000 1.000 peak 3050 spectrum 1 weight 0.11000E+01 volume 0.16465E-02 ppm1 0.911 ppm2 7.219 CV 1 ASSI { 3055} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 3055 spectrum 1 weight 0.11000E+01 volume 0.38450E-02 ppm1 0.251 ppm2 7.052 CV 1 ASSI { 3058} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 96 and name HE% ) 3.700 1.000 2.300 peak 3058 spectrum 1 weight 0.11000E+01 volume 0.28921E-02 ppm1 1.037 ppm2 6.660 CV 1 ASSI { 3059} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 128 and name HZ )) 3.500 1.000 1.000 peak 3059 spectrum 1 weight 0.11000E+01 volume 0.26700E-02 ppm1 1.038 ppm2 6.902 CV 1 ASSI { 3060} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 96 and name HD% ) 3.500 1.000 1.000 peak 3060 spectrum 1 weight 0.11000E+01 volume 0.48142E-02 ppm1 1.037 ppm2 7.102 CV 1 ASSI { 3063} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG11)) 2.800 1.000 0.800 peak 3063 spectrum 1 weight 0.11000E+01 volume 0.47225E-02 ppm1 0.633 ppm2 1.064 CV 1 ASSI { 3070} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HN )) 3.500 1.000 1.000 peak 3070 spectrum 1 weight 0.11000E+01 volume 0.19285E-02 ppm1 0.630 ppm2 7.051 CV 1 ASSI { 3076} (( segid " " and resid 137 and name HA )) ( segid " " and resid 15 and name HD% ) 4.500 1.000 1.000 peak 3076 spectrum 1 weight 0.11000E+01 volume 0.12070E-02 ppm1 3.173 ppm2 5.925 CV 1 ASSI { 3084} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HD21)) 2.800 1.000 1.000 peak 3084 spectrum 1 weight 0.11000E+01 volume 0.10100E-02 ppm1 2.492 ppm2 6.974 CV 1 ASSI { 3090} (( segid " " and resid 89 and name HA )) ( segid " " and resid 92 and name HD1%) 3.700 1.000 1.000 peak 3090 spectrum 1 weight 0.11000E+01 volume 0.34238E-02 ppm1 4.057 ppm2 0.721 CV 1 ASSI { 3091} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 10 and name HD21)) 4.000 1.000 1.000 peak 3091 spectrum 1 weight 0.11000E+01 volume 0.20614E-02 ppm1 1.475 ppm2 7.198 CV 1 ASSI { 3095} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 91 and name HD22)) 4.400 1.500 1.500 peak 3095 spectrum 1 weight 0.11000E+01 volume 0.13358E-02 ppm1 0.822 ppm2 7.586 CV 1 ASSI { 3096} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 91 and name HD21)) 4.000 1.000 1.000 peak 3096 spectrum 1 weight 0.11000E+01 volume 0.13445E-02 ppm1 0.823 ppm2 6.958 CV 1 ASSI { 3098} ( segid " " and resid 78 and name HD2%) (( segid " " and resid 17 and name HB2 )) 4.000 1.000 1.000 peak 3098 spectrum 1 weight 0.11000E+01 volume 0.10914E-02 ppm1 0.369 ppm2 2.867 CV 1 ASSI { 3100} ( segid " " and resid 78 and name HD2%) (( segid " " and resid 17 and name HB1 )) 3.700 1.000 1.000 peak 3100 spectrum 1 weight 0.11000E+01 volume 0.12108E-02 ppm1 0.373 ppm2 2.672 CV 1 ASSI { 3101} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG )) 2.800 1.000 1.000 peak 3101 spectrum 1 weight 0.11000E+01 volume 0.82741E-02 ppm1 0.018 ppm2 1.285 CV 1 ASSI { 3102} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 17 and name HB1 )) 3.500 1.000 1.000 peak 3102 spectrum 1 weight 0.11000E+01 volume 0.14208E-02 ppm1 0.016 ppm2 2.657 CV 1 ASSI { 3103} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 17 and name HB2 )) 3.300 1.000 1.000 peak 3103 spectrum 1 weight 0.11000E+01 volume 0.18398E-02 ppm1 0.019 ppm2 2.834 CV 1 ASSI { 3105} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 135 and name HA )) 3.100 1.000 1.500 peak 3105 spectrum 1 weight 0.11000E+01 volume 0.14305E-02 ppm1 0.024 ppm2 4.473 CV 1 ASSI { 3107} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 73 and name HA )) 3.600 1.000 1.000 peak 3107 spectrum 1 weight 0.11000E+01 volume 0.18610E-02 ppm1 0.016 ppm2 4.826 CV 1 ASSI { 3112} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.200 peak 3112 spectrum 1 weight 0.11000E+01 volume 0.16589E-02 ppm1 3.933 ppm2 4.350 CV 1 ASSI { 3122} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HD1 )) 2.800 1.000 1.000 peak 3122 spectrum 1 weight 0.11000E+01 volume 0.28513E-02 ppm1 1.620 ppm2 3.116 CV 1 ASSI { 3150} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 3150 spectrum 1 weight 0.11000E+01 volume 0.20967E-02 ppm1 4.207 ppm2 1.988 CV 1 ASSI { 3152} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB1 )) 2.800 1.000 1.000 peak 3152 spectrum 1 weight 0.11000E+01 volume 0.17744E-02 ppm1 4.204 ppm2 1.665 CV 1 ASSI { 3153} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HG2 )) 4.200 1.000 1.000 peak 3153 spectrum 1 weight 0.11000E+01 volume 0.18266E-02 ppm1 4.216 ppm2 1.235 CV 1 ASSI { 3158} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 113 and name HE22)) 3.800 1.000 1.000 peak 3158 spectrum 1 weight 0.11000E+01 volume 0.16957E-02 ppm1 2.355 ppm2 7.413 CV 1 ASSI { 3160} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HN )) 3.000 1.000 1.000 peak 3160 spectrum 1 weight 0.11000E+01 volume 0.20457E-02 ppm1 3.959 ppm2 8.987 CV 1 ASSI { 3161} (( segid " " and resid 121 and name HA )) (( segid " " and resid 122 and name HN )) 3.800 1.000 1.000 peak 3161 spectrum 1 weight 0.11000E+01 volume 0.85578E-03 ppm1 3.953 ppm2 8.260 CV 1 ASSI { 3162} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG2 )) 2.900 1.000 1.000 peak 3162 spectrum 1 weight 0.11000E+01 volume 0.22960E-02 ppm1 3.960 ppm2 2.237 CV 1 ASSI { 3163} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) 2.800 1.000 1.000 peak 3163 spectrum 1 weight 0.11000E+01 volume 0.41760E-02 ppm1 3.958 ppm2 1.666 CV 1 ASSI { 3169} (( segid " " and resid 121 and name HG2 )) (( segid " " and resid 121 and name HN )) 2.800 1.000 1.000 peak 3169 spectrum 1 weight 0.11000E+01 volume 0.15616E-02 ppm1 2.241 ppm2 8.985 CV 1 ASSI { 3170} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB2 )) 2.800 1.000 0.700 peak 3170 spectrum 1 weight 0.11000E+01 volume 0.26041E-02 ppm1 4.500 ppm2 2.385 CV 1 ASSI { 3171} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HG2 )) 3.900 1.000 1.000 peak 3171 spectrum 1 weight 0.11000E+01 volume 0.12262E-02 ppm1 4.499 ppm2 2.137 CV 1 ASSI { 3172} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HG1 )) 4.000 1.000 1.000 peak 3172 spectrum 1 weight 0.11000E+01 volume 0.14548E-02 ppm1 4.504 ppm2 1.953 CV 1 ASSI { 3180} (( segid " " and resid 87 and name HD2 )) (( segid " " and resid 87 and name HG2 )) 2.900 1.000 1.000 peak 3180 spectrum 1 weight 0.11000E+01 volume 0.10813E-02 ppm1 4.502 ppm2 2.112 CV 1 ASSI { 3182} (( segid " " and resid 87 and name HD2 )) (( segid " " and resid 87 and name HG1 )) 3.400 1.000 1.000 peak 3182 spectrum 1 weight 0.11000E+01 volume 0.15378E-02 ppm1 4.492 ppm2 1.975 CV 1 ASSI { 3183} (( segid " " and resid 87 and name HD2 )) ( segid " " and resid 96 and name HE% ) 4.900 1.500 1.000 peak 3183 spectrum 1 weight 0.11000E+01 volume 0.14174E-02 ppm1 4.507 ppm2 6.660 CV 1 ASSI { 3184} (( segid " " and resid 87 and name HD1 )) ( segid " " and resid 96 and name HE% ) 4.000 1.000 1.000 peak 3184 spectrum 1 weight 0.11000E+01 volume 0.15126E-02 ppm1 3.867 ppm2 6.663 CV 1 ASSI { 3186} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HA )) 2.800 1.000 1.000 peak 3186 spectrum 1 weight 0.11000E+01 volume 0.15070E-02 ppm1 2.034 ppm2 4.841 CV 1 ASSI { 3187} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HB2 )) 1.800 0.200 0.600 peak 3187 spectrum 1 weight 0.11000E+01 volume 0.23885E-02 ppm1 2.038 ppm2 3.188 CV 1 ASSI { 3189} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 3189 spectrum 1 weight 0.11000E+01 volume 0.82327E-02 ppm1 0.657 ppm2 4.187 CV 1 ASSI { 3201} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG2 )) 2.800 1.000 1.000 peak 3201 spectrum 1 weight 0.11000E+01 volume 0.22916E-02 ppm1 1.413 ppm2 1.959 CV 1 ASSI { 3205} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 52 and name HA1 )) 3.300 1.000 1.500 peak 3205 spectrum 1 weight 0.11000E+01 volume 0.13337E-02 ppm1 1.955 ppm2 3.804 CV 1 ASSI { 3206} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 52 and name HA1 )) 4.500 1.500 1.500 peak 3206 spectrum 1 weight 0.11000E+01 volume 0.15552E-02 ppm1 1.737 ppm2 3.806 CV 1 ASSI { 3212} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 53 and name HN )) 3.300 1.000 1.000 peak 3212 spectrum 1 weight 0.11000E+01 volume 0.16160E-02 ppm1 1.330 ppm2 8.080 CV 1 ASSI { 3217} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HD21)) 4.600 1.000 1.000 peak 3217 spectrum 1 weight 0.11000E+01 volume 0.19673E-02 ppm1 3.923 ppm2 6.557 CV 1 ASSI { 3218} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 56 and name HB1 )) 3.200 1.000 1.000 peak 3218 spectrum 1 weight 0.11000E+01 volume 0.28535E-02 ppm1 0.654 ppm2 3.044 CV 1 ASSI { 3219} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HB2 )) 4.000 1.500 1.500 peak 3219 spectrum 1 weight 0.11000E+01 volume 0.33657E-02 ppm1 0.654 ppm2 3.034 CV 1 ASSI { 3222} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 1.800 0.200 0.500 peak 3222 spectrum 1 weight 0.11000E+01 volume 0.21871E-02 ppm1 2.423 ppm2 3.205 CV 1 ASSI { 3225} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 3225 spectrum 1 weight 0.11000E+01 volume 0.12951E-02 ppm1 -0.067 ppm2 1.673 CV 1 ASSI { 3226} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 3226 spectrum 1 weight 0.11000E+01 volume 0.12122E-02 ppm1 1.355 ppm2 4.363 CV 1 ASSI { 3228} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 22 and name HB2 )) 5.400 1.000 0.600 peak 3228 spectrum 1 weight 0.11000E+01 volume 0.10416E-02 ppm1 1.346 ppm2 1.660 CV 1 ASSI { 3230} ( segid " " and resid 123 and name HG2%) (( segid " " and resid 123 and name HB )) 2.800 1.000 0.600 peak 3230 spectrum 1 weight 0.11000E+01 volume 0.16353E-01 ppm1 0.977 ppm2 4.274 CV 1 ASSI { 3233} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 101 and name HB2 )) 3.900 1.000 1.000 peak 3233 spectrum 1 weight 0.11000E+01 volume 0.98730E-03 ppm1 0.526 ppm2 3.740 CV 1 ASSI { 3236} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 3236 spectrum 1 weight 0.11000E+01 volume 0.12518E-02 ppm1 2.904 ppm2 4.357 CV 1 ASSI { 3243} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HB2 )) 1.800 0.200 0.500 peak 3243 spectrum 1 weight 0.11000E+01 volume 0.39460E-02 ppm1 2.627 ppm2 3.121 CV 1 ASSI { 3245} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HN )) 3.000 1.000 1.000 peak 3245 spectrum 1 weight 0.11000E+01 volume 0.97775E-03 ppm1 0.724 ppm2 7.838 CV 1 ASSI { 3253} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 130 and name HD1 )) 3.600 1.000 1.800 peak 3253 spectrum 1 weight 0.11000E+01 volume 0.39293E-02 ppm1 0.947 ppm2 6.600 CV 1 ASSI { 3257} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG12)) 2.800 1.000 1.000 peak 3257 spectrum 1 weight 0.11000E+01 volume 0.33815E-02 ppm1 0.058 ppm2 1.059 CV 1 ASSI { 3258} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 100 and name HD1%) 2.800 1.000 1.000 peak 3258 spectrum 1 weight 0.11000E+01 volume 0.82336E-02 ppm1 0.056 ppm2 0.229 CV 1 ASSI { 3267} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HA )) 2.800 1.000 0.700 peak 3267 spectrum 1 weight 0.11000E+01 volume 0.38379E-02 ppm1 1.505 ppm2 4.223 CV 1 ASSI { 3274} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 0.800 peak 3274 spectrum 1 weight 0.11000E+01 volume 0.64600E-02 ppm1 4.195 ppm2 3.821 CV 1 ASSI { 3275} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.800 1.000 1.000 peak 3275 spectrum 1 weight 0.11000E+01 volume 0.67922E-02 ppm1 4.192 ppm2 3.739 CV 1 ASSI { 3282} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 3282 spectrum 1 weight 0.11000E+01 volume 0.10261E-02 ppm1 4.548 ppm2 9.221 CV 1 ASSI { 3283} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 2.800 1.000 0.800 peak 3283 spectrum 1 weight 0.11000E+01 volume 0.32514E-02 ppm1 4.552 ppm2 2.673 CV 1 ASSI { 3284} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB1 )) 2.800 1.000 1.000 peak 3284 spectrum 1 weight 0.11000E+01 volume 0.14618E-02 ppm1 4.540 ppm2 2.555 CV 1 ASSI { 3288} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG12)) 3.600 1.000 1.000 peak 3288 spectrum 1 weight 0.11000E+01 volume 0.10929E-02 ppm1 3.918 ppm2 1.291 CV 1 ASSI { 3294} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) 2.800 1.000 1.000 peak 3294 spectrum 1 weight 0.11000E+01 volume 0.11838E-02 ppm1 1.444 ppm2 0.247 CV 1 ASSI { 3301} (( segid " " and resid 63 and name HE2 )) (( segid " " and resid 63 and name HD2 )) 2.800 1.000 0.800 peak 3301 spectrum 1 weight 0.11000E+01 volume 0.55472E-02 ppm1 3.161 ppm2 1.775 CV 1 ASSI { 3308} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HE2 )) 2.800 1.000 1.000 peak 3308 spectrum 1 weight 0.11000E+01 volume 0.19512E-02 ppm1 1.671 ppm2 3.160 CV 1 ASSI { 3319} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 3319 spectrum 1 weight 0.11000E+01 volume 0.22529E-02 ppm1 2.814 ppm2 3.924 CV 1 ASSI { 3322} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.800 1.000 1.000 peak 3322 spectrum 1 weight 0.11000E+01 volume 0.14835E-02 ppm1 5.285 ppm2 2.280 CV 1 ASSI { 3323} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.800 1.000 1.000 peak 3323 spectrum 1 weight 0.11000E+01 volume 0.39193E-02 ppm1 5.286 ppm2 2.143 CV 1 ASSI { 3335} (( segid " " and resid 29 and name HA )) (( segid " " and resid 39 and name HD1 )) 5.300 1.000 1.000 peak 3335 spectrum 1 weight 0.11000E+01 volume 0.12495E-02 ppm1 5.104 ppm2 3.017 CV 1 ASSI { 3336} (( segid " " and resid 29 and name HA )) (( segid " " and resid 39 and name HA )) 2.800 1.500 1.000 peak 3336 spectrum 1 weight 0.11000E+01 volume 0.93954E-03 ppm1 5.097 ppm2 5.209 CV 1 ASSI { 3338} (( segid " " and resid 29 and name HA )) (( segid " " and resid 28 and name HA )) 4.500 1.000 1.000 peak 3338 spectrum 1 weight 0.11000E+01 volume 0.14065E-02 ppm1 5.093 ppm2 4.532 CV 1 ASSI { 3346} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB )) 2.900 1.000 1.000 peak 3346 spectrum 1 weight 0.11000E+01 volume 0.16292E-02 ppm1 4.251 ppm2 1.692 CV 1 ASSI { 3348} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HG2%) 2.800 1.000 0.700 peak 3348 spectrum 1 weight 0.11000E+01 volume 0.55792E-02 ppm1 4.246 ppm2 0.918 CV 1 ASSI { 3360} (( segid " " and resid 30 and name HG12)) ( segid " " and resid 30 and name HG2%) 2.800 1.000 0.800 peak 3360 spectrum 1 weight 0.11000E+01 volume 0.14781E-01 ppm1 1.248 ppm2 0.890 CV 1 ASSI { 3367} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 28 and name HA )) 4.500 1.000 1.500 peak 3367 spectrum 1 weight 0.11000E+01 volume 0.32785E-02 ppm1 0.911 ppm2 4.537 CV 1 ASSI { 3369} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HB )) 2.800 1.000 0.700 peak 3369 spectrum 1 weight 0.11000E+01 volume 0.61026E-02 ppm1 0.914 ppm2 1.703 CV 1 ASSI { 3375} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HN )) 4.000 1.000 1.000 peak 3375 spectrum 1 weight 0.11000E+01 volume 0.20344E-02 ppm1 0.576 ppm2 9.486 CV 1 ASSI { 3380} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HB )) 2.800 1.000 1.000 peak 3380 spectrum 1 weight 0.11000E+01 volume 0.48996E-02 ppm1 0.570 ppm2 1.703 CV 1 ASSI { 3382} ( segid " " and resid 30 and name HD1%) ( segid " " and resid 30 and name HG2%) 2.800 1.000 0.700 peak 3382 spectrum 1 weight 0.11000E+01 volume 0.14543E-01 ppm1 0.574 ppm2 0.901 CV 1 ASSI { 3387} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 3387 spectrum 1 weight 0.11000E+01 volume 0.25817E-02 ppm1 4.874 ppm2 2.759 CV 1 ASSI { 3388} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HG2%) 4.500 1.000 1.000 peak 3388 spectrum 1 weight 0.11000E+01 volume 0.16687E-02 ppm1 4.860 ppm2 0.899 CV 1 ASSI { 3392} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HG12)) 2.800 1.000 1.000 peak 3392 spectrum 1 weight 0.11000E+01 volume 0.29951E-02 ppm1 1.870 ppm2 1.435 CV 1 ASSI { 3394} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HG11)) 2.800 1.000 1.000 peak 3394 spectrum 1 weight 0.11000E+01 volume 0.18539E-02 ppm1 1.873 ppm2 1.244 CV 1 ASSI { 3402} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HN )) 2.900 1.000 1.000 peak 3402 spectrum 1 weight 0.11000E+01 volume 0.47604E-02 ppm1 0.912 ppm2 8.690 CV 1 ASSI { 3403} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HA )) 3.900 1.000 1.000 peak 3403 spectrum 1 weight 0.11000E+01 volume 0.17971E-02 ppm1 0.911 ppm2 4.372 CV 1 ASSI { 3404} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HG2 )) 3.300 1.000 1.000 peak 3404 spectrum 1 weight 0.11000E+01 volume 0.56004E-02 ppm1 0.908 ppm2 1.620 CV 1 ASSI { 3405} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HG12)) 2.800 1.000 1.000 peak 3405 spectrum 1 weight 0.11000E+01 volume 0.39945E-02 ppm1 0.909 ppm2 1.421 CV 1 ASSI { 3406} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HG11)) 2.800 1.000 0.600 peak 3406 spectrum 1 weight 0.11000E+01 volume 0.81041E-02 ppm1 0.909 ppm2 1.247 CV 1 ASSI { 3407} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HG1 )) 5.400 1.000 1.000 peak 3407 spectrum 1 weight 0.11000E+01 volume 0.13904E-02 ppm1 0.855 ppm2 1.591 CV 1 ASSI { 3408} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 3.400 1.000 1.000 peak 3408 spectrum 1 weight 0.11000E+01 volume 0.14153E-02 ppm1 4.355 ppm2 9.056 CV 1 ASSI { 3409} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 3409 spectrum 1 weight 0.11000E+01 volume 0.66242E-02 ppm1 4.358 ppm2 1.848 CV 1 ASSI { 3414} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 0.500 peak 3414 spectrum 1 weight 0.11000E+01 volume 0.92921E-02 ppm1 1.624 ppm2 1.843 CV 1 ASSI { 3419} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.800 1.000 0.600 peak 3419 spectrum 1 weight 0.11000E+01 volume 0.76630E-02 ppm1 3.215 ppm2 1.618 CV 1 ASSI { 3420} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) 2.800 1.000 1.000 peak 3420 spectrum 1 weight 0.11000E+01 volume 0.86827E-02 ppm1 3.122 ppm2 1.617 CV 1 ASSI { 3421} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 3421 spectrum 1 weight 0.11000E+01 volume 0.37278E-02 ppm1 3.213 ppm2 1.847 CV 1 ASSI { 3422} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 3422 spectrum 1 weight 0.11000E+01 volume 0.45302E-02 ppm1 3.129 ppm2 1.841 CV 1 ASSI { 3424} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HA )) 4.400 1.500 1.000 peak 3424 spectrum 1 weight 0.11000E+01 volume 0.12357E-02 ppm1 3.124 ppm2 4.356 CV 1 ASSI { 3431} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HD2 )) 2.900 1.000 1.500 peak 3431 spectrum 1 weight 0.11000E+01 volume 0.50271E-02 ppm1 4.374 ppm2 1.597 CV 1 ASSI { 3438} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 3438 spectrum 1 weight 0.11000E+01 volume 0.26087E-02 ppm1 2.089 ppm2 4.372 CV 1 ASSI { 3443} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) 2.800 1.000 0.600 peak 3443 spectrum 1 weight 0.11000E+01 volume 0.73102E-02 ppm1 1.269 ppm2 2.085 CV 1 ASSI { 3444} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HA )) 2.800 1.000 0.700 peak 3444 spectrum 1 weight 0.11000E+01 volume 0.75851E-02 ppm1 1.270 ppm2 4.547 CV 1 ASSI { 3448} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HD2 )) 2.800 1.000 1.000 peak 3448 spectrum 1 weight 0.11000E+01 volume 0.25955E-02 ppm1 2.734 ppm2 1.584 CV 1 ASSI { 3451} (( segid " " and resid 36 and name HA2 )) (( segid " " and resid 36 and name HA1 )) 1.800 0.200 0.400 peak 3451 spectrum 1 weight 0.11000E+01 volume 0.65616E-02 ppm1 4.278 ppm2 3.786 CV 1 ASSI { 3455} (( segid " " and resid 37 and name HA )) (( segid " " and resid 31 and name HA )) 1.800 1.000 1.500 peak 3455 spectrum 1 weight 0.11000E+01 volume 0.22417E-02 ppm1 5.096 ppm2 4.714 CV 1 ASSI { 3457} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB1 )) 2.800 1.000 1.000 peak 3457 spectrum 1 weight 0.11000E+01 volume 0.22362E-02 ppm1 5.092 ppm2 3.680 CV 1 ASSI { 3461} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.600 1.000 1.000 peak 3461 spectrum 1 weight 0.11000E+01 volume 0.20066E-02 ppm1 1.005 ppm2 3.677 CV 1 ASSI { 3464} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) 2.900 1.000 1.000 peak 3464 spectrum 1 weight 0.11000E+01 volume 0.21492E-02 ppm1 3.688 ppm2 8.360 CV 1 ASSI { 3468} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.800 1.000 1.000 peak 3468 spectrum 1 weight 0.11000E+01 volume 0.24230E-02 ppm1 3.744 ppm2 5.093 CV 1 ASSI { 3471} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 58 and name HB2 )) 3.300 1.000 1.000 peak 3471 spectrum 1 weight 0.11000E+01 volume 0.20940E-02 ppm1 3.738 ppm2 1.989 CV 1 ASSI { 3472} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 58 and name HB1 )) 3.700 1.000 1.000 peak 3472 spectrum 1 weight 0.11000E+01 volume 0.13307E-02 ppm1 3.743 ppm2 1.823 CV 1 ASSI { 3478} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.800 1.000 1.000 peak 3478 spectrum 1 weight 0.11000E+01 volume 0.66348E-02 ppm1 0.590 ppm2 1.608 CV 1 ASSI { 3483} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 57 and name HA )) 5.000 1.000 1.000 peak 3483 spectrum 1 weight 0.11000E+01 volume 0.10873E-02 ppm1 0.627 ppm2 4.752 CV 1 ASSI { 3485} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 3485 spectrum 1 weight 0.11000E+01 volume 0.96201E-03 ppm1 0.622 ppm2 9.464 CV 1 ASSI { 3495} ( segid " " and resid 30 and name HD1%) ( segid " " and resid 128 and name HD% ) 3.500 1.000 1.500 peak 3495 spectrum 1 weight 0.11000E+01 volume 0.45472E-02 ppm1 0.572 ppm2 6.777 CV 1 ASSI { 3497} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 128 and name HZ )) 3.500 1.000 1.500 peak 3497 spectrum 1 weight 0.11000E+01 volume 0.29060E-02 ppm1 0.586 ppm2 6.902 CV 1 ASSI { 3499} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 128 and name HD% ) 5.500 1.900 0.500 peak 3499 spectrum 1 weight 0.11000E+01 volume 0.43205E-02 ppm1 0.627 ppm2 6.788 CV 1 ASSI { 3500} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 128 and name HE% ) 4.500 1.000 1.500 peak 3500 spectrum 1 weight 0.11000E+01 volume 0.25511E-02 ppm1 0.626 ppm2 7.005 CV 1 ASSI { 3502} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 57 and name HD% ) 2.900 1.000 1.000 peak 3502 spectrum 1 weight 0.11000E+01 volume 0.17379E-02 ppm1 2.838 ppm2 7.050 CV 1 ASSI { 3506} ( segid " " and resid 30 and name HD1%) ( segid " " and resid 128 and name HE% ) 4.000 1.500 2.000 peak 3506 spectrum 1 weight 0.11000E+01 volume 0.41654E-02 ppm1 0.576 ppm2 7.008 CV 1 ASSI { 3507} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 128 and name HE% ) 4.000 1.000 2.000 peak 3507 spectrum 1 weight 0.11000E+01 volume 0.37446E-02 ppm1 0.591 ppm2 7.034 CV 1 ASSI { 3508} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 2.800 1.000 1.000 peak 3508 spectrum 1 weight 0.11000E+01 volume 0.11144E-02 ppm1 5.196 ppm2 1.748 CV 1 ASSI { 3516} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 1.800 0.200 0.400 peak 3516 spectrum 1 weight 0.11000E+01 volume 0.37575E-02 ppm1 0.887 ppm2 1.322 CV 1 ASSI { 3519} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 41 and name HN )) 3.000 1.000 1.500 peak 3519 spectrum 1 weight 0.11000E+01 volume 0.47416E-02 ppm1 0.650 ppm2 9.212 CV 1 ASSI { 3524} ( segid " " and resid 55 and name HB% ) (( segid " " and resid 40 and name HA )) 3.200 1.000 1.000 peak 3524 spectrum 1 weight 0.11000E+01 volume 0.22194E-02 ppm1 1.229 ppm2 5.065 CV 1 ASSI { 3527} ( segid " " and resid 55 and name HB% ) (( segid " " and resid 54 and name HA2 )) 4.000 1.000 1.000 peak 3527 spectrum 1 weight 0.11000E+01 volume 0.26870E-02 ppm1 1.230 ppm2 4.401 CV 1 ASSI { 3538} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 3538 spectrum 1 weight 0.11000E+01 volume 0.26718E-02 ppm1 0.916 ppm2 3.844 CV 1 ASSI { 3540} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HB1 )) 2.800 1.000 1.000 peak 3540 spectrum 1 weight 0.11000E+01 volume 0.55425E-02 ppm1 0.237 ppm2 0.888 CV 1 ASSI { 3543} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 3543 spectrum 1 weight 0.11000E+01 volume 0.30717E-02 ppm1 0.239 ppm2 1.346 CV 1 ASSI { 3544} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 28 and name HD% ) 4.100 1.000 1.000 peak 3544 spectrum 1 weight 0.11000E+01 volume 0.24624E-02 ppm1 0.237 ppm2 7.236 CV 1 ASSI { 3545} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB1 )) 2.800 1.000 1.000 peak 3545 spectrum 1 weight 0.11000E+01 volume 0.46773E-02 ppm1 -0.018 ppm2 0.892 CV 1 ASSI { 3546} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HG )) 2.800 1.000 0.700 peak 3546 spectrum 1 weight 0.11000E+01 volume 0.51907E-02 ppm1 -0.019 ppm2 1.232 CV 1 ASSI { 3550} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 3550 spectrum 1 weight 0.11000E+01 volume 0.75085E-03 ppm1 -0.017 ppm2 5.058 CV 1 ASSI { 3552} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB )) 2.800 1.000 1.000 peak 3552 spectrum 1 weight 0.11000E+01 volume 0.22529E-02 ppm1 4.145 ppm2 1.990 CV 1 ASSI { 3558} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name HB )) 2.800 1.000 0.500 peak 3558 spectrum 1 weight 0.11000E+01 volume 0.23126E-01 ppm1 0.895 ppm2 2.011 CV 1 ASSI { 3559} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 3559 spectrum 1 weight 0.11000E+01 volume 0.50641E-02 ppm1 4.371 ppm2 2.086 CV 1 ASSI { 3560} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB1 )) 2.800 1.000 0.700 peak 3560 spectrum 1 weight 0.11000E+01 volume 0.59484E-02 ppm1 4.374 ppm2 1.956 CV 1 ASSI { 3572} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HE21)) 2.800 1.000 1.000 peak 3572 spectrum 1 weight 0.11000E+01 volume 0.16611E-02 ppm1 2.334 ppm2 6.825 CV 1 ASSI { 3574} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 0.500 peak 3574 spectrum 1 weight 0.11000E+01 volume 0.19014E-01 ppm1 2.324 ppm2 2.088 CV 1 ASSI { 3575} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HB1 )) 2.800 1.000 0.700 peak 3575 spectrum 1 weight 0.11000E+01 volume 0.11086E-01 ppm1 2.327 ppm2 1.966 CV 1 ASSI { 3581} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 3581 spectrum 1 weight 0.11000E+01 volume 0.19715E-02 ppm1 2.621 ppm2 4.641 CV 1 ASSI { 3584} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.800 1.000 1.000 peak 3584 spectrum 1 weight 0.11000E+01 volume 0.19996E-02 ppm1 4.668 ppm2 2.796 CV 1 ASSI { 3586} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 3.000 1.000 1.000 peak 3586 spectrum 1 weight 0.11000E+01 volume 0.29833E-02 ppm1 2.627 ppm2 4.664 CV 1 ASSI { 3589} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 1.800 0.200 0.500 peak 3589 spectrum 1 weight 0.11000E+01 volume 0.56850E-02 ppm1 2.799 ppm2 2.619 CV 1 ASSI { 3597} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 126 and name HN )) 3.600 1.000 1.000 peak 3597 spectrum 1 weight 0.11000E+01 volume 0.31851E-02 ppm1 1.036 ppm2 9.011 CV 1 ASSI { 3598} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 128 and name HE% ) 2.800 1.000 1.000 peak 3598 spectrum 1 weight 0.11000E+01 volume 0.45731E-02 ppm1 1.039 ppm2 7.016 CV 1 ASSI { 3599} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 128 and name HE% ) 3.200 1.000 1.000 peak 3599 spectrum 1 weight 0.11000E+01 volume 0.50065E-02 ppm1 0.687 ppm2 7.016 CV 1 ASSI { 3600} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 128 and name HD% ) 5.000 1.000 1.000 peak 3600 spectrum 1 weight 0.11000E+01 volume 0.12429E-02 ppm1 1.043 ppm2 6.794 CV 1 ASSI { 3602} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 128 and name HZ )) 2.800 1.000 1.000 peak 3602 spectrum 1 weight 0.11000E+01 volume 0.22193E-02 ppm1 0.689 ppm2 6.898 CV 1 ASSI { 3603} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 128 and name HD% ) 4.300 1.000 1.000 peak 3603 spectrum 1 weight 0.11000E+01 volume 0.40086E-02 ppm1 0.684 ppm2 6.784 CV 1 ASSI { 3604} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 96 and name HE% ) 5.000 1.000 1.000 peak 3604 spectrum 1 weight 0.11000E+01 volume 0.14476E-02 ppm1 0.687 ppm2 6.661 CV 1 ASSI { 3605} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 127 and name HD% ) 3.300 1.000 1.500 peak 3605 spectrum 1 weight 0.11000E+01 volume 0.36497E-02 ppm1 0.850 ppm2 7.029 CV 1 ASSI { 3607} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HA )) 3.300 1.000 1.000 peak 3607 spectrum 1 weight 0.11000E+01 volume 0.35912E-02 ppm1 0.687 ppm2 4.353 CV 1 ASSI { 3608} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HG )) 2.800 1.000 0.700 peak 3608 spectrum 1 weight 0.11000E+01 volume 0.58829E-02 ppm1 0.685 ppm2 1.728 CV 1 ASSI { 3610} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 126 and name HD2%) 2.800 1.000 0.600 peak 3610 spectrum 1 weight 0.11000E+01 volume 0.14370E-01 ppm1 0.688 ppm2 1.017 CV 1 ASSI { 3618} (( segid " " and resid 126 and name HG )) ( segid " " and resid 126 and name HD1%) 2.800 1.000 1.000 peak 3618 spectrum 1 weight 0.11000E+01 volume 0.21898E-02 ppm1 1.742 ppm2 0.688 CV 1 ASSI { 3619} (( segid " " and resid 126 and name HG )) ( segid " " and resid 126 and name HD2%) 2.800 1.000 1.000 peak 3619 spectrum 1 weight 0.11000E+01 volume 0.23058E-02 ppm1 1.738 ppm2 1.031 CV 1 ASSI { 3621} (( segid " " and resid 126 and name HG )) ( segid " " and resid 119 and name HG2%) 4.800 1.000 1.000 peak 3621 spectrum 1 weight 0.11000E+01 volume 0.17964E-02 ppm1 1.741 ppm2 0.910 CV 1 ASSI { 3623} (( segid " " and resid 126 and name HG )) ( segid " " and resid 128 and name HE% ) 4.700 1.000 1.000 peak 3623 spectrum 1 weight 0.11000E+01 volume 0.10807E-02 ppm1 1.726 ppm2 7.010 CV 1 ASSI { 3625} (( segid " " and resid 126 and name HA )) ( segid " " and resid 119 and name HG2%) 4.000 1.000 1.000 peak 3625 spectrum 1 weight 0.11000E+01 volume 0.21606E-02 ppm1 4.370 ppm2 0.904 CV 1 ASSI { 3637} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 96 and name HD% ) 4.200 1.000 1.000 peak 3637 spectrum 1 weight 0.11000E+01 volume 0.11460E-02 ppm1 0.688 ppm2 7.126 CV 1 ASSI { 3649} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 42 and name HG2%) 4.200 1.000 1.500 peak 3649 spectrum 1 weight 0.11000E+01 volume 0.18378E-02 ppm1 -0.066 ppm2 0.914 CV 1 ASSI { 3651} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB1 )) 2.800 1.000 1.000 peak 3651 spectrum 1 weight 0.11000E+01 volume 0.15271E-02 ppm1 -0.070 ppm2 1.349 CV 1 ASSI { 3653} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 134 and name HD1%) 3.600 1.500 1.500 peak 3653 spectrum 1 weight 0.11000E+01 volume 0.26080E-02 ppm1 -0.456 ppm2 0.703 CV 1 ASSI { 3655} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 71 and name HD1%) 3.500 1.000 1.000 peak 3655 spectrum 1 weight 0.11000E+01 volume 0.30829E-02 ppm1 -0.455 ppm2 0.477 CV 1 ASSI { 3656} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 100 and name HG12)) 4.000 1.000 1.500 peak 3656 spectrum 1 weight 0.11000E+01 volume 0.18228E-02 ppm1 -0.021 ppm2 1.077 CV 1 ASSI { 3657} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 30 and name HD1%) 3.300 1.000 1.000 peak 3657 spectrum 1 weight 0.11000E+01 volume 0.44635E-02 ppm1 -0.023 ppm2 0.581 CV 1 ASSI { 3658} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 100 and name HG11)) 4.300 1.000 1.500 peak 3658 spectrum 1 weight 0.11000E+01 volume 0.13400E-02 ppm1 -0.018 ppm2 0.432 CV 1 ASSI { 3660} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HD1%) 4.200 1.000 1.500 peak 3660 spectrum 1 weight 0.11000E+01 volume 0.14732E-02 ppm1 0.883 ppm2 0.581 CV 1 ASSI { 3661} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 38 and name HD1%) 4.500 1.000 1.000 peak 3661 spectrum 1 weight 0.11000E+01 volume 0.79249E-03 ppm1 1.330 ppm2 0.582 CV 1 ASSI { 3669} (( segid " " and resid 40 and name HG )) ( segid " " and resid 40 and name HD2%) 2.800 1.000 1.000 peak 3669 spectrum 1 weight 0.11000E+01 volume 0.20542E-02 ppm1 1.236 ppm2 0.235 CV 1 ASSI { 3677} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 3677 spectrum 1 weight 0.11000E+01 volume 0.13508E-02 ppm1 -0.019 ppm2 8.809 CV 1 ASSI { 3679} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 78 and name HD1%) 2.900 1.000 1.000 peak 3679 spectrum 1 weight 0.11000E+01 volume 0.50274E-02 ppm1 0.728 ppm2 0.013 CV 1 ASSI { 3680} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 8 and name HG2%) 2.800 1.000 0.600 peak 3680 spectrum 1 weight 0.11000E+01 volume 0.12844E-01 ppm1 0.725 ppm2 1.269 CV 1 ASSI { 3684} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HB )) 2.800 1.000 0.600 peak 3684 spectrum 1 weight 0.11000E+01 volume 0.86753E-02 ppm1 0.725 ppm2 2.081 CV 1 ASSI { 3685} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 17 and name HB2 )) 3.400 1.000 1.000 peak 3685 spectrum 1 weight 0.11000E+01 volume 0.34614E-02 ppm1 0.727 ppm2 2.851 CV 1 ASSI { 3688} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 73 and name HB1 )) 2.800 1.000 1.000 peak 3688 spectrum 1 weight 0.11000E+01 volume 0.18545E-02 ppm1 0.714 ppm2 2.582 CV 1 ASSI { 3689} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 73 and name HB2 )) 4.000 1.500 1.000 peak 3689 spectrum 1 weight 0.11000E+01 volume 0.16265E-02 ppm1 0.727 ppm2 3.072 CV 1 ASSI { 3692} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 3692 spectrum 1 weight 0.11000E+01 volume 0.32042E-02 ppm1 0.726 ppm2 4.548 CV 1 ASSI { 3693} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 73 and name HD% ) 3.300 1.300 1.300 peak 3693 spectrum 1 weight 0.11000E+01 volume 0.25763E-02 ppm1 0.726 ppm2 6.792 CV 1 ASSI { 3694} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 43 and name HN )) 3.300 1.000 1.000 peak 3694 spectrum 1 weight 0.11000E+01 volume 0.18933E-02 ppm1 0.695 ppm2 7.971 CV 1 ASSI { 3695} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 82 and name HH )) 4.600 1.000 1.000 peak 3695 spectrum 1 weight 0.11000E+01 volume 0.11675E-02 ppm1 0.696 ppm2 9.640 CV 1 ASSI { 3696} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 82 and name HH )) 5.500 1.000 0.500 peak 3696 spectrum 1 weight 0.11000E+01 volume 0.76345E-03 ppm1 0.238 ppm2 9.639 CV 1 ASSI { 3697} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 102 and name HN )) 3.300 1.000 1.000 peak 3697 spectrum 1 weight 0.11000E+01 volume 0.19158E-02 ppm1 0.801 ppm2 9.633 CV 1 ASSI { 3706} (( segid " " and resid 24 and name HD2 )) (( segid " " and resid 24 and name HB2 )) 3.300 1.000 1.000 peak 3706 spectrum 1 weight 0.11000E+01 volume 0.18157E-02 ppm1 2.842 ppm2 1.887 CV 1 ASSI { 3707} (( segid " " and resid 24 and name HD2 )) (( segid " " and resid 24 and name HD1 )) 1.800 0.200 0.800 peak 3707 spectrum 1 weight 0.11000E+01 volume 0.15977E-01 ppm1 2.831 ppm2 2.627 CV 1 ASSI { 3714} (( segid " " and resid 39 and name HD2 )) (( segid " " and resid 39 and name HG2 )) 2.800 1.000 1.000 peak 3714 spectrum 1 weight 0.11000E+01 volume 0.42133E-02 ppm1 3.026 ppm2 1.371 CV 1 ASSI { 3715} (( segid " " and resid 39 and name HD2 )) (( segid " " and resid 39 and name HB2 )) 2.900 1.000 1.000 peak 3715 spectrum 1 weight 0.11000E+01 volume 0.25255E-02 ppm1 3.032 ppm2 1.742 CV 1 ASSI { 3723} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HD1 )) 2.900 1.000 1.000 peak 3723 spectrum 1 weight 0.11000E+01 volume 0.21047E-02 ppm1 2.733 ppm2 1.441 CV 1 ASSI { 3725} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG1 )) 3.100 1.000 1.000 peak 3725 spectrum 1 weight 0.11000E+01 volume 0.46197E-02 ppm1 4.359 ppm2 1.302 CV 1 ASSI { 3729} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG2 )) 3.100 1.000 1.000 peak 3729 spectrum 1 weight 0.11000E+01 volume 0.21643E-02 ppm1 4.375 ppm2 1.441 CV 1 ASSI { 3730} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HD1 )) 2.900 1.000 1.000 peak 3730 spectrum 1 weight 0.11000E+01 volume 0.22140E-02 ppm1 4.371 ppm2 1.442 CV 1 ASSI { 3731} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HN )) 4.600 1.000 1.000 peak 3731 spectrum 1 weight 0.11000E+01 volume 0.10123E-02 ppm1 1.298 ppm2 9.078 CV 1 ASSI { 3742} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HB1 )) 2.800 1.000 1.000 peak 3742 spectrum 1 weight 0.11000E+01 volume 0.23914E-02 ppm1 1.315 ppm2 1.956 CV 1 ASSI { 3751} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 3751 spectrum 1 weight 0.11000E+01 volume 0.50879E-02 ppm1 1.317 ppm2 1.673 CV 1 ASSI { 3761} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HD2%) 2.900 1.000 1.000 peak 3761 spectrum 1 weight 0.11000E+01 volume 0.95543E-02 ppm1 4.210 ppm2 0.836 CV 1 ASSI { 3763} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HD1%) 2.800 1.000 0.500 peak 3763 spectrum 1 weight 0.11000E+01 volume 0.11575E-01 ppm1 4.220 ppm2 0.731 CV 1 ASSI { 3772} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HB1 )) 3.000 1.000 1.000 peak 3772 spectrum 1 weight 0.11000E+01 volume 0.19261E-02 ppm1 3.785 ppm2 1.956 CV 1 ASSI { 3773} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) 3.000 1.000 1.000 peak 3773 spectrum 1 weight 0.11000E+01 volume 0.12050E-02 ppm1 4.116 ppm2 2.312 CV 1 ASSI { 3774} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 10 and name HA )) 2.800 1.000 0.600 peak 3774 spectrum 1 weight 0.11000E+01 volume 0.44861E-02 ppm1 3.780 ppm2 4.228 CV 1 ASSI { 3775} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HD2 )) 1.800 0.200 0.600 peak 3775 spectrum 1 weight 0.11000E+01 volume 0.77390E-02 ppm1 3.778 ppm2 4.109 CV 1 ASSI { 3783} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HB2 )) 2.800 1.000 0.700 peak 3783 spectrum 1 weight 0.11000E+01 volume 0.14775E-01 ppm1 2.239 ppm2 2.009 CV 1 ASSI { 3784} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HB1 )) 2.800 1.000 1.000 peak 3784 spectrum 1 weight 0.11000E+01 volume 0.75934E-02 ppm1 2.232 ppm2 1.859 CV 1 ASSI { 3785} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) 2.800 1.000 0.400 peak 3785 spectrum 1 weight 0.11000E+01 volume 0.13439E-01 ppm1 4.289 ppm2 8.495 CV 1 ASSI { 3787} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 2.800 1.000 0.700 peak 3787 spectrum 1 weight 0.11000E+01 volume 0.51178E-02 ppm1 4.292 ppm2 2.005 CV 1 ASSI { 3788} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) 2.800 0.800 0.800 peak 3788 spectrum 1 weight 0.11000E+01 volume 0.43698E-02 ppm1 4.291 ppm2 1.863 CV 1 ASSI { 3796} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HA )) 2.800 0.800 0.800 peak 3796 spectrum 1 weight 0.11000E+01 volume 0.40497E-02 ppm1 1.870 ppm2 4.266 CV 1 ASSI { 3797} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 3797 spectrum 1 weight 0.11000E+01 volume 0.45816E-02 ppm1 2.012 ppm2 4.267 CV 1 ASSI { 3805} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HA )) 3.800 1.000 1.000 peak 3805 spectrum 1 weight 0.11000E+01 volume 0.22552E-02 ppm1 2.236 ppm2 4.276 CV 1 ASSI { 3807} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 61 and name HA1 )) 1.800 0.200 0.400 peak 3807 spectrum 1 weight 0.11000E+01 volume 0.84401E-02 ppm1 4.016 ppm2 3.814 CV 1 ASSI { 3810} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HB1 )) 1.800 0.200 0.600 peak 3810 spectrum 1 weight 0.11000E+01 volume 0.34259E-02 ppm1 3.211 ppm2 3.046 CV 1 ASSI { 3813} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 57 and name HD% ) 2.800 1.000 1.000 peak 3813 spectrum 1 weight 0.11000E+01 volume 0.13464E-02 ppm1 3.271 ppm2 7.061 CV 1 ASSI { 3814} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 3814 spectrum 1 weight 0.11000E+01 volume 0.13756E-02 ppm1 3.284 ppm2 8.540 CV 1 ASSI { 3819} (( segid " " and resid 60 and name HB )) (( segid " " and resid 62 and name HG12)) 4.000 1.000 1.000 peak 3819 spectrum 1 weight 0.11000E+01 volume 0.15672E-02 ppm1 4.206 ppm2 1.276 CV 1 ASSI { 3823} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 3823 spectrum 1 weight 0.11000E+01 volume 0.25737E-02 ppm1 0.005 ppm2 1.714 CV 1 ASSI { 3824} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 2.800 1.000 0.800 peak 3824 spectrum 1 weight 0.11000E+01 volume 0.33689E-02 ppm1 4.032 ppm2 4.349 CV 1 ASSI { 3837} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB1 )) 2.800 1.000 0.800 peak 3837 spectrum 1 weight 0.11000E+01 volume 0.37407E-02 ppm1 4.538 ppm2 1.505 CV 1 ASSI { 3839} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HD2%) 2.900 1.100 1.100 peak 3839 spectrum 1 weight 0.11000E+01 volume 0.43704E-02 ppm1 4.540 ppm2 0.826 CV 1 ASSI { 3846} (( segid " " and resid 115 and name HB1 )) ( segid " " and resid 115 and name HD2%) 3.000 1.000 1.000 peak 3846 spectrum 1 weight 0.11000E+01 volume 0.38494E-02 ppm1 1.491 ppm2 0.815 CV 1 ASSI { 3847} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 115 and name HD2%) 2.800 1.000 0.800 peak 3847 spectrum 1 weight 0.11000E+01 volume 0.44009E-02 ppm1 1.519 ppm2 0.814 CV 1 ASSI { 3848} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HA )) 2.900 1.000 1.000 peak 3848 spectrum 1 weight 0.11000E+01 volume 0.23425E-02 ppm1 1.530 ppm2 4.536 CV 1 ASSI { 3852} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 92 and name HB1 )) 2.800 1.000 1.000 peak 3852 spectrum 1 weight 0.11000E+01 volume 0.13487E-01 ppm1 0.729 ppm2 1.499 CV 1 ASSI { 3862} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) 1.800 0.200 0.500 peak 3862 spectrum 1 weight 0.11000E+01 volume 0.65590E-02 ppm1 1.770 ppm2 1.654 CV 1 ASSI { 3865} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 0.700 peak 3865 spectrum 1 weight 0.11000E+01 volume 0.47860E-02 ppm1 1.998 ppm2 1.770 CV 1 ASSI { 3866} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HB1 )) 2.800 1.000 1.000 peak 3866 spectrum 1 weight 0.11000E+01 volume 0.46694E-02 ppm1 2.010 ppm2 1.660 CV 1 ASSI { 3867} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HA )) 4.000 1.000 1.000 peak 3867 spectrum 1 weight 0.11000E+01 volume 0.83649E-03 ppm1 2.094 ppm2 5.983 CV 1 ASSI { 3873} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HN )) 3.000 1.000 1.000 peak 3873 spectrum 1 weight 0.11000E+01 volume 0.10403E-02 ppm1 1.644 ppm2 9.040 CV 1 ASSI { 3876} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG2 )) 2.800 1.000 1.000 peak 3876 spectrum 1 weight 0.11000E+01 volume 0.52406E-02 ppm1 1.783 ppm2 2.072 CV 1 ASSI { 3880} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HG2 )) 2.800 1.000 0.700 peak 3880 spectrum 1 weight 0.11000E+01 volume 0.48609E-02 ppm1 1.658 ppm2 2.072 CV 1 ASSI { 3892} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 91 and name HB2 )) 2.800 1.000 1.000 peak 3892 spectrum 1 weight 0.11000E+01 volume 0.14065E-02 ppm1 0.820 ppm2 2.811 CV 1 ASSI { 3893} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 91 and name HB1 )) 2.800 1.000 1.500 peak 3893 spectrum 1 weight 0.11000E+01 volume 0.22298E-02 ppm1 0.818 ppm2 2.476 CV 1 ASSI { 3895} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HB1 )) 1.800 0.200 0.400 peak 3895 spectrum 1 weight 0.11000E+01 volume 0.45728E-02 ppm1 2.813 ppm2 2.480 CV 1 ASSI { 3907} (( segid " " and resid 92 and name HG )) (( segid " " and resid 92 and name HA )) 3.800 1.000 1.000 peak 3907 spectrum 1 weight 0.11000E+01 volume 0.14063E-02 ppm1 1.587 ppm2 4.226 CV 1 ASSI { 3913} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 92 and name HG )) 2.800 1.000 0.500 peak 3913 spectrum 1 weight 0.11000E+01 volume 0.11778E-01 ppm1 0.725 ppm2 1.585 CV 1 ASSI { 3915} ( segid " " and resid 92 and name HD2%) (( segid " " and resid 92 and name HB1 )) 2.800 1.000 0.500 peak 3915 spectrum 1 weight 0.11000E+01 volume 0.17827E-01 ppm1 0.803 ppm2 1.500 CV 1 ASSI { 3916} ( segid " " and resid 92 and name HD2%) (( segid " " and resid 92 and name HG )) 2.800 1.000 0.600 peak 3916 spectrum 1 weight 0.11000E+01 volume 0.81293E-02 ppm1 0.800 ppm2 1.592 CV 1 ASSI { 3922} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HG2 )) 1.800 0.200 0.500 peak 3922 spectrum 1 weight 0.11000E+01 volume 0.56562E-02 ppm1 1.179 ppm2 1.315 CV 1 ASSI { 3924} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HD2 )) 2.800 1.000 0.700 peak 3924 spectrum 1 weight 0.11000E+01 volume 0.31190E-02 ppm1 1.158 ppm2 1.742 CV 1 ASSI { 3927} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HB2 )) 3.000 1.000 1.000 peak 3927 spectrum 1 weight 0.11000E+01 volume 0.12597E-02 ppm1 1.163 ppm2 1.951 CV 1 ASSI { 3942} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HG1 )) 2.800 1.000 1.000 peak 3942 spectrum 1 weight 0.11000E+01 volume 0.35998E-02 ppm1 2.931 ppm2 1.156 CV 1 ASSI { 3944} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HG2 )) 2.800 1.000 1.000 peak 3944 spectrum 1 weight 0.11000E+01 volume 0.53457E-02 ppm1 2.929 ppm2 1.333 CV 1 ASSI { 3946} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HD1 )) 2.800 1.000 0.500 peak 3946 spectrum 1 weight 0.11000E+01 volume 0.13552E-01 ppm1 2.936 ppm2 1.626 CV 1 ASSI { 3947} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HD2 )) 2.800 1.000 0.700 peak 3947 spectrum 1 weight 0.11000E+01 volume 0.73146E-02 ppm1 2.926 ppm2 1.739 CV 1 ASSI { 3948} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HB2 )) 4.000 1.500 1.000 peak 3948 spectrum 1 weight 0.11000E+01 volume 0.22639E-02 ppm1 2.926 ppm2 1.926 CV 1 ASSI { 3957} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 95 and name HN )) 4.000 1.000 1.000 peak 3957 spectrum 1 weight 0.11000E+01 volume 0.10942E-02 ppm1 1.617 ppm2 8.101 CV 1 ASSI { 3958} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) 2.800 1.000 1.000 peak 3958 spectrum 1 weight 0.11000E+01 volume 0.77355E-03 ppm1 1.544 ppm2 4.637 CV 1 ASSI { 3965} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HB )) 2.800 1.000 0.500 peak 3965 spectrum 1 weight 0.11000E+01 volume 0.21855E-01 ppm1 1.232 ppm2 4.500 CV 1 ASSI { 3966} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HA )) 2.800 1.000 0.600 peak 3966 spectrum 1 weight 0.11000E+01 volume 0.17725E-01 ppm1 1.229 ppm2 4.537 CV 1 ASSI { 3969} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB1 )) 2.800 1.000 0.700 peak 3969 spectrum 1 weight 0.11000E+01 volume 0.10714E-01 ppm1 4.477 ppm2 4.243 CV 1 ASSI { 3972} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 109 and name HA2 )) 1.800 0.200 0.500 peak 3972 spectrum 1 weight 0.11000E+01 volume 0.11599E-01 ppm1 4.108 ppm2 4.258 CV 1 ASSI { 3973} (( segid " " and resid 109 and name HA2 )) (( segid " " and resid 110 and name HD1 )) 2.800 1.000 0.700 peak 3973 spectrum 1 weight 0.11000E+01 volume 0.41980E-02 ppm1 4.278 ppm2 3.631 CV 1 ASSI { 3974} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 110 and name HD1 )) 2.800 1.000 1.000 peak 3974 spectrum 1 weight 0.11000E+01 volume 0.41528E-02 ppm1 4.112 ppm2 3.623 CV 1 ASSI { 3975} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 110 and name HD2 )) 2.800 1.000 1.000 peak 3975 spectrum 1 weight 0.11000E+01 volume 0.46042E-02 ppm1 4.109 ppm2 3.771 CV 1 ASSI { 3983} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 3983 spectrum 1 weight 0.11000E+01 volume 0.23448E-02 ppm1 4.150 ppm2 3.899 CV 1 ASSI { 3984} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB1 )) 2.800 1.000 1.000 peak 3984 spectrum 1 weight 0.11000E+01 volume 0.18634E-02 ppm1 4.148 ppm2 3.772 CV 1 ASSI { 3986} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HG )) 2.800 1.000 1.000 peak 3986 spectrum 1 weight 0.11000E+01 volume 0.68104E-02 ppm1 0.593 ppm2 1.144 CV 1 ASSI { 3987} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB1 )) 2.800 1.000 1.000 peak 3987 spectrum 1 weight 0.11000E+01 volume 0.42203E-02 ppm1 0.594 ppm2 1.353 CV 1 ASSI { 3988} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 3988 spectrum 1 weight 0.11000E+01 volume 0.33692E-02 ppm1 0.594 ppm2 1.672 CV 1 ASSI { 3989} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HA )) 2.900 1.000 1.000 peak 3989 spectrum 1 weight 0.11000E+01 volume 0.86313E-02 ppm1 0.595 ppm2 4.365 CV 1 ASSI { 3991} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 28 and name HE% ) 5.000 1.000 1.000 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.33061E-02 ppm1 0.593 ppm2 7.050 CV 1 ASSI { 3994} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 3994 spectrum 1 weight 0.11000E+01 volume 0.77954E-02 ppm1 4.231 ppm2 0.789 CV 1 ASSI { 3997} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 103 and name HB )) 2.800 1.000 1.000 peak 3997 spectrum 1 weight 0.11000E+01 volume 0.83302E-02 ppm1 0.527 ppm2 1.103 CV 1 ASSI { 4005} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 2.800 1.000 1.000 peak 4005 spectrum 1 weight 0.11000E+01 volume 0.21837E-02 ppm1 5.285 ppm2 8.346 CV 1 ASSI { 4006} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HG1 )) 1.800 0.200 0.500 peak 4006 spectrum 1 weight 0.11000E+01 volume 0.45249E-02 ppm1 1.428 ppm2 1.194 CV 1 ASSI { 4008} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HB1 )) 2.800 1.000 1.000 peak 4008 spectrum 1 weight 0.11000E+01 volume 0.13763E-02 ppm1 1.190 ppm2 1.852 CV 1 ASSI { 4016} (( segid " " and resid 97 and name HD1 )) (( segid " " and resid 97 and name HG1 )) 2.800 1.000 1.000 peak 4016 spectrum 1 weight 0.11000E+01 volume 0.14464E-02 ppm1 1.504 ppm2 1.182 CV 1 ASSI { 4017} (( segid " " and resid 97 and name HD1 )) (( segid " " and resid 97 and name HB1 )) 2.800 1.000 1.300 peak 4017 spectrum 1 weight 0.11000E+01 volume 0.17853E-02 ppm1 1.489 ppm2 1.845 CV 1 ASSI { 4018} (( segid " " and resid 97 and name HD2 )) (( segid " " and resid 97 and name HE1 )) 2.800 1.000 1.000 peak 4018 spectrum 1 weight 0.11000E+01 volume 0.40086E-02 ppm1 1.587 ppm2 2.796 CV 1 ASSI { 4020} (( segid " " and resid 97 and name HE2 )) (( segid " " and resid 97 and name HB1 )) 3.000 1.000 1.500 peak 4020 spectrum 1 weight 0.11000E+01 volume 0.41064E-02 ppm1 2.803 ppm2 1.852 CV 1 ASSI { 4026} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.900 1.000 1.000 peak 4026 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 4.585 ppm2 8.233 CV 1 ASSI { 4027} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG )) 2.900 1.000 1.000 peak 4027 spectrum 1 weight 0.11000E+01 volume 0.12467E-02 ppm1 4.594 ppm2 1.319 CV 1 ASSI { 4028} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.800 1.000 1.000 peak 4028 spectrum 1 weight 0.11000E+01 volume 0.30203E-02 ppm1 4.598 ppm2 0.969 CV 1 ASSI { 4037} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG )) 3.000 1.000 1.000 peak 4037 spectrum 1 weight 0.11000E+01 volume 0.13354E-02 ppm1 1.589 ppm2 1.300 CV 1 ASSI { 4040} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG )) 2.900 1.000 1.000 peak 4040 spectrum 1 weight 0.11000E+01 volume 0.13757E-02 ppm1 0.938 ppm2 1.309 CV 1 ASSI { 4042} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.900 1.000 1.000 peak 4042 spectrum 1 weight 0.11000E+01 volume 0.14227E-02 ppm1 1.592 ppm2 4.572 CV 1 ASSI { 4049} ( segid " " and resid 71 and name HD2%) ( segid " " and resid 71 and name HD1%) 2.800 1.000 0.700 peak 4049 spectrum 1 weight 0.11000E+01 volume 0.97643E-02 ppm1 0.584 ppm2 0.477 CV 1 ASSI { 4050} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HB1 )) 2.800 1.000 1.000 peak 4050 spectrum 1 weight 0.11000E+01 volume 0.59528E-02 ppm1 0.585 ppm2 0.965 CV 1 ASSI { 4051} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HG )) 2.800 1.000 0.700 peak 4051 spectrum 1 weight 0.11000E+01 volume 0.52506E-02 ppm1 0.583 ppm2 1.302 CV 1 ASSI { 4052} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 4052 spectrum 1 weight 0.11000E+01 volume 0.40027E-02 ppm1 0.583 ppm2 1.613 CV 1 ASSI { 4053} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HG )) 2.800 1.000 0.700 peak 4053 spectrum 1 weight 0.11000E+01 volume 0.52741E-02 ppm1 0.484 ppm2 1.297 CV 1 ASSI { 4054} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HB1 )) 2.800 1.000 1.000 peak 4054 spectrum 1 weight 0.11000E+01 volume 0.36576E-02 ppm1 0.490 ppm2 0.933 CV 1 ASSI { 4055} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HB2 )) 3.000 1.000 1.000 peak 4055 spectrum 1 weight 0.11000E+01 volume 0.24995E-02 ppm1 0.486 ppm2 1.591 CV 1 ASSI { 4056} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HA )) 3.000 1.000 1.000 peak 4056 spectrum 1 weight 0.11000E+01 volume 0.88932E-03 ppm1 0.494 ppm2 4.579 CV 1 ASSI { 4060} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 8 and name HB )) 4.200 1.000 1.500 peak 4060 spectrum 1 weight 0.11000E+01 volume 0.88774E-03 ppm1 0.486 ppm2 2.083 CV 1 ASSI { 4063} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 7 and name HA )) 3.300 1.000 1.500 peak 4063 spectrum 1 weight 0.11000E+01 volume 0.10218E-02 ppm1 0.487 ppm2 5.264 CV 1 ASSI { 4064} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 8 and name HB )) 5.100 1.500 0.900 peak 4064 spectrum 1 weight 0.11000E+01 volume 0.10450E-02 ppm1 0.588 ppm2 2.088 CV 1 ASSI { 4065} ( segid " " and resid 71 and name HD2%) ( segid " " and resid 72 and name HB% ) 5.000 1.000 1.000 peak 4065 spectrum 1 weight 0.11000E+01 volume 0.98824E-03 ppm1 0.586 ppm2 3.755 CV 1 ASSI { 4066} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 8 and name HB )) 3.500 1.000 2.000 peak 4066 spectrum 1 weight 0.11000E+01 volume 0.10484E-02 ppm1 1.583 ppm2 2.089 CV 1 ASSI { 4070} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB )) 2.800 1.000 1.000 peak 4070 spectrum 1 weight 0.11000E+01 volume 0.38697E-02 ppm1 4.066 ppm2 1.797 CV 1 ASSI { 4073} (( segid " " and resid 74 and name HB )) ( segid " " and resid 74 and name HG1%) 2.800 1.000 1.000 peak 4073 spectrum 1 weight 0.11000E+01 volume 0.11798E-01 ppm1 1.805 ppm2 0.701 CV 1 ASSI { 4077} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 75 and name HB2 )) 4.400 1.500 1.500 peak 4077 spectrum 1 weight 0.11000E+01 volume 0.37569E-02 ppm1 0.705 ppm2 2.735 CV 1 ASSI { 4078} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 74 and name HB )) 1.800 0.200 0.400 peak 4078 spectrum 1 weight 0.11000E+01 volume 0.31190E-01 ppm1 0.703 ppm2 1.796 CV 1 ASSI { 4081} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 4081 spectrum 1 weight 0.11000E+01 volume 0.27287E-02 ppm1 4.638 ppm2 3.048 CV 1 ASSI { 4087} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) 2.800 1.000 1.000 peak 4087 spectrum 1 weight 0.11000E+01 volume 0.67599E-02 ppm1 4.485 ppm2 1.642 CV 1 ASSI { 4089} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG1 )) 2.800 1.000 1.000 peak 4089 spectrum 1 weight 0.11000E+01 volume 0.28405E-02 ppm1 4.483 ppm2 1.318 CV 1 ASSI { 4091} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 4091 spectrum 1 weight 0.11000E+01 volume 0.26260E-02 ppm1 4.477 ppm2 1.822 CV 1 ASSI { 4098} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HB2 )) 1.800 0.200 0.600 peak 4098 spectrum 1 weight 0.11000E+01 volume 0.99676E-02 ppm1 1.645 ppm2 1.824 CV 1 ASSI { 4111} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 71 and name HN )) 4.400 1.000 1.000 peak 4111 spectrum 1 weight 0.11000E+01 volume 0.11948E-02 ppm1 1.402 ppm2 8.223 CV 1 ASSI { 4113} (( segid " " and resid 105 and name HG1 )) (( segid " " and resid 107 and name HN )) 3.400 1.000 1.000 peak 4113 spectrum 1 weight 0.11000E+01 volume 0.13541E-02 ppm1 1.328 ppm2 8.216 CV 1 ASSI { 4118} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 0.800 peak 4118 spectrum 1 weight 0.11000E+01 volume 0.37824E-02 ppm1 4.895 ppm2 2.078 CV 1 ASSI { 4119} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 4119 spectrum 1 weight 0.11000E+01 volume 0.38808E-02 ppm1 4.901 ppm2 1.883 CV 1 ASSI { 4122} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HA )) 2.800 1.000 1.000 peak 4122 spectrum 1 weight 0.11000E+01 volume 0.20377E-02 ppm1 2.080 ppm2 4.882 CV 1 ASSI { 4123} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HG2 )) 1.800 0.200 0.500 peak 4123 spectrum 1 weight 0.11000E+01 volume 0.13262E-01 ppm1 2.079 ppm2 2.212 CV 1 ASSI { 4127} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 104 and name HN )) 4.200 1.000 1.000 peak 4127 spectrum 1 weight 0.11000E+01 volume 0.13546E-02 ppm1 0.527 ppm2 9.160 CV 1 ASSI { 4130} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 102 and name HA )) 3.500 1.000 1.000 peak 4130 spectrum 1 weight 0.11000E+01 volume 0.32884E-02 ppm1 0.526 ppm2 5.316 CV 1 ASSI { 4132} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 77 and name HB )) 4.600 1.000 1.000 peak 4132 spectrum 1 weight 0.11000E+01 volume 0.11581E-02 ppm1 0.522 ppm2 1.984 CV 1 ASSI { 4133} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 77 and name HA )) 4.600 1.000 1.000 peak 4133 spectrum 1 weight 0.11000E+01 volume 0.12892E-02 ppm1 0.531 ppm2 4.338 CV 1 ASSI { 4136} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 134 and name HN )) 2.800 1.000 1.000 peak 4136 spectrum 1 weight 0.11000E+01 volume 0.21877E-02 ppm1 0.944 ppm2 8.438 CV 1 ASSI { 4137} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 103 and name HN )) 3.200 1.000 1.000 peak 4137 spectrum 1 weight 0.11000E+01 volume 0.18976E-02 ppm1 0.942 ppm2 8.316 CV 1 ASSI { 4138} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HA )) 3.700 1.000 1.000 peak 4138 spectrum 1 weight 0.11000E+01 volume 0.23347E-02 ppm1 0.949 ppm2 5.086 CV 1 ASSI { 4139} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HB )) 2.800 1.000 0.700 peak 4139 spectrum 1 weight 0.11000E+01 volume 0.43372E-02 ppm1 0.945 ppm2 4.015 CV 1 ASSI { 4140} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 4140 spectrum 1 weight 0.11000E+01 volume 0.21146E-02 ppm1 0.951 ppm2 2.791 CV 1 ASSI { 4141} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 102 and name HB1 )) 3.700 1.000 1.000 peak 4141 spectrum 1 weight 0.11000E+01 volume 0.22527E-02 ppm1 0.946 ppm2 2.320 CV 1 ASSI { 4142} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 134 and name HG )) 4.500 1.000 1.000 peak 4142 spectrum 1 weight 0.11000E+01 volume 0.18805E-02 ppm1 0.949 ppm2 1.517 CV 1 ASSI { 4143} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 134 and name HB1 )) 3.300 1.000 1.000 peak 4143 spectrum 1 weight 0.11000E+01 volume 0.27275E-02 ppm1 0.950 ppm2 1.358 CV 1 ASSI { 4144} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HN )) 2.800 1.000 1.000 peak 4144 spectrum 1 weight 0.11000E+01 volume 0.24490E-02 ppm1 4.203 ppm2 8.430 CV 1 ASSI { 4146} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 0.700 peak 4146 spectrum 1 weight 0.11000E+01 volume 0.54553E-02 ppm1 4.208 ppm2 1.381 CV 1 ASSI { 4152} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG )) 2.800 1.000 1.000 peak 4152 spectrum 1 weight 0.11000E+01 volume 0.17507E-02 ppm1 1.356 ppm2 1.530 CV 1 ASSI { 4157} (( segid " " and resid 134 and name HB2 )) ( segid " " and resid 134 and name HD2%) 2.800 1.000 1.000 peak 4157 spectrum 1 weight 0.11000E+01 volume 0.20786E-02 ppm1 1.379 ppm2 0.862 CV 1 ASSI { 4158} (( segid " " and resid 134 and name HB2 )) ( segid " " and resid 134 and name HD1%) 2.800 1.000 1.000 peak 4158 spectrum 1 weight 0.11000E+01 volume 0.24077E-02 ppm1 1.376 ppm2 0.683 CV 1 ASSI { 4159} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 4159 spectrum 1 weight 0.11000E+01 volume 0.13185E-02 ppm1 1.393 ppm2 4.202 CV 1 ASSI { 4164} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 134 and name HD1%) 2.800 1.000 1.000 peak 4164 spectrum 1 weight 0.11000E+01 volume 0.64920E-02 ppm1 -0.113 ppm2 0.689 CV 1 ASSI { 4165} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 134 and name HG )) 4.500 1.000 1.000 peak 4165 spectrum 1 weight 0.11000E+01 volume 0.17307E-02 ppm1 -0.110 ppm2 1.533 CV 1 ASSI { 4168} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 1.000 peak 4168 spectrum 1 weight 0.11000E+01 volume 0.34024E-02 ppm1 0.684 ppm2 1.357 CV 1 ASSI { 4169} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HG )) 2.900 1.000 1.000 peak 4169 spectrum 1 weight 0.11000E+01 volume 0.17211E-02 ppm1 0.681 ppm2 1.519 CV 1 ASSI { 4171} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 4171 spectrum 1 weight 0.11000E+01 volume 0.11695E-01 ppm1 0.860 ppm2 4.201 CV 1 ASSI { 4172} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HG )) 2.800 1.000 0.600 peak 4172 spectrum 1 weight 0.11000E+01 volume 0.93881E-02 ppm1 0.860 ppm2 1.529 CV 1 ASSI { 4173} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 0.800 peak 4173 spectrum 1 weight 0.11000E+01 volume 0.82818E-02 ppm1 0.860 ppm2 1.361 CV 1 ASSI { 4174} ( segid " " and resid 134 and name HD2%) ( segid " " and resid 19 and name HD1%) 3.700 1.000 1.000 peak 4174 spectrum 1 weight 0.11000E+01 volume 0.32576E-02 ppm1 0.863 ppm2 -0.107 CV 1 ASSI { 4175} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 4175 spectrum 1 weight 0.11000E+01 volume 0.22488E-02 ppm1 3.713 ppm2 2.738 CV 1 ASSI { 4176} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) 2.800 1.000 1.000 peak 4176 spectrum 1 weight 0.11000E+01 volume 0.14199E-02 ppm1 3.709 ppm2 2.138 CV 1 ASSI { 4183} (( segid " " and resid 39 and name HD1 )) (( segid " " and resid 39 and name HG1 )) 2.800 1.000 1.000 peak 4183 spectrum 1 weight 0.11000E+01 volume 0.30347E-02 ppm1 3.024 ppm2 1.343 CV 1 ASSI { 4186} (( segid " " and resid 56 and name HA )) (( segid " " and resid 64 and name HN )) 3.200 1.000 1.500 peak 4186 spectrum 1 weight 0.11000E+01 volume 0.16837E-02 ppm1 5.077 ppm2 8.779 CV 1 ASSI { 4189} (( segid " " and resid 9 and name HA )) (( segid " " and resid 17 and name HN )) 3.900 1.000 1.100 peak 4189 spectrum 1 weight 0.11000E+01 volume 0.13535E-02 ppm1 5.416 ppm2 9.079 CV 1 ASSI { 4195} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HG1 )) 3.100 1.000 1.500 peak 4195 spectrum 1 weight 0.11000E+01 volume 0.37810E-02 ppm1 4.023 ppm2 2.196 CV 1 ASSI { 4197} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.800 1.000 0.700 peak 4197 spectrum 1 weight 0.11000E+01 volume 0.77655E-02 ppm1 4.018 ppm2 1.956 CV 1 ASSI { 4201} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG1 )) 2.800 1.000 1.000 peak 4201 spectrum 1 weight 0.11000E+01 volume 0.31519E-02 ppm1 3.960 ppm2 2.108 CV 1 ASSI { 4202} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB2 )) 2.800 1.000 0.700 peak 4202 spectrum 1 weight 0.11000E+01 volume 0.55164E-02 ppm1 3.958 ppm2 1.989 CV 1 ASSI { 4212} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HB2 )) 1.800 0.200 0.400 peak 4212 spectrum 1 weight 0.11000E+01 volume 0.58638E-02 ppm1 1.682 ppm2 1.983 CV 1 ASSI { 4216} (( segid " " and resid 121 and name HG1 )) (( segid " " and resid 121 and name HB1 )) 2.800 1.000 0.800 peak 4216 spectrum 1 weight 0.11000E+01 volume 0.63563E-02 ppm1 2.096 ppm2 1.665 CV 1 ASSI { 4217} (( segid " " and resid 121 and name HG2 )) ( segid " " and resid 119 and name HG1%) 3.400 1.000 1.000 peak 4217 spectrum 1 weight 0.11000E+01 volume 0.13970E-02 ppm1 2.230 ppm2 0.734 CV 1 ASSI { 4220} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HN )) 2.800 1.000 1.000 peak 4220 spectrum 1 weight 0.11000E+01 volume 0.18094E-02 ppm1 3.565 ppm2 9.140 CV 1 ASSI { 4223} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 2.800 1.000 1.000 peak 4223 spectrum 1 weight 0.11000E+01 volume 0.25861E-02 ppm1 3.579 ppm2 5.268 CV 1 ASSI { 4227} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 2.800 1.000 1.000 peak 4227 spectrum 1 weight 0.11000E+01 volume 0.30638E-02 ppm1 5.267 ppm2 3.542 CV 1 ASSI { 4230} (( segid " " and resid 131 and name HA )) (( segid " " and resid 103 and name HN )) 2.800 1.000 1.000 peak 4230 spectrum 1 weight 0.11000E+01 volume 0.39927E-02 ppm1 5.325 ppm2 8.309 CV 1 ASSI { 4239} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HG12)) 1.800 0.200 0.700 peak 4239 spectrum 1 weight 0.11000E+01 volume 0.15546E-01 ppm1 1.251 ppm2 1.430 CV 1 ASSI { 4245} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD1%) 4.000 1.000 1.000 peak 4245 spectrum 1 weight 0.11000E+01 volume 0.23782E-02 ppm1 4.623 ppm2 0.594 CV 1 ASSI { 4246} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HD1%) 2.800 1.000 0.700 peak 4246 spectrum 1 weight 0.11000E+01 volume 0.56503E-02 ppm1 1.483 ppm2 0.577 CV 1 ASSI { 4249} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 3.000 1.000 1.000 peak 4249 spectrum 1 weight 0.11000E+01 volume 0.24057E-02 ppm1 0.624 ppm2 1.473 CV 1 ASSI { 4251} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.000 1.000 1.000 peak 4251 spectrum 1 weight 0.11000E+01 volume 0.17712E-02 ppm1 0.594 ppm2 9.457 CV 1 ASSI { 4268} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB )) 4.800 1.000 1.000 peak 4268 spectrum 1 weight 0.11000E+01 volume 0.17797E-02 ppm1 0.620 ppm2 1.723 CV 1 ASSI { 4271} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HG2 )) 2.800 1.000 1.000 peak 4271 spectrum 1 weight 0.11000E+01 volume 0.20890E-02 ppm1 2.149 ppm2 2.418 CV 1 ASSI { 4272} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HG2 )) 1.800 0.200 0.400 peak 4272 spectrum 1 weight 0.11000E+01 volume 0.47939E-02 ppm1 2.149 ppm2 2.421 CV 1 ASSI { 4274} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HN )) 2.900 1.000 1.000 peak 4274 spectrum 1 weight 0.11000E+01 volume 0.10720E-02 ppm1 2.176 ppm2 9.054 CV 1 ASSI { 4276} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HE22)) 2.900 1.000 1.000 peak 4276 spectrum 1 weight 0.11000E+01 volume 0.11347E-02 ppm1 2.137 ppm2 7.633 CV 1 ASSI { 4281} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HE21)) 2.900 1.000 1.000 peak 4281 spectrum 1 weight 0.11000E+01 volume 0.11103E-02 ppm1 2.456 ppm2 6.986 CV 1 ASSI { 4282} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HE21)) 3.100 1.000 1.000 peak 4282 spectrum 1 weight 0.11000E+01 volume 0.14060E-02 ppm1 2.154 ppm2 6.980 CV 1 ASSI { 4294} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 4294 spectrum 1 weight 0.11000E+01 volume 0.40476E-02 ppm1 3.765 ppm2 5.009 CV 1 ASSI { 4296} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) 3.700 1.000 1.000 peak 4296 spectrum 1 weight 0.11000E+01 volume 0.36053E-02 ppm1 3.742 ppm2 8.898 CV 1 ASSI { 4297} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 74 and name HG2%) 3.700 1.000 2.300 peak 4297 spectrum 1 weight 0.11000E+01 volume 0.27578E-02 ppm1 3.760 ppm2 0.704 CV 1 ASSI { 4302} (( segid " " and resid 73 and name HA )) ( segid " " and resid 74 and name HG1%) 4.600 1.000 1.000 peak 4302 spectrum 1 weight 0.11000E+01 volume 0.12470E-02 ppm1 4.838 ppm2 0.691 CV 1 ASSI { 4305} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.800 0.200 0.500 peak 4305 spectrum 1 weight 0.11000E+01 volume 0.28118E-02 ppm1 2.571 ppm2 3.070 CV 1 ASSI { 4310} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 4310 spectrum 1 weight 0.11000E+01 volume 0.55637E-02 ppm1 0.790 ppm2 8.337 CV 1 ASSI { 4312} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 91 and name HB1 )) 4.000 1.000 1.000 peak 4312 spectrum 1 weight 0.11000E+01 volume 0.90665E-03 ppm1 1.347 ppm2 2.472 CV 1 ASSI { 4313} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 89 and name HB2 )) 4.800 1.000 1.000 peak 4313 spectrum 1 weight 0.11000E+01 volume 0.12058E-02 ppm1 1.347 ppm2 2.246 CV 1 ASSI { 4314} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 89 and name HG2 )) 4.900 1.500 1.000 peak 4314 spectrum 1 weight 0.11000E+01 volume 0.95138E-03 ppm1 1.350 ppm2 2.108 CV 1 ASSI { 4317} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 89 and name HB1 )) 4.800 1.000 1.000 peak 4317 spectrum 1 weight 0.11000E+01 volume 0.96172E-03 ppm1 1.353 ppm2 1.781 CV 1 ASSI { 4318} ( segid " " and resid 90 and name HB% ) (( segid " " and resid 89 and name HG1 )) 4.000 1.000 1.000 peak 4318 spectrum 1 weight 0.11000E+01 volume 0.10661E-02 ppm1 1.344 ppm2 1.989 CV 1 ASSI { 4323} (( segid " " and resid 116 and name HA )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 4323 spectrum 1 weight 0.11000E+01 volume 0.11517E-02 ppm1 4.260 ppm2 5.450 CV 1 ASSI { 4324} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HG )) 3.300 1.000 1.000 peak 4324 spectrum 1 weight 0.11000E+01 volume 0.17498E-02 ppm1 4.269 ppm2 0.904 CV 1 ASSI { 4325} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HD2%) 3.100 1.000 1.000 peak 4325 spectrum 1 weight 0.11000E+01 volume 0.11168E-02 ppm1 4.264 ppm2 0.570 CV 1 ASSI { 4328} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HN )) 2.800 1.000 1.000 peak 4328 spectrum 1 weight 0.11000E+01 volume 0.10229E-02 ppm1 1.932 ppm2 8.728 CV 1 ASSI { 4332} ( segid " " and resid 116 and name HD1%) ( segid " " and resid 116 and name HD2%) 2.800 1.000 0.700 peak 4332 spectrum 1 weight 0.11000E+01 volume 0.11099E-01 ppm1 -0.008 ppm2 0.538 CV 1 ASSI { 4333} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HG )) 2.800 1.000 0.600 peak 4333 spectrum 1 weight 0.11000E+01 volume 0.11841E-01 ppm1 -0.009 ppm2 0.903 CV 1 ASSI { 4334} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 4334 spectrum 1 weight 0.11000E+01 volume 0.47816E-02 ppm1 -0.012 ppm2 4.249 CV 1 ASSI { 4335} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 117 and name HN )) 2.800 1.000 1.000 peak 4335 spectrum 1 weight 0.11000E+01 volume 0.39431E-02 ppm1 -0.012 ppm2 9.142 CV 1 ASSI { 4342} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 4342 spectrum 1 weight 0.11000E+01 volume 0.12070E-02 ppm1 4.567 ppm2 2.871 CV 1 ASSI { 4344} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.900 1.000 1.000 peak 4344 spectrum 1 weight 0.11000E+01 volume 0.14469E-02 ppm1 2.867 ppm2 9.078 CV 1 ASSI { 4345} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) 4.000 1.000 1.000 peak 4345 spectrum 1 weight 0.11000E+01 volume 0.12054E-02 ppm1 2.660 ppm2 8.523 CV 1 ASSI { 4346} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 124 and name HB1 )) 3.300 1.500 1.700 peak 4346 spectrum 1 weight 0.11000E+01 volume 0.19101E-02 ppm1 2.050 ppm2 1.569 CV 1 ASSI { 4347} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB1 )) 2.800 1.000 1.000 peak 4347 spectrum 1 weight 0.11000E+01 volume 0.63303E-03 ppm1 5.382 ppm2 3.565 CV 1 ASSI { 4350} (( segid " " and resid 98 and name HA )) (( segid " " and resid 126 and name HB2 )) 2.900 1.300 1.300 peak 4350 spectrum 1 weight 0.11000E+01 volume 0.16171E-02 ppm1 5.369 ppm2 1.927 CV 1 ASSI { 4353} (( segid " " and resid 98 and name HA )) ( segid " " and resid 99 and name HG1%) 3.800 1.000 1.000 peak 4353 spectrum 1 weight 0.11000E+01 volume 0.69594E-03 ppm1 5.380 ppm2 0.627 CV 1 ASSI { 4354} (( segid " " and resid 98 and name HA )) ( segid " " and resid 125 and name HG2%) 4.700 1.000 1.000 peak 4354 spectrum 1 weight 0.11000E+01 volume 0.83971E-03 ppm1 5.359 ppm2 0.239 CV 1 ASSI { 4355} (( segid " " and resid 98 and name HA )) ( segid " " and resid 128 and name HE% ) 4.000 1.000 1.000 peak 4355 spectrum 1 weight 0.11000E+01 volume 0.60818E-03 ppm1 5.390 ppm2 7.002 CV 1 ASSI { 4358} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 3.500 0.900 0.900 peak 4358 spectrum 1 weight 0.11000E+01 volume 0.12295E-02 ppm1 4.012 ppm2 8.197 CV 1 ASSI { 4368} (( segid " " and resid 30 and name HG11)) ( segid " " and resid 30 and name HD1%) 2.800 0.900 0.900 peak 4368 spectrum 1 weight 0.11000E+01 volume 0.25547E-02 ppm1 0.899 ppm2 0.577 CV 1 ASSI { 4370} (( segid " " and resid 30 and name HG11)) (( segid " " and resid 30 and name HB )) 2.800 1.100 1.100 peak 4370 spectrum 1 weight 0.11000E+01 volume 0.12574E-02 ppm1 0.907 ppm2 1.715 CV 1 ASSI { 4373} (( segid " " and resid 30 and name HG11)) (( segid " " and resid 30 and name HA )) 3.700 1.000 1.000 peak 4373 spectrum 1 weight 0.11000E+01 volume 0.10160E-02 ppm1 0.908 ppm2 4.243 CV 1 ASSI { 4377} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 4377 spectrum 1 weight 0.11000E+01 volume 0.33102E-02 ppm1 4.340 ppm2 3.119 CV 1 ASSI { 4382} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HA )) 2.800 1.100 1.100 peak 4382 spectrum 1 weight 0.11000E+01 volume 0.18156E-02 ppm1 2.624 ppm2 4.343 CV 1 ASSI { 4383} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 136 and name HA )) 3.400 1.000 1.000 peak 4383 spectrum 1 weight 0.11000E+01 volume 0.12643E-02 ppm1 2.631 ppm2 4.788 CV 1 ASSI { 4384} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 136 and name HA )) 4.400 1.000 1.000 peak 4384 spectrum 1 weight 0.11000E+01 volume 0.15498E-02 ppm1 3.136 ppm2 4.787 CV 1 ASSI { 4386} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HA )) 4.300 1.000 1.000 peak 4386 spectrum 1 weight 0.11000E+01 volume 0.13199E-02 ppm1 4.451 ppm2 4.033 CV 1 ASSI { 4392} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HN )) 2.800 1.000 1.000 peak 4392 spectrum 1 weight 0.11000E+01 volume 0.12055E-02 ppm1 1.659 ppm2 6.886 CV 1 ASSI { 4393} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HE1 )) 3.500 1.500 1.500 peak 4393 spectrum 1 weight 0.11000E+01 volume 0.10248E-02 ppm1 1.759 ppm2 2.807 CV 1 ASSI { 4398} (( segid " " and resid 105 and name HA )) ( segid " " and resid 108 and name HB% ) 4.000 1.000 1.000 peak 4398 spectrum 1 weight 0.11000E+01 volume 0.17316E-02 ppm1 4.457 ppm2 1.525 CV 1 ASSI { 4416} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HB1 )) 4.800 1.000 1.000 peak 4416 spectrum 1 weight 0.11000E+01 volume 0.10349E-02 ppm1 4.212 ppm2 2.622 CV 1 ASSI { 4419} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 129 and name HB1 )) 4.000 1.500 1.500 peak 4419 spectrum 1 weight 0.11000E+01 volume 0.23141E-02 ppm1 0.525 ppm2 3.524 CV 1 ASSI { 4420} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 101 and name HB1 )) 4.000 1.500 1.500 peak 4420 spectrum 1 weight 0.11000E+01 volume 0.18683E-02 ppm1 0.526 ppm2 3.498 CV 1 ASSI { 4422} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 103 and name HB )) 2.800 1.000 1.000 peak 4422 spectrum 1 weight 0.11000E+01 volume 0.94338E-02 ppm1 0.529 ppm2 1.117 CV 1 ASSI { 4424} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 135 and name HB% ) 4.400 1.500 1.500 peak 4424 spectrum 1 weight 0.11000E+01 volume 0.47076E-02 ppm1 0.526 ppm2 1.054 CV 1 ASSI { 4426} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 103 and name HG2%) 1.800 0.200 0.400 peak 4426 spectrum 1 weight 0.11000E+01 volume 0.28767E-01 ppm1 0.531 ppm2 0.766 CV 1 ASSI { 4431} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HN )) 4.800 1.000 1.000 peak 4431 spectrum 1 weight 0.11000E+01 volume 0.97534E-03 ppm1 4.466 ppm2 7.701 CV 1 ASSI { 4435} (( segid " " and resid 13 and name HA )) ( segid " " and resid 12 and name HB% ) 4.800 1.000 1.000 peak 4435 spectrum 1 weight 0.11000E+01 volume 0.14346E-02 ppm1 4.473 ppm2 1.453 CV 1 ASSI { 4438} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 10 and name HD22)) 4.300 1.500 1.500 peak 4438 spectrum 1 weight 0.11000E+01 volume 0.22870E-02 ppm1 1.088 ppm2 9.537 CV 1 ASSI { 4439} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 10 and name HD21)) 4.800 1.600 1.000 peak 4439 spectrum 1 weight 0.11000E+01 volume 0.46006E-02 ppm1 1.082 ppm2 7.194 CV 1 ASSI { 4441} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HB )) 2.800 1.000 1.000 peak 4441 spectrum 1 weight 0.11000E+01 volume 0.11374E-01 ppm1 1.088 ppm2 4.315 CV 1 ASSI { 4443} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 10 and name HB2 )) 5.300 1.000 0.700 peak 4443 spectrum 1 weight 0.11000E+01 volume 0.11642E-02 ppm1 1.091 ppm2 3.192 CV 1 ASSI { 4448} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HG12)) 4.200 1.000 1.000 peak 4448 spectrum 1 weight 0.11000E+01 volume 0.73168E-03 ppm1 5.078 ppm2 1.253 CV 1 ASSI { 4451} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 38 and name HN )) 4.200 1.500 1.500 peak 4451 spectrum 1 weight 0.11000E+01 volume 0.44685E-02 ppm1 1.008 ppm2 9.469 CV 1 ASSI { 4452} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 39 and name HN )) 3.800 1.500 1.500 peak 4452 spectrum 1 weight 0.11000E+01 volume 0.20838E-02 ppm1 1.015 ppm2 8.884 CV 1 ASSI { 4455} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 29 and name HA )) 4.000 1.000 1.000 peak 4455 spectrum 1 weight 0.11000E+01 volume 0.14317E-02 ppm1 0.630 ppm2 5.080 CV 1 ASSI { 4459} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.800 1.000 1.000 peak 4459 spectrum 1 weight 0.11000E+01 volume 0.10364E-02 ppm1 5.204 ppm2 2.790 CV 1 ASSI { 4463} (( segid " " and resid 39 and name HD1 )) ( segid " " and resid 29 and name HG2%) 3.600 1.000 1.000 peak 4463 spectrum 1 weight 0.11000E+01 volume 0.18837E-02 ppm1 3.032 ppm2 1.007 CV 1 ASSI { 4475} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 4475 spectrum 1 weight 0.11000E+01 volume 0.22849E-01 ppm1 1.477 ppm2 4.220 CV 1 ASSI { 4476} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HD1 )) 4.200 1.000 1.000 peak 4476 spectrum 1 weight 0.11000E+01 volume 0.11509E-02 ppm1 1.474 ppm2 3.782 CV 1 ASSI { 4477} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB2 )) 4.800 1.000 1.000 peak 4477 spectrum 1 weight 0.11000E+01 volume 0.10660E-02 ppm1 1.474 ppm2 2.318 CV 1 ASSI { 4479} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HG2 )) 4.500 1.500 1.500 peak 4479 spectrum 1 weight 0.11000E+01 volume 0.17510E-02 ppm1 1.474 ppm2 2.089 CV 1 ASSI { 4481} (( segid " " and resid 16 and name HA )) ( segid " " and resid 17 and name HD% ) 4.800 1.000 1.000 peak 4481 spectrum 1 weight 0.11000E+01 volume 0.11532E-02 ppm1 3.955 ppm2 7.347 CV 1 ASSI { 4484} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB )) 3.000 1.100 1.100 peak 4484 spectrum 1 weight 0.11000E+01 volume 0.19400E-02 ppm1 3.935 ppm2 1.489 CV 1 ASSI { 4493} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HB )) 4.700 1.000 1.300 peak 4493 spectrum 1 weight 0.11000E+01 volume 0.10148E-01 ppm1 0.711 ppm2 3.724 CV 1 ASSI { 4495} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 78 and name HD2%) 4.200 1.000 1.000 peak 4495 spectrum 1 weight 0.11000E+01 volume 0.12947E-02 ppm1 0.727 ppm2 0.369 CV 1 ASSI { 4501} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 18 and name HB2 )) 4.200 1.000 1.000 peak 4501 spectrum 1 weight 0.11000E+01 volume 0.13759E-02 ppm1 0.511 ppm2 2.906 CV 1 ASSI { 4522} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 71 and name HD1%) 4.000 1.500 1.500 peak 4522 spectrum 1 weight 0.11000E+01 volume 0.53272E-03 ppm1 1.268 ppm2 0.477 CV 1 ASSI { 4523} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 78 and name HD1%) 5.000 1.000 1.000 peak 4523 spectrum 1 weight 0.11000E+01 volume 0.18700E-02 ppm1 1.267 ppm2 0.002 CV 1 ASSI { 4524} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 3.000 1.000 1.000 peak 4524 spectrum 1 weight 0.11000E+01 volume 0.16022E-02 ppm1 4.894 ppm2 8.549 CV 1 ASSI { 4527} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) 2.800 1.000 1.000 peak 4527 spectrum 1 weight 0.11000E+01 volume 0.33246E-02 ppm1 4.892 ppm2 2.895 CV 1 ASSI { 4531} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 19 and name HN )) 4.800 1.000 1.000 peak 4531 spectrum 1 weight 0.11000E+01 volume 0.12858E-02 ppm1 2.901 ppm2 7.985 CV 1 ASSI { 4539} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 4539 spectrum 1 weight 0.11000E+01 volume 0.27589E-02 ppm1 4.487 ppm2 8.077 CV 1 ASSI { 4541} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HD2 )) 3.900 1.500 1.500 peak 4541 spectrum 1 weight 0.11000E+01 volume 0.13298E-02 ppm1 4.493 ppm2 2.805 CV 1 ASSI { 4544} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HG1 )) 2.800 1.200 1.200 peak 4544 spectrum 1 weight 0.11000E+01 volume 0.28150E-02 ppm1 1.830 ppm2 1.312 CV 1 ASSI { 4560} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.800 1.000 1.000 peak 4560 spectrum 1 weight 0.11000E+01 volume 0.38908E-02 ppm1 4.537 ppm2 1.536 CV 1 ASSI { 4561} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 116 and name HN )) 4.200 1.000 1.000 peak 4561 spectrum 1 weight 0.11000E+01 volume 0.16984E-02 ppm1 1.538 ppm2 8.738 CV 1 ASSI { 4571} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HA )) 2.900 1.000 1.000 peak 4571 spectrum 1 weight 0.11000E+01 volume 0.25049E-02 ppm1 1.449 ppm2 4.203 CV 1 ASSI { 4575} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 89 and name HA )) 3.700 1.000 1.000 peak 4575 spectrum 1 weight 0.11000E+01 volume 0.58722E-02 ppm1 0.723 ppm2 4.050 CV 1 ASSI { 4576} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 87 and name HB2 )) 3.300 1.000 1.000 peak 4576 spectrum 1 weight 0.11000E+01 volume 0.39275E-02 ppm1 0.726 ppm2 2.385 CV 1 ASSI { 4577} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 87 and name HB1 )) 3.300 1.000 1.000 peak 4577 spectrum 1 weight 0.11000E+01 volume 0.49313E-02 ppm1 0.725 ppm2 1.730 CV 1 ASSI { 4580} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 87 and name HG2 )) 4.500 1.000 1.000 peak 4580 spectrum 1 weight 0.11000E+01 volume 0.17699E-02 ppm1 0.725 ppm2 2.134 CV 1 ASSI { 4582} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG )) 3.800 1.200 1.200 peak 4582 spectrum 1 weight 0.11000E+01 volume 0.59681E-02 ppm1 4.223 ppm2 1.585 CV 1 ASSI { 4585} (( segid " " and resid 92 and name HB2 )) ( segid " " and resid 92 and name HD1%) 2.800 1.000 1.000 peak 4585 spectrum 1 weight 0.11000E+01 volume 0.49934E-02 ppm1 1.506 ppm2 0.725 CV 1 ASSI { 4586} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 87 and name HA )) 5.500 1.100 0.500 peak 4586 spectrum 1 weight 0.11000E+01 volume 0.14316E-02 ppm1 0.723 ppm2 4.486 CV 1 ASSI { 4588} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 91 and name HA )) 4.700 1.000 1.000 peak 4588 spectrum 1 weight 0.11000E+01 volume 0.88250E-03 ppm1 0.727 ppm2 4.356 CV 1 ASSI { 4590} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HD2%) 2.800 1.000 1.000 peak 4590 spectrum 1 weight 0.11000E+01 volume 0.10691E-01 ppm1 4.221 ppm2 0.794 CV 1 ASSI { 4592} (( segid " " and resid 92 and name HB2 )) ( segid " " and resid 92 and name HD2%) 2.800 1.000 1.000 peak 4592 spectrum 1 weight 0.11000E+01 volume 0.70850E-02 ppm1 1.512 ppm2 0.786 CV 1 ASSI { 4593} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 4593 spectrum 1 weight 0.11000E+01 volume 0.15455E-02 ppm1 4.325 ppm2 7.978 CV 1 ASSI { 4596} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG )) 3.800 1.000 1.000 peak 4596 spectrum 1 weight 0.11000E+01 volume 0.20461E-02 ppm1 4.322 ppm2 0.864 CV 1 ASSI { 4597} (( segid " " and resid 19 and name HA )) ( segid " " and resid 134 and name HD1%) 3.000 1.000 1.000 peak 4597 spectrum 1 weight 0.11000E+01 volume 0.17113E-02 ppm1 4.328 ppm2 0.692 CV 1 ASSI { 4612} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 4612 spectrum 1 weight 0.11000E+01 volume 0.37417E-02 ppm1 4.320 ppm2 1.250 CV 1 ASSI { 4613} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 4613 spectrum 1 weight 0.11000E+01 volume 0.42878E-02 ppm1 4.324 ppm2 1.295 CV 1 ASSI { 4614} (( segid " " and resid 19 and name HG )) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 4614 spectrum 1 weight 0.11000E+01 volume 0.43000E-02 ppm1 0.860 ppm2 1.220 CV 1 ASSI { 4615} (( segid " " and resid 19 and name HG )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 4615 spectrum 1 weight 0.11000E+01 volume 0.46350E-02 ppm1 0.857 ppm2 1.284 CV 1 ASSI { 4617} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 71 and name HD1%) 4.000 1.000 2.000 peak 4617 spectrum 1 weight 0.11000E+01 volume 0.23206E-02 ppm1 -0.113 ppm2 0.500 CV 1 ASSI { 4618} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 4618 spectrum 1 weight 0.11000E+01 volume 0.69952E-02 ppm1 -0.112 ppm2 1.255 CV 1 ASSI { 4619} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 4619 spectrum 1 weight 0.11000E+01 volume 0.94397E-02 ppm1 -0.109 ppm2 1.293 CV 1 ASSI { 4620} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 134 and name HB1 )) 3.600 1.000 1.000 peak 4620 spectrum 1 weight 0.11000E+01 volume 0.93645E-02 ppm1 -0.112 ppm2 1.359 CV 1 ASSI { 4621} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 134 and name HB2 )) 3.600 1.000 1.000 peak 4621 spectrum 1 weight 0.11000E+01 volume 0.74020E-02 ppm1 -0.109 ppm2 1.386 CV 1 ASSI { 4622} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 22 and name HB1 )) 3.200 1.000 1.000 peak 4622 spectrum 1 weight 0.11000E+01 volume 0.90828E-02 ppm1 -0.109 ppm2 1.347 CV 1 ASSI { 4623} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 134 and name HA )) 5.800 1.000 0.200 peak 4623 spectrum 1 weight 0.11000E+01 volume 0.12302E-02 ppm1 -0.113 ppm2 4.197 CV 1 ASSI { 4625} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HN )) 3.800 1.000 1.000 peak 4625 spectrum 1 weight 0.11000E+01 volume 0.12464E-02 ppm1 -0.111 ppm2 7.991 CV 1 ASSI { 4626} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 134 and name HN )) 5.000 1.000 1.000 peak 4626 spectrum 1 weight 0.11000E+01 volume 0.11966E-02 ppm1 -0.113 ppm2 8.449 CV 1 ASSI { 4627} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 4627 spectrum 1 weight 0.11000E+01 volume 0.61151E-02 ppm1 -0.461 ppm2 1.294 CV 1 ASSI { 4628} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 4628 spectrum 1 weight 0.11000E+01 volume 0.60893E-02 ppm1 -0.461 ppm2 1.251 CV 1 ASSI { 4629} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 78 and name HG )) 4.800 1.000 1.000 peak 4629 spectrum 1 weight 0.11000E+01 volume 0.66067E-02 ppm1 -0.464 ppm2 1.276 CV 1 ASSI { 4634} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 4634 spectrum 1 weight 0.11000E+01 volume 0.41808E-02 ppm1 4.362 ppm2 1.676 CV 1 ASSI { 4635} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 2.800 1.000 1.000 peak 4635 spectrum 1 weight 0.11000E+01 volume 0.40923E-02 ppm1 4.362 ppm2 1.353 CV 1 ASSI { 4637} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD1%) 3.000 1.500 1.500 peak 4637 spectrum 1 weight 0.11000E+01 volume 0.24481E-02 ppm1 4.365 ppm2 -0.070 CV 1 ASSI { 4657} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 116 and name HD1%) 4.000 1.000 2.000 peak 4657 spectrum 1 weight 0.11000E+01 volume 0.65369E-02 ppm1 0.688 ppm2 -0.021 CV 1 ASSI { 4666} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 28 and name HD% ) 4.000 1.500 1.000 peak 4666 spectrum 1 weight 0.11000E+01 volume 0.12027E-02 ppm1 -0.014 ppm2 7.217 CV 1 ASSI { 4667} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 128 and name HE% ) 5.000 1.000 1.000 peak 4667 spectrum 1 weight 0.11000E+01 volume 0.13256E-02 ppm1 -0.019 ppm2 7.000 CV 1 ASSI { 4673} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 28 and name HB2 )) 3.500 1.000 1.000 peak 4673 spectrum 1 weight 0.11000E+01 volume 0.10513E-02 ppm1 -0.024 ppm2 2.662 CV 1 ASSI { 4675} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 4675 spectrum 1 weight 0.11000E+01 volume 0.36903E-02 ppm1 -0.014 ppm2 1.333 CV 1 ASSI { 4676} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.900 1.000 1.000 peak 4676 spectrum 1 weight 0.11000E+01 volume 0.34514E-02 ppm1 -0.022 ppm2 0.625 CV 1 ASSI { 4677} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HN )) 3.500 1.000 1.300 peak 4677 spectrum 1 weight 0.11000E+01 volume 0.88619E-03 ppm1 0.241 ppm2 8.782 CV 1 ASSI { 4679} ( segid " " and resid 71 and name HD2%) ( segid " " and resid 80 and name HD2%) 3.300 1.000 1.500 peak 4679 spectrum 1 weight 0.11000E+01 volume 0.23239E-02 ppm1 0.583 ppm2 1.186 CV 1 ASSI { 4680} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 78 and name HG )) 3.300 1.000 2.500 peak 4680 spectrum 1 weight 0.11000E+01 volume 0.56486E-02 ppm1 0.581 ppm2 1.275 CV 1 ASSI { 4681} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 80 and name HB1 )) 3.800 1.000 1.000 peak 4681 spectrum 1 weight 0.11000E+01 volume 0.40817E-02 ppm1 0.584 ppm2 1.366 CV 1 ASSI { 4686} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD2%) 3.800 1.000 1.000 peak 4686 spectrum 1 weight 0.11000E+01 volume 0.81062E-03 ppm1 5.411 ppm2 0.367 CV 1 ASSI { 4690} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 78 and name HD1%) 2.800 1.000 1.000 peak 4690 spectrum 1 weight 0.11000E+01 volume 0.11161E-02 ppm1 1.716 ppm2 0.018 CV 1 ASSI { 4694} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HB2 )) 1.800 0.200 1.000 peak 4694 spectrum 1 weight 0.11000E+01 volume 0.11766E-02 ppm1 1.242 ppm2 1.703 CV 1 ASSI { 4695} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG )) 2.800 1.000 1.000 peak 4695 spectrum 1 weight 0.11000E+01 volume 0.28870E-02 ppm1 5.414 ppm2 1.277 CV 1 ASSI { 4696} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB1 )) 2.800 1.000 1.000 peak 4696 spectrum 1 weight 0.11000E+01 volume 0.28056E-02 ppm1 5.409 ppm2 1.244 CV 1 ASSI { 4698} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 4698 spectrum 1 weight 0.11000E+01 volume 0.15209E-02 ppm1 5.414 ppm2 1.725 CV 1 ASSI { 4701} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HN )) 4.400 1.000 1.000 peak 4701 spectrum 1 weight 0.11000E+01 volume 0.31141E-02 ppm1 0.016 ppm2 9.039 CV 1 ASSI { 4704} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 4704 spectrum 1 weight 0.11000E+01 volume 0.13810E-02 ppm1 0.027 ppm2 8.351 CV 1 ASSI { 4705} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 73 and name HB2 )) 4.800 1.000 1.000 peak 4705 spectrum 1 weight 0.11000E+01 volume 0.12010E-02 ppm1 0.017 ppm2 3.072 CV 1 ASSI { 4706} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 73 and name HB1 )) 4.800 1.500 1.000 peak 4706 spectrum 1 weight 0.11000E+01 volume 0.20409E-02 ppm1 0.023 ppm2 2.588 CV 1 ASSI { 4707} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB1 )) 2.800 1.000 1.000 peak 4707 spectrum 1 weight 0.11000E+01 volume 0.52706E-02 ppm1 0.016 ppm2 1.238 CV 1 ASSI { 4712} ( segid " " and resid 78 and name HD2%) (( segid " " and resid 78 and name HB1 )) 2.800 1.000 1.000 peak 4712 spectrum 1 weight 0.11000E+01 volume 0.33150E-02 ppm1 0.371 ppm2 1.247 CV 1 ASSI { 4716} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HB1 )) 1.800 0.200 0.500 peak 4716 spectrum 1 weight 0.11000E+01 volume 0.24577E-02 ppm1 1.459 ppm2 1.365 CV 1 ASSI { 4729} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 80 and name HD2%) 2.800 1.000 1.000 peak 4729 spectrum 1 weight 0.11000E+01 volume 0.13210E-02 ppm1 1.449 ppm2 1.196 CV 1 ASSI { 4730} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 80 and name HD2%) 2.800 1.000 1.000 peak 4730 spectrum 1 weight 0.11000E+01 volume 0.21826E-02 ppm1 1.376 ppm2 1.207 CV 1 ASSI { 4731} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 82 and name HH )) 4.100 1.000 1.000 peak 4731 spectrum 1 weight 0.11000E+01 volume 0.97302E-03 ppm1 1.184 ppm2 9.638 CV 1 ASSI { 4733} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 43 and name HN )) 4.200 1.000 1.000 peak 4733 spectrum 1 weight 0.11000E+01 volume 0.11303E-02 ppm1 0.984 ppm2 7.965 CV 1 ASSI { 4735} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HB1 )) 2.800 1.000 1.000 peak 4735 spectrum 1 weight 0.11000E+01 volume 0.37317E-02 ppm1 0.984 ppm2 1.434 CV 1 ASSI { 4736} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HB1 )) 2.800 1.000 1.000 peak 4736 spectrum 1 weight 0.11000E+01 volume 0.46073E-02 ppm1 0.987 ppm2 1.348 CV 1 ASSI { 4737} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 80 and name HD2%) 2.800 1.000 1.000 peak 4737 spectrum 1 weight 0.11000E+01 volume 0.10394E-01 ppm1 0.986 ppm2 1.182 CV 1 ASSI { 4738} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 71 and name HD2%) 2.800 1.000 1.000 peak 4738 spectrum 1 weight 0.11000E+01 volume 0.59192E-02 ppm1 0.984 ppm2 0.582 CV 1 ASSI { 4739} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 42 and name HG1%) 3.200 1.000 1.500 peak 4739 spectrum 1 weight 0.11000E+01 volume 0.22117E-02 ppm1 0.982 ppm2 0.702 CV 1 ASSI { 4740} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 71 and name HD1%) 2.800 1.000 1.500 peak 4740 spectrum 1 weight 0.11000E+01 volume 0.18793E-02 ppm1 0.983 ppm2 0.476 CV 1 ASSI { 4741} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 100 and name HD1%) 3.600 1.100 1.100 peak 4741 spectrum 1 weight 0.11000E+01 volume 0.11507E-02 ppm1 0.983 ppm2 0.227 CV 1 ASSI { 4742} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG )) 2.800 1.000 1.000 peak 4742 spectrum 1 weight 0.11000E+01 volume 0.10662E-02 ppm1 1.456 ppm2 1.656 CV 1 ASSI { 4744} (( segid " " and resid 80 and name HG )) ( segid " " and resid 80 and name HD2%) 2.800 1.000 1.000 peak 4744 spectrum 1 weight 0.11000E+01 volume 0.44078E-02 ppm1 1.636 ppm2 1.166 CV 1 ASSI { 4745} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HG )) 2.800 1.000 1.000 peak 4745 spectrum 1 weight 0.11000E+01 volume 0.65731E-02 ppm1 0.987 ppm2 1.633 CV 1 ASSI { 4758} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 2.900 1.000 1.000 peak 4758 spectrum 1 weight 0.11000E+01 volume 0.27821E-02 ppm1 4.637 ppm2 1.609 CV 1 ASSI { 4759} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB1 )) 2.800 1.000 1.000 peak 4759 spectrum 1 weight 0.11000E+01 volume 0.26914E-02 ppm1 4.648 ppm2 1.507 CV 1 ASSI { 4760} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG )) 2.800 1.000 1.000 peak 4760 spectrum 1 weight 0.11000E+01 volume 0.13047E-02 ppm1 4.651 ppm2 1.282 CV 1 ASSI { 4765} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 2.000 peak 4765 spectrum 1 weight 0.11000E+01 volume 0.22288E-02 ppm1 1.624 ppm2 3.207 CV 1 ASSI { 4768} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG )) 2.800 1.000 1.000 peak 4768 spectrum 1 weight 0.11000E+01 volume 0.10338E-02 ppm1 1.629 ppm2 1.273 CV 1 ASSI { 4769} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 94 and name HD1%) 2.800 1.000 1.000 peak 4769 spectrum 1 weight 0.11000E+01 volume 0.26265E-02 ppm1 1.593 ppm2 0.779 CV 1 ASSI { 4777} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HD2%) 3.000 1.500 1.500 peak 4777 spectrum 1 weight 0.11000E+01 volume 0.20267E-02 ppm1 4.652 ppm2 0.800 CV 1 ASSI { 4780} (( segid " " and resid 94 and name HG )) ( segid " " and resid 94 and name HD2%) 2.800 1.000 1.000 peak 4780 spectrum 1 weight 0.11000E+01 volume 0.63898E-02 ppm1 1.277 ppm2 0.813 CV 1 ASSI { 4782} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 123 and name HA )) 2.500 1.000 1.000 peak 4782 spectrum 1 weight 0.11000E+01 volume 0.63492E-02 ppm1 0.821 ppm2 4.251 CV 1 ASSI { 4788} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HB2 )) 4.600 1.000 1.000 peak 4788 spectrum 1 weight 0.11000E+01 volume 0.14529E-02 ppm1 4.548 ppm2 1.918 CV 1 ASSI { 4793} ( segid " " and resid 92 and name HD2%) (( segid " " and resid 92 and name HA )) 2.800 1.000 1.000 peak 4793 spectrum 1 weight 0.11000E+01 volume 0.68247E-02 ppm1 0.808 ppm2 4.206 CV 1 ASSI { 4806} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 126 and name HA )) 4.800 1.000 1.000 peak 4806 spectrum 1 weight 0.11000E+01 volume 0.26318E-02 ppm1 -0.014 ppm2 4.371 CV 1 ASSI { 4808} ( segid " " and resid 116 and name HD2%) (( segid " " and resid 116 and name HG )) 2.800 1.000 1.000 peak 4808 spectrum 1 weight 0.11000E+01 volume 0.84571E-02 ppm1 0.534 ppm2 0.903 CV 1 ASSI { 4814} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HB )) 2.800 1.000 1.000 peak 4814 spectrum 1 weight 0.11000E+01 volume 0.13330E-01 ppm1 0.902 ppm2 1.929 CV 1 ASSI { 4825} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HA )) 2.800 1.000 1.000 peak 4825 spectrum 1 weight 0.11000E+01 volume 0.55545E-02 ppm1 0.901 ppm2 4.758 CV 1 ASSI { 4826} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 126 and name HA )) 3.500 1.000 1.300 peak 4826 spectrum 1 weight 0.11000E+01 volume 0.50051E-02 ppm1 0.905 ppm2 4.378 CV 1 ASSI { 4835} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HN )) 4.700 1.000 1.000 peak 4835 spectrum 1 weight 0.11000E+01 volume 0.16513E-02 ppm1 0.749 ppm2 9.140 CV 1 ASSI { 4838} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 126 and name HB2 )) 1.800 0.200 1.000 peak 4838 spectrum 1 weight 0.11000E+01 volume 0.24543E-02 ppm1 0.966 ppm2 1.899 CV 1 ASSI { 4846} (( segid " " and resid 126 and name HB1 )) ( segid " " and resid 126 and name HD1%) 2.800 1.000 1.000 peak 4846 spectrum 1 weight 0.11000E+01 volume 0.25194E-02 ppm1 0.965 ppm2 0.668 CV 1 ASSI { 4847} ( segid " " and resid 126 and name HD2%) (( segid " " and resid 125 and name HA )) 4.200 1.000 1.000 peak 4847 spectrum 1 weight 0.11000E+01 volume 0.13113E-02 ppm1 1.038 ppm2 4.916 CV 1 ASSI { 4848} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 116 and name HD1%) 4.500 1.000 1.500 peak 4848 spectrum 1 weight 0.11000E+01 volume 0.10821E-02 ppm1 1.040 ppm2 -0.017 CV 1 ASSI { 4849} ( segid " " and resid 126 and name HD2%) ( segid " " and resid 125 and name HG2%) 5.000 1.000 1.000 peak 4849 spectrum 1 weight 0.11000E+01 volume 0.14706E-02 ppm1 1.041 ppm2 0.238 CV 1 ASSI { 4854} ( segid " " and resid 116 and name HD2%) (( segid " " and resid 116 and name HB2 )) 2.800 1.000 1.000 peak 4854 spectrum 1 weight 0.11000E+01 volume 0.32753E-02 ppm1 0.532 ppm2 1.915 CV 1 ASSI { 4855} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HB2 )) 2.800 1.000 1.000 peak 4855 spectrum 1 weight 0.11000E+01 volume 0.56111E-02 ppm1 -0.011 ppm2 1.919 CV 1 ASSI { 4858} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB1 )) 1.800 0.200 0.400 peak 4858 spectrum 1 weight 0.11000E+01 volume 0.27467E-02 ppm1 1.921 ppm2 0.864 CV 1 ASSI { 4860} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 116 and name HD2%) 2.800 1.000 1.000 peak 4860 spectrum 1 weight 0.11000E+01 volume 0.17282E-02 ppm1 0.846 ppm2 0.539 CV 1 ASSI { 4861} (( segid " " and resid 116 and name HB1 )) (( segid " " and resid 116 and name HN )) 2.800 1.000 1.000 peak 4861 spectrum 1 weight 0.11000E+01 volume 0.11323E-02 ppm1 0.829 ppm2 8.730 CV 1 ASSI { 4862} ( segid " " and resid 116 and name HD1%) (( segid " " and resid 116 and name HB1 )) 2.800 1.000 1.000 peak 4862 spectrum 1 weight 0.11000E+01 volume 0.11010E-01 ppm1 -0.014 ppm2 0.849 CV 1 ASSI { 4867} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HA )) 4.700 1.000 1.000 peak 4867 spectrum 1 weight 0.11000E+01 volume 0.13136E-02 ppm1 2.874 ppm2 3.950 CV 1 ASSI { 4870} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 8 and name HG1%) 3.400 1.000 1.100 peak 4870 spectrum 1 weight 0.11000E+01 volume 0.14036E-02 ppm1 2.675 ppm2 0.734 CV 1 ASSI { 4874} (( segid " " and resid 7 and name HA )) (( segid " " and resid 19 and name HN )) 3.400 1.000 1.000 peak 4874 spectrum 1 weight 0.11000E+01 volume 0.14941E-02 ppm1 5.282 ppm2 7.986 CV 1 ASSI { 4876} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HA )) 4.500 1.000 1.000 peak 4876 spectrum 1 weight 0.11000E+01 volume 0.15348E-02 ppm1 4.495 ppm2 4.841 CV 1 ASSI { 4881} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HB1 )) 1.800 0.200 0.400 peak 4881 spectrum 1 weight 0.11000E+01 volume 0.62233E-02 ppm1 2.386 ppm2 1.729 CV 1 ASSI { 4886} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 87 and name HG2 )) 2.800 1.000 1.000 peak 4886 spectrum 1 weight 0.11000E+01 volume 0.36592E-02 ppm1 1.735 ppm2 2.132 CV 1 ASSI { 4888} (( segid " " and resid 87 and name HG1 )) (( segid " " and resid 87 and name HD2 )) 2.800 1.000 1.000 peak 4888 spectrum 1 weight 0.11000E+01 volume 0.24350E-02 ppm1 1.982 ppm2 4.503 CV 1 ASSI { 4890} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 87 and name HG2 )) 2.800 1.000 1.000 peak 4890 spectrum 1 weight 0.11000E+01 volume 0.24865E-02 ppm1 3.844 ppm2 2.107 CV 1 ASSI { 4891} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 87 and name HG1 )) 2.800 1.000 1.000 peak 4891 spectrum 1 weight 0.11000E+01 volume 0.19304E-02 ppm1 3.844 ppm2 1.976 CV 1 ASSI { 4900} (( segid " " and resid 87 and name HG1 )) (( segid " " and resid 87 and name HB2 )) 2.800 1.000 1.000 peak 4900 spectrum 1 weight 0.11000E+01 volume 0.16362E-02 ppm1 1.970 ppm2 2.388 CV 1 ASSI { 4906} (( segid " " and resid 87 and name HG1 )) (( segid " " and resid 87 and name HB1 )) 2.800 1.000 1.000 peak 4906 spectrum 1 weight 0.11000E+01 volume 0.34678E-02 ppm1 1.968 ppm2 1.764 CV 1 ASSI { 4910} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 119 and name HN )) 4.500 1.000 1.000 peak 4910 spectrum 1 weight 0.11000E+01 volume 0.44300E-02 ppm1 3.725 ppm2 8.245 CV 1 ASSI { 4911} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 4911 spectrum 1 weight 0.11000E+01 volume 0.52150E-02 ppm1 3.729 ppm2 4.409 CV 1 ASSI { 4919} (( segid " " and resid 55 and name HA )) ( segid " " and resid 46 and name HG1%) 4.000 1.000 1.500 peak 4919 spectrum 1 weight 0.11000E+01 volume 0.15590E-02 ppm1 5.479 ppm2 0.635 CV 1 ASSI { 4922} ( segid " " and resid 55 and name HB% ) (( segid " " and resid 64 and name HN )) 4.200 1.000 1.000 peak 4922 spectrum 1 weight 0.11000E+01 volume 0.11152E-02 ppm1 1.229 ppm2 8.784 CV 1 ASSI { 4930} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 110 and name HD1 )) 3.700 1.000 1.000 peak 4930 spectrum 1 weight 0.11000E+01 volume 0.86314E-03 ppm1 1.240 ppm2 3.624 CV 1 ASSI { 4931} ( segid " " and resid 55 and name HB% ) (( segid " " and resid 54 and name HA1 )) 4.300 1.000 1.000 peak 4931 spectrum 1 weight 0.11000E+01 volume 0.17813E-02 ppm1 1.230 ppm2 3.101 CV 1 ASSI { 4932} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 110 and name HG1 )) 2.900 1.000 1.500 peak 4932 spectrum 1 weight 0.11000E+01 volume 0.35783E-02 ppm1 1.230 ppm2 2.033 CV 1 ASSI { 4936} (( segid " " and resid 56 and name HA )) (( segid " " and resid 63 and name HG1 )) 5.200 1.000 0.800 peak 4936 spectrum 1 weight 0.11000E+01 volume 0.87258E-03 ppm1 5.062 ppm2 1.490 CV 1 ASSI { 4949} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 114 and name HG1 )) 4.000 1.000 2.000 peak 4949 spectrum 1 weight 0.11000E+01 volume 0.36870E-02 ppm1 0.574 ppm2 1.052 CV 1 ASSI { 4955} (( segid " " and resid 30 and name HG11)) (( segid " " and resid 30 and name HG12)) 1.800 0.200 0.500 peak 4955 spectrum 1 weight 0.11000E+01 volume 0.63079E-02 ppm1 0.904 ppm2 1.246 CV 1 ASSI { 4957} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 4957 spectrum 1 weight 0.11000E+01 volume 0.98993E-03 ppm1 1.496 ppm2 9.476 CV 1 ASSI { 4959} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG11)) 3.700 1.700 1.700 peak 4959 spectrum 1 weight 0.11000E+01 volume 0.20334E-02 ppm1 4.624 ppm2 0.569 CV 1 ASSI { 4961} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG11)) 2.800 1.000 1.000 peak 4961 spectrum 1 weight 0.11000E+01 volume 0.41683E-02 ppm1 1.618 ppm2 0.568 CV 1 ASSI { 4963} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HG11)) 1.800 0.200 0.400 peak 4963 spectrum 1 weight 0.11000E+01 volume 0.45746E-02 ppm1 1.488 ppm2 0.617 CV 1 ASSI { 4966} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 32 and name HB1 )) 5.000 1.000 1.000 peak 4966 spectrum 1 weight 0.11000E+01 volume 0.19364E-02 ppm1 0.592 ppm2 2.394 CV 1 ASSI { 4975} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HG1 )) 1.800 0.200 0.400 peak 4975 spectrum 1 weight 0.11000E+01 volume 0.77090E-02 ppm1 1.530 ppm2 1.345 CV 1 ASSI { 4977} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.700 1.000 1.500 peak 4977 spectrum 1 weight 0.11000E+01 volume 0.15465E-02 ppm1 1.510 ppm2 3.175 CV 1 ASSI { 4998} (( segid " " and resid 50 and name HA2 )) (( segid " " and resid 50 and name HA1 )) 1.800 0.200 0.400 peak 4998 spectrum 1 weight 0.11000E+01 volume 0.66145E-02 ppm1 4.399 ppm2 3.829 CV 1 ASSI { 5000} (( segid " " and resid 50 and name HA2 )) (( segid " " and resid 51 and name HD2 )) 2.800 1.000 1.000 peak 5000 spectrum 1 weight 0.11000E+01 volume 0.33392E-02 ppm1 4.391 ppm2 3.638 CV 1 ASSI { 5013} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG1 )) 3.900 1.000 1.000 peak 5013 spectrum 1 weight 0.11000E+01 volume 0.30221E-02 ppm1 4.334 ppm2 1.950 CV 1 ASSI { 5014} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 5014 spectrum 1 weight 0.11000E+01 volume 0.45575E-02 ppm1 1.865 ppm2 4.340 CV 1 ASSI { 5017} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HD1 )) 2.800 1.000 1.000 peak 5017 spectrum 1 weight 0.11000E+01 volume 0.21670E-02 ppm1 1.955 ppm2 3.487 CV 1 ASSI { 5023} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HD2 )) 2.800 1.000 1.000 peak 5023 spectrum 1 weight 0.11000E+01 volume 0.27491E-02 ppm1 1.968 ppm2 3.631 CV 1 ASSI { 5024} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HD1 )) 2.800 1.000 1.000 peak 5024 spectrum 1 weight 0.11000E+01 volume 0.28656E-02 ppm1 2.093 ppm2 3.487 CV 1 ASSI { 5025} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 3.900 1.000 1.000 peak 5025 spectrum 1 weight 0.11000E+01 volume 0.23770E-02 ppm1 4.333 ppm2 2.088 CV 1 ASSI { 5027} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 50 and name HA2 )) 2.800 1.000 1.000 peak 5027 spectrum 1 weight 0.11000E+01 volume 0.28232E-02 ppm1 3.492 ppm2 4.374 CV 1 ASSI { 5030} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) 3.300 1.000 1.000 peak 5030 spectrum 1 weight 0.11000E+01 volume 0.12553E-02 ppm1 3.655 ppm2 2.221 CV 1 ASSI { 5036} (( segid " " and resid 120 and name HA )) (( segid " " and resid 119 and name HN )) 4.700 1.000 1.000 peak 5036 spectrum 1 weight 0.11000E+01 volume 0.10453E-02 ppm1 4.953 ppm2 8.252 CV 1 ASSI { 5038} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 5038 spectrum 1 weight 0.11000E+01 volume 0.31709E-02 ppm1 4.936 ppm2 2.921 CV 1 ASSI { 5039} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB1 )) 2.800 1.000 1.000 peak 5039 spectrum 1 weight 0.11000E+01 volume 0.29254E-02 ppm1 4.930 ppm2 2.797 CV 1 ASSI { 5051} (( segid " " and resid 9 and name HA )) ( segid " " and resid 17 and name HD% ) 5.000 1.000 1.000 peak 5051 spectrum 1 weight 0.11000E+01 volume 0.97203E-03 ppm1 5.420 ppm2 7.346 CV 1 ASSI { 5055} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 15 and name HN )) 4.000 1.000 1.000 peak 5055 spectrum 1 weight 0.11000E+01 volume 0.96846E-03 ppm1 0.833 ppm2 7.684 CV 1 ASSI { 5056} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) 2.800 1.000 1.000 peak 5056 spectrum 1 weight 0.11000E+01 volume 0.11268E-02 ppm1 3.260 ppm2 4.733 CV 1 ASSI { 5059} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 5059 spectrum 1 weight 0.11000E+01 volume 0.14213E-02 ppm1 3.920 ppm2 7.037 CV 1 ASSI { 5064} (( segid " " and resid 62 and name HG11)) (( segid " " and resid 62 and name HG12)) 1.800 0.200 0.400 peak 5064 spectrum 1 weight 0.11000E+01 volume 0.39239E-02 ppm1 1.069 ppm2 1.285 CV 1 ASSI { 5070} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HB )) 2.800 1.000 1.000 peak 5070 spectrum 1 weight 0.11000E+01 volume 0.41149E-02 ppm1 0.258 ppm2 1.431 CV 1 ASSI { 5071} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HG12)) 2.800 1.000 1.000 peak 5071 spectrum 1 weight 0.11000E+01 volume 0.25621E-02 ppm1 0.251 ppm2 1.296 CV 1 ASSI { 5072} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HG11)) 2.800 1.000 1.000 peak 5072 spectrum 1 weight 0.11000E+01 volume 0.38358E-02 ppm1 0.253 ppm2 1.060 CV 1 ASSI { 5074} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 57 and name HB1 )) 4.500 1.000 1.000 peak 5074 spectrum 1 weight 0.11000E+01 volume 0.13655E-02 ppm1 0.234 ppm2 2.857 CV 1 ASSI { 5078} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HB )) 2.800 1.000 1.000 peak 5078 spectrum 1 weight 0.11000E+01 volume 0.34331E-02 ppm1 0.635 ppm2 1.432 CV 1 ASSI { 5079} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG12)) 2.800 1.000 1.000 peak 5079 spectrum 1 weight 0.11000E+01 volume 0.47916E-02 ppm1 0.638 ppm2 1.291 CV 1 ASSI { 5082} (( segid " " and resid 121 and name HA )) (( segid " " and resid 120 and name HA )) 4.400 1.000 1.000 peak 5082 spectrum 1 weight 0.11000E+01 volume 0.12056E-02 ppm1 3.966 ppm2 4.923 CV 1 ASSI { 5091} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HN )) 2.800 1.000 1.000 peak 5091 spectrum 1 weight 0.11000E+01 volume 0.10362E-02 ppm1 1.996 ppm2 8.987 CV 1 ASSI { 5093} (( segid " " and resid 128 and name HA )) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 5093 spectrum 1 weight 0.11000E+01 volume 0.18690E-02 ppm1 5.460 ppm2 4.257 CV 1 ASSI { 5094} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HB2 )) 4.700 1.000 1.000 peak 5094 spectrum 1 weight 0.11000E+01 volume 0.10976E-02 ppm1 5.449 ppm2 3.571 CV 1 ASSI { 5095} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 2.800 1.000 1.000 peak 5095 spectrum 1 weight 0.11000E+01 volume 0.71472E-03 ppm1 5.465 ppm2 2.652 CV 1 ASSI { 5099} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD% ) 2.800 1.000 1.000 peak 5099 spectrum 1 weight 0.11000E+01 volume 0.95529E-03 ppm1 2.644 ppm2 6.794 CV 1 ASSI { 5100} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD% ) 2.800 1.000 1.000 peak 5100 spectrum 1 weight 0.11000E+01 volume 0.12303E-02 ppm1 2.823 ppm2 6.769 CV 1 ASSI { 5106} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 5106 spectrum 1 weight 0.11000E+01 volume 0.21647E-02 ppm1 3.166 ppm2 4.780 CV 1 ASSI { 5107} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 5107 spectrum 1 weight 0.11000E+01 volume 0.22296E-02 ppm1 3.000 ppm2 4.756 CV 1 ASSI { 5109} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HB1 )) 1.800 0.200 0.400 peak 5109 spectrum 1 weight 0.11000E+01 volume 0.86479E-02 ppm1 3.164 ppm2 2.999 CV 1 ASSI { 5122} ( segid " " and resid 119 and name HG1%) (( segid " " and resid 119 and name HB )) 2.800 1.000 1.000 peak 5122 spectrum 1 weight 0.11000E+01 volume 0.12926E-01 ppm1 0.727 ppm2 1.936 CV 1 ASSI { 5123} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 127 and name HB1 )) 5.600 1.000 0.400 peak 5123 spectrum 1 weight 0.11000E+01 volume 0.25722E-02 ppm1 0.904 ppm2 2.807 CV 1 ASSI { 5167} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HD21)) 2.800 1.000 1.000 peak 5167 spectrum 1 weight 0.11000E+01 volume 0.12946E-02 ppm1 2.366 ppm2 6.989 CV 1 ASSI { 5171} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB1 )) 1.800 0.200 0.400 peak 5171 spectrum 1 weight 0.11000E+01 volume 0.49921E-02 ppm1 3.008 ppm2 2.364 CV 1 ASSI { 5175} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HG )) 2.800 1.000 1.000 peak 5175 spectrum 1 weight 0.11000E+01 volume 0.17513E-02 ppm1 3.929 ppm2 4.719 CV 1 ASSI { 5181} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HD1 )) 2.800 1.000 1.000 peak 5181 spectrum 1 weight 0.11000E+01 volume 0.67874E-02 ppm1 1.164 ppm2 1.613 CV 1 ASSI { 5185} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 84 and name HA )) 2.100 0.500 1.000 peak 5185 spectrum 1 weight 0.11000E+01 volume 0.15522E-02 ppm1 1.762 ppm2 4.154 CV 1 ASSI { 5188} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 84 and name HA )) 3.900 1.000 1.000 peak 5188 spectrum 1 weight 0.11000E+01 volume 0.13768E-02 ppm1 1.620 ppm2 4.164 CV 1 ASSI { 5190} (( segid " " and resid 101 and name HA )) ( segid " " and resid 102 and name HD% ) 4.500 1.000 1.000 peak 5190 spectrum 1 weight 0.11000E+01 volume 0.11473E-02 ppm1 5.198 ppm2 6.580 CV 1 ASSI { 5193} (( segid " " and resid 101 and name HA )) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 5193 spectrum 1 weight 0.11000E+01 volume 0.13745E-02 ppm1 5.184 ppm2 5.977 CV 1 ASSI { 5195} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) 2.800 1.000 1.000 peak 5195 spectrum 1 weight 0.11000E+01 volume 0.19697E-02 ppm1 5.181 ppm2 3.486 CV 1 ASSI { 5196} (( segid " " and resid 101 and name HA )) (( segid " " and resid 77 and name HB )) 5.800 1.000 1.000 peak 5196 spectrum 1 weight 0.11000E+01 volume 0.13870E-02 ppm1 5.188 ppm2 2.002 CV 1 ASSI { 5199} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 77 and name HG1%) 3.700 1.000 1.000 peak 5199 spectrum 1 weight 0.11000E+01 volume 0.22548E-02 ppm1 3.743 ppm2 0.798 CV 1 ASSI { 5201} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 77 and name HG1%) 3.100 1.500 1.500 peak 5201 spectrum 1 weight 0.11000E+01 volume 0.31916E-02 ppm1 3.506 ppm2 0.790 CV 1 ASSI { 5204} (( segid " " and resid 127 and name HA )) ( segid " " and resid 127 and name HD% ) 2.800 1.000 1.000 peak 5204 spectrum 1 weight 0.11000E+01 volume 0.18117E-02 ppm1 5.078 ppm2 7.044 CV 1 ASSI { 5205} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 2.800 1.000 1.000 peak 5205 spectrum 1 weight 0.11000E+01 volume 0.21707E-02 ppm1 5.063 ppm2 2.857 CV 1 ASSI { 5206} (( segid " " and resid 127 and name HA )) ( segid " " and resid 99 and name HG2%) 3.200 1.500 1.500 peak 5206 spectrum 1 weight 0.11000E+01 volume 0.68817E-03 ppm1 5.055 ppm2 0.858 CV 1 ASSI { 5207} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 5207 spectrum 1 weight 0.11000E+01 volume 0.16312E-02 ppm1 2.804 ppm2 8.285 CV 1 ASSI { 5212} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HA )) 4.300 1.000 1.000 peak 5212 spectrum 1 weight 0.11000E+01 volume 0.12527E-02 ppm1 4.366 ppm2 4.139 CV 1 ASSI { 5242} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD1%) 2.800 1.000 1.000 peak 5242 spectrum 1 weight 0.11000E+01 volume 0.56258E-02 ppm1 3.920 ppm2 0.858 CV 1 ASSI { 5244} (( segid " " and resid 33 and name HG12)) ( segid " " and resid 33 and name HG2%) 2.800 1.000 1.000 peak 5244 spectrum 1 weight 0.11000E+01 volume 0.76558E-02 ppm1 1.433 ppm2 0.899 CV 1 ASSI { 5246} (( segid " " and resid 33 and name HG11)) ( segid " " and resid 33 and name HG2%) 2.800 1.000 1.000 peak 5246 spectrum 1 weight 0.11000E+01 volume 0.14596E-01 ppm1 1.238 ppm2 0.904 CV 1 ASSI { 5248} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 33 and name HG2%) 4.000 1.000 1.000 peak 5248 spectrum 1 weight 0.11000E+01 volume 0.90448E-03 ppm1 3.130 ppm2 0.896 CV 1 ASSI { 5249} (( segid " " and resid 34 and name HD2 )) ( segid " " and resid 33 and name HG2%) 4.000 1.000 1.000 peak 5249 spectrum 1 weight 0.11000E+01 volume 0.13288E-02 ppm1 3.231 ppm2 0.904 CV 1 ASSI { 5251} (( segid " " and resid 63 and name HA )) (( segid " " and resid 56 and name HB2 )) 3.100 1.000 1.500 peak 5251 spectrum 1 weight 0.11000E+01 volume 0.10193E-02 ppm1 4.104 ppm2 3.196 CV 1 ASSI { 5252} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 5252 spectrum 1 weight 0.11000E+01 volume 0.94671E-03 ppm1 4.094 ppm2 1.820 CV 1 ASSI { 5253} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HD1 )) 4.500 1.300 1.000 peak 5253 spectrum 1 weight 0.11000E+01 volume 0.88228E-03 ppm1 4.091 ppm2 1.676 CV 1 ASSI { 5256} (( segid " " and resid 63 and name HA )) ( segid " " and resid 53 and name HG2%) 3.600 1.000 1.000 peak 5256 spectrum 1 weight 0.11000E+01 volume 0.14945E-02 ppm1 4.087 ppm2 1.020 CV 1 ASSI { 5257} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HG1 )) 2.900 1.000 1.000 peak 5257 spectrum 1 weight 0.11000E+01 volume 0.88055E-03 ppm1 4.085 ppm2 1.490 CV 1 ASSI { 5267} (( segid " " and resid 63 and name HE2 )) ( segid " " and resid 53 and name HD1%) 3.500 1.000 1.000 peak 5267 spectrum 1 weight 0.11000E+01 volume 0.22026E-02 ppm1 3.156 ppm2 0.599 CV 1 ASSI { 5268} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 2.900 1.000 1.000 peak 5268 spectrum 1 weight 0.11000E+01 volume 0.11084E-02 ppm1 4.900 ppm2 8.118 CV 1 ASSI { 5287} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 65 and name HA2 )) 4.000 1.000 1.000 peak 5287 spectrum 1 weight 0.11000E+01 volume 0.12733E-02 ppm1 4.112 ppm2 4.525 CV 1 ASSI { 5291} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 110 and name HG2 )) 4.700 1.000 1.000 peak 5291 spectrum 1 weight 0.11000E+01 volume 0.15005E-02 ppm1 4.101 ppm2 2.054 CV 1 ASSI { 5303} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HB1 )) 1.800 0.200 0.600 peak 5303 spectrum 1 weight 0.11000E+01 volume 0.53065E-02 ppm1 1.985 ppm2 1.662 CV 1 ASSI { 5306} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HG1 )) 2.800 1.000 1.000 peak 5306 spectrum 1 weight 0.11000E+01 volume 0.26823E-02 ppm1 1.666 ppm2 2.355 CV 1 ASSI { 5310} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 5310 spectrum 1 weight 0.11000E+01 volume 0.29752E-02 ppm1 2.393 ppm2 4.216 CV 1 ASSI { 5323} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 2.800 1.000 1.000 peak 5323 spectrum 1 weight 0.11000E+01 volume 0.56107E-02 ppm1 4.250 ppm2 1.996 CV 1 ASSI { 5326} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 5326 spectrum 1 weight 0.11000E+01 volume 0.65560E-02 ppm1 1.880 ppm2 4.245 CV 1 ASSI { 5329} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HN )) 4.400 1.000 1.000 peak 5329 spectrum 1 weight 0.11000E+01 volume 0.93636E-03 ppm1 2.222 ppm2 8.491 CV 1 ASSI { 5335} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 102 and name HE% ) 3.900 1.000 1.600 peak 5335 spectrum 1 weight 0.11000E+01 volume 0.87778E-03 ppm1 -0.109 ppm2 6.336 CV 1 ASSI { 5337} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 102 and name HZ )) 5.500 1.000 0.500 peak 5337 spectrum 1 weight 0.11000E+01 volume 0.12189E-02 ppm1 0.986 ppm2 6.596 CV 1 ASSI { 5338} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 128 and name HD% ) 3.300 1.000 1.000 peak 5338 spectrum 1 weight 0.11000E+01 volume 0.17899E-02 ppm1 0.237 ppm2 6.781 CV 1 ASSI { 5339} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 102 and name HD% ) 4.400 1.000 1.500 peak 5339 spectrum 1 weight 0.11000E+01 volume 0.15055E-02 ppm1 -0.068 ppm2 6.572 CV 1 ASSI { 5340} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 79 and name HE22)) 4.300 1.000 1.500 peak 5340 spectrum 1 weight 0.11000E+01 volume 0.25757E-02 ppm1 0.850 ppm2 6.885 CV 1 ASSI { 5341} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 127 and name HE% ) 3.100 1.000 2.900 peak 5341 spectrum 1 weight 0.11000E+01 volume 0.21991E-02 ppm1 0.850 ppm2 7.139 CV 1 ASSI { 5344} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 39 and name HG2 )) 3.600 1.000 2.000 peak 5344 spectrum 1 weight 0.11000E+01 volume 0.40326E-02 ppm1 0.657 ppm2 1.372 CV 1 ASSI { 5345} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 2.800 1.000 1.000 peak 5345 spectrum 1 weight 0.11000E+01 volume 0.12935E-01 ppm1 0.656 ppm2 1.551 CV 1 ASSI { 5347} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HA )) 4.700 1.000 1.000 peak 5347 spectrum 1 weight 0.11000E+01 volume 0.50941E-02 ppm1 0.657 ppm2 3.808 CV 1 ASSI { 5352} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 132 and name HG2%) 4.200 1.000 1.000 peak 5352 spectrum 1 weight 0.11000E+01 volume 0.17180E-02 ppm1 -0.065 ppm2 0.944 CV 1 ASSI { 5353} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 19 and name HG )) 4.100 1.000 1.000 peak 5353 spectrum 1 weight 0.11000E+01 volume 0.16517E-02 ppm1 -0.067 ppm2 0.868 CV 1 ASSI { 5357} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 22 and name HB1 )) 4.200 1.000 1.000 peak 5357 spectrum 1 weight 0.11000E+01 volume 0.37617E-02 ppm1 0.909 ppm2 1.354 CV 1 ASSI { 5359} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HB )) 2.800 1.000 1.000 peak 5359 spectrum 1 weight 0.11000E+01 volume 0.71497E-02 ppm1 0.914 ppm2 1.853 CV 1 ASSI { 5362} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 23 and name HB1 )) 3.700 1.000 1.000 peak 5362 spectrum 1 weight 0.11000E+01 volume 0.34984E-02 ppm1 0.911 ppm2 1.746 CV 1 ASSI { 5364} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB )) 3.000 1.000 1.000 peak 5364 spectrum 1 weight 0.11000E+01 volume 0.15531E-02 ppm1 3.849 ppm2 1.853 CV 1 ASSI { 5372} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 126 and name HD1%) 2.800 1.000 1.500 peak 5372 spectrum 1 weight 0.11000E+01 volume 0.26406E-02 ppm1 0.980 ppm2 0.675 CV 1 ASSI { 5376} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 5376 spectrum 1 weight 0.11000E+01 volume 0.33794E-02 ppm1 0.980 ppm2 8.792 CV 1 ASSI { 5377} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 98 and name HN )) 5.500 1.000 0.500 peak 5377 spectrum 1 weight 0.11000E+01 volume 0.19585E-02 ppm1 0.985 ppm2 9.118 CV 1 ASSI { 5384} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG1 )) 2.800 1.000 1.000 peak 5384 spectrum 1 weight 0.11000E+01 volume 0.39808E-02 ppm1 5.268 ppm2 2.063 CV 1 ASSI { 5389} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 2.800 1.000 1.000 peak 5389 spectrum 1 weight 0.11000E+01 volume 0.12356E-02 ppm1 2.424 ppm2 3.335 CV 1 ASSI { 5390} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 96 and name HA )) 2.300 0.500 1.500 peak 5390 spectrum 1 weight 0.11000E+01 volume 0.12792E-02 ppm1 2.428 ppm2 4.825 CV 1 ASSI { 5391} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 96 and name HA )) 3.500 1.000 1.500 peak 5391 spectrum 1 weight 0.11000E+01 volume 0.14827E-02 ppm1 1.565 ppm2 4.814 CV 1 ASSI { 5396} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 85 and name HA2 )) 1.800 0.200 0.600 peak 5396 spectrum 1 weight 0.11000E+01 volume 0.38462E-02 ppm1 3.446 ppm2 4.099 CV 1 ASSI { 5398} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 96 and name HB2 )) 3.600 1.000 1.000 peak 5398 spectrum 1 weight 0.11000E+01 volume 0.14387E-02 ppm1 3.452 ppm2 3.226 CV 1 ASSI { 5401} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 16 and name HA )) 3.000 1.000 1.500 peak 5401 spectrum 1 weight 0.11000E+01 volume 0.31954E-02 ppm1 0.832 ppm2 3.945 CV 1 ASSI { 5402} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HB2 )) 1.800 0.200 0.600 peak 5402 spectrum 1 weight 0.11000E+01 volume 0.29808E-02 ppm1 3.035 ppm2 3.649 CV 1 ASSI { 5419} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 131 and name HB1 )) 4.000 1.000 1.000 peak 5419 spectrum 1 weight 0.11000E+01 volume 0.20747E-02 ppm1 1.505 ppm2 2.806 CV 1 ASSI { 5420} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 131 and name HB2 )) 4.000 1.000 1.000 peak 5420 spectrum 1 weight 0.11000E+01 volume 0.13103E-02 ppm1 1.512 ppm2 3.143 CV 1 ASSI { 5421} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 133 and name HB2 )) 3.900 1.500 1.000 peak 5421 spectrum 1 weight 0.11000E+01 volume 0.21378E-02 ppm1 1.508 ppm2 4.016 CV 1 ASSI { 5422} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 133 and name HB1 )) 4.400 1.500 1.000 peak 5422 spectrum 1 weight 0.11000E+01 volume 0.10450E-02 ppm1 1.505 ppm2 3.900 CV 1 ASSI { 5425} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 105 and name HN )) 4.900 1.000 1.000 peak 5425 spectrum 1 weight 0.11000E+01 volume 0.12899E-02 ppm1 1.507 ppm2 6.909 CV 1 ASSI { 5428} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 116 and name HN )) 5.000 1.000 1.000 peak 5428 spectrum 1 weight 0.11000E+01 volume 0.15619E-02 ppm1 0.572 ppm2 8.735 CV 1 ASSI { 5432} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 128 and name HD% ) 5.300 1.500 0.700 peak 5432 spectrum 1 weight 0.11000E+01 volume 0.12563E-02 ppm1 -0.016 ppm2 6.777 CV 1 ASSI { 5433} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB1 )) 2.800 1.000 1.000 peak 5433 spectrum 1 weight 0.11000E+01 volume 0.13292E-02 ppm1 3.783 ppm2 3.024 CV 1 ASSI { 5437} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 8 and name HA )) 4.500 1.000 1.000 peak 5437 spectrum 1 weight 0.11000E+01 volume 0.29372E-02 ppm1 2.084 ppm2 4.551 CV 1 ASSI { 5441} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.800 1.000 1.000 peak 5441 spectrum 1 weight 0.11000E+01 volume 0.16529E-02 ppm1 2.098 ppm2 5.256 CV 1 ASSI { 5449} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HE21)) 4.400 1.000 1.000 peak 5449 spectrum 1 weight 0.11000E+01 volume 0.18616E-02 ppm1 3.364 ppm2 6.767 CV 1 ASSI { 5452} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HA )) 4.800 1.000 1.000 peak 5452 spectrum 1 weight 0.11000E+01 volume 0.15615E-02 ppm1 3.366 ppm2 4.085 CV 1 ASSI { 5454} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 5454 spectrum 1 weight 0.11000E+01 volume 0.32555E-02 ppm1 3.364 ppm2 2.464 CV 1 ASSI { 5458} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HB2 )) 1.800 0.200 0.400 peak 5458 spectrum 1 weight 0.11000E+01 volume 0.57675E-02 ppm1 2.220 ppm2 2.465 CV 1 ASSI { 5464} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HG2 )) 2.800 1.000 1.000 peak 5464 spectrum 1 weight 0.11000E+01 volume 0.44061E-02 ppm1 2.218 ppm2 2.348 CV 1 ASSI { 5465} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HE22)) 2.900 1.000 1.000 peak 5465 spectrum 1 weight 0.11000E+01 volume 0.11352E-02 ppm1 2.213 ppm2 7.527 CV 1 ASSI { 5466} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HE21)) 3.100 1.000 1.000 peak 5466 spectrum 1 weight 0.11000E+01 volume 0.12133E-02 ppm1 2.219 ppm2 6.789 CV 1 ASSI { 5468} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 75 and name HA )) 3.500 1.000 1.500 peak 5468 spectrum 1 weight 0.11000E+01 volume 0.12193E-02 ppm1 2.208 ppm2 4.087 CV 1 ASSI { 5469} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 5469 spectrum 1 weight 0.11000E+01 volume 0.64362E-02 ppm1 2.354 ppm2 2.463 CV 1 ASSI { 5470} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 5470 spectrum 1 weight 0.11000E+01 volume 0.79182E-02 ppm1 2.217 ppm2 2.466 CV 1 ASSI { 5472} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HG2 )) 1.800 0.200 0.700 peak 5472 spectrum 1 weight 0.11000E+01 volume 0.16730E-01 ppm1 2.214 ppm2 2.345 CV 1 ASSI { 5474} (( segid " " and resid 22 and name HG )) ( segid " " and resid 22 and name HD1%) 2.800 1.000 1.000 peak 5474 spectrum 1 weight 0.11000E+01 volume 0.84762E-03 ppm1 1.137 ppm2 -0.060 CV 1 ASSI { 5477} (( segid " " and resid 22 and name HG )) ( segid " " and resid 22 and name HD2%) 2.800 1.000 1.000 peak 5477 spectrum 1 weight 0.11000E+01 volume 0.15565E-02 ppm1 1.147 ppm2 0.589 CV 1 ASSI { 5480} (( segid " " and resid 41 and name HA1 )) ( segid " " and resid 46 and name HG1%) 3.500 1.000 1.500 peak 5480 spectrum 1 weight 0.11000E+01 volume 0.35941E-02 ppm1 3.569 ppm2 0.653 CV 1 ASSI { 5482} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HG1 )) 3.900 1.000 1.000 peak 5482 spectrum 1 weight 0.11000E+01 volume 0.27726E-02 ppm1 4.054 ppm2 1.977 CV 1 ASSI { 5486} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 5486 spectrum 1 weight 0.11000E+01 volume 0.42015E-02 ppm1 1.045 ppm2 4.333 CV 1 ASSI { 5487} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 5487 spectrum 1 weight 0.11000E+01 volume 0.16503E-02 ppm1 1.045 ppm2 4.206 CV 1 ASSI { 5488} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 102 and name HA )) 4.500 1.000 1.000 peak 5488 spectrum 1 weight 0.11000E+01 volume 0.10055E-02 ppm1 1.047 ppm2 5.317 CV 1 ASSI { 5491} ( segid " " and resid 135 and name HB% ) ( segid " " and resid 17 and name HD% ) 5.000 1.000 1.000 peak 5491 spectrum 1 weight 0.11000E+01 volume 0.10338E-02 ppm1 1.045 ppm2 7.350 CV 1 ASSI { 5495} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 104 and name HN )) 3.600 1.000 1.000 peak 5495 spectrum 1 weight 0.11000E+01 volume 0.20411E-02 ppm1 1.045 ppm2 9.146 CV 1 ASSI { 5496} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 132 and name HN )) 3.500 1.000 1.000 peak 5496 spectrum 1 weight 0.11000E+01 volume 0.16583E-02 ppm1 1.046 ppm2 9.039 CV 1 ASSI { 5500} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 102 and name HB2 )) 3.000 1.000 1.000 peak 5500 spectrum 1 weight 0.11000E+01 volume 0.11770E-02 ppm1 1.056 ppm2 2.774 CV 1 ASSI { 5502} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 102 and name HB1 )) 2.900 1.000 1.000 peak 5502 spectrum 1 weight 0.11000E+01 volume 0.22359E-02 ppm1 1.046 ppm2 2.321 CV 1 ASSI { 5503} ( segid " " and resid 135 and name HB% ) (( segid " " and resid 78 and name HB2 )) 3.700 1.000 1.000 peak 5503 spectrum 1 weight 0.11000E+01 volume 0.10967E-02 ppm1 1.049 ppm2 1.720 CV 1 ASSI { 5505} ( segid " " and resid 135 and name HB% ) ( segid " " and resid 78 and name HD1%) 3.600 1.000 1.500 peak 5505 spectrum 1 weight 0.11000E+01 volume 0.79720E-03 ppm1 1.045 ppm2 0.015 CV 1 ASSI { 5508} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 45 and name HA )) 5.000 1.500 1.000 peak 5508 spectrum 1 weight 0.11000E+01 volume 0.18037E-02 ppm1 0.656 ppm2 3.473 CV 1 ASSI { 5510} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HB )) 2.800 1.000 1.000 peak 5510 spectrum 1 weight 0.11000E+01 volume 0.82677E-02 ppm1 0.627 ppm2 1.956 CV 1 ASSI { 5511} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 5511 spectrum 1 weight 0.11000E+01 volume 0.47398E-02 ppm1 0.626 ppm2 4.444 CV 1 ASSI { 5513} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 81 and name HA )) 4.500 1.000 1.000 peak 5513 spectrum 1 weight 0.11000E+01 volume 0.15710E-02 ppm1 0.627 ppm2 4.816 CV 1 ASSI { 5515} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 127 and name HE% ) 3.100 1.000 2.000 peak 5515 spectrum 1 weight 0.11000E+01 volume 0.29144E-02 ppm1 0.629 ppm2 7.132 CV 1 ASSI { 5516} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 127 and name HD% ) 2.800 1.000 1.000 peak 5516 spectrum 1 weight 0.11000E+01 volume 0.32440E-02 ppm1 0.622 ppm2 7.039 CV 1 ASSI { 5517} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HN )) 2.800 1.000 1.000 peak 5517 spectrum 1 weight 0.11000E+01 volume 0.50864E-02 ppm1 0.626 ppm2 9.242 CV 1 ASSI { 5521} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG11)) 2.800 1.000 1.000 peak 5521 spectrum 1 weight 0.11000E+01 volume 0.98701E-02 ppm1 0.235 ppm2 0.369 CV 1 ASSI { 5522} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 42 and name HG1%) 5.300 1.000 1.000 peak 5522 spectrum 1 weight 0.11000E+01 volume 0.15471E-02 ppm1 0.238 ppm2 0.703 CV 1 ASSI { 5523} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 80 and name HG )) 3.500 1.000 1.500 peak 5523 spectrum 1 weight 0.11000E+01 volume 0.16038E-02 ppm1 0.239 ppm2 1.635 CV 1 ASSI { 5524} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HB )) 2.800 1.000 1.000 peak 5524 spectrum 1 weight 0.11000E+01 volume 0.71329E-02 ppm1 0.235 ppm2 1.511 CV 1 ASSI { 5525} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 80 and name HB1 )) 3.900 1.500 1.000 peak 5525 spectrum 1 weight 0.11000E+01 volume 0.32690E-02 ppm1 0.236 ppm2 1.382 CV 1 ASSI { 5526} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 80 and name HD2%) 2.800 1.000 1.000 peak 5526 spectrum 1 weight 0.11000E+01 volume 0.62404E-02 ppm1 0.232 ppm2 1.193 CV 1 ASSI { 5527} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG12)) 2.800 1.000 1.000 peak 5527 spectrum 1 weight 0.11000E+01 volume 0.75300E-02 ppm1 0.234 ppm2 1.052 CV 1 ASSI { 5529} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 80 and name HA )) 5.000 1.000 1.000 peak 5529 spectrum 1 weight 0.11000E+01 volume 0.10513E-02 ppm1 0.236 ppm2 4.801 CV 1 ASSI { 5530} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 99 and name HA )) 3.000 1.000 1.000 peak 5530 spectrum 1 weight 0.11000E+01 volume 0.10695E-02 ppm1 0.237 ppm2 4.439 CV 1 ASSI { 5531} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 5531 spectrum 1 weight 0.11000E+01 volume 0.11325E-02 ppm1 0.228 ppm2 4.318 CV 1 ASSI { 5534} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 5534 spectrum 1 weight 0.11000E+01 volume 0.46063E-02 ppm1 0.252 ppm2 7.065 CV 1 ASSI { 5536} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 5536 spectrum 1 weight 0.11000E+01 volume 0.59622E-02 ppm1 0.850 ppm2 4.446 CV 1 ASSI { 5537} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 46 and name HG1%) 5.300 1.300 1.000 peak 5537 spectrum 1 weight 0.11000E+01 volume 0.31961E-02 ppm1 2.803 ppm2 0.627 CV 1 ASSI { 5538} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HD1)) 2.800 1.000 1.000 peak 5538 spectrum 1 weight 0.11000E+01 volume 0.25540E-02 ppm1 4.856 ppm2 3.835 CV 1 ASSI { 5539} (( segid " " and resid 88 and name HA )) (( segid " " and resid 87 and name HA )) 4.500 1.000 1.000 peak 5539 spectrum 1 weight 0.11000E+01 volume 0.34620E-02 ppm1 4.852 ppm2 4.480 CV 1 ASSI { 5549} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 103 and name HG2%) 3.500 1.000 1.000 peak 5549 spectrum 1 weight 0.11000E+01 volume 0.39440E-02 ppm1 0.779 ppm2 3.577 CV 1 ASSI { 5551} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 103 and name HG2%) 3.500 1.000 1.000 peak 5551 spectrum 1 weight 0.11000E+01 volume 0.43850E-02 ppm1 0.782 ppm2 3.527 CV 1 ASSI { 5554} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HN )) 4.000 1.000 1.000 peak 5554 spectrum 1 weight 0.11000E+01 volume 0.16120E-02 ppm1 8.700 ppm2 1.475 CV 1 ASSI { 5555} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HG12)) 3.100 1.000 1.000 peak 5555 spectrum 1 weight 0.11000E+01 volume 0.24960E-02 ppm1 1.246 ppm2 0.627 CV 1 ASSI { 5556} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HG )) 3.700 1.000 1.000 peak 5556 spectrum 1 weight 0.11000E+01 volume 0.26200E-02 ppm1 1.233 ppm2 0.626 CV 1 ASSI { 5557} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 105 and name HE1 )) 5.400 1.500 0.600 peak 5557 spectrum 1 weight 0.11000E+01 volume 0.21130E-02 ppm1 2.816 ppm2 1.508 CV 1 ASSI { 5559} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 71 and name HG )) 4.700 1.000 1.000 peak 5559 spectrum 1 weight 0.11000E+01 volume 0.69430E-02 ppm1 1.316 ppm2 -0.454 CV 1 ASSI { 5560} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 78 and name HB1 )) 4.700 1.000 1.000 peak 5560 spectrum 1 weight 0.11000E+01 volume 0.69500E-02 ppm1 1.243 ppm2 -0.452 CV 1 ASSI { 5561} ( segid " " and resid 16 and name HG1%) (( segid " " and resid 15 and name HA )) 3.500 1.000 2.000 peak 5561 spectrum 1 weight 0.11000E+01 volume 0.15780E-02 ppm1 3.710 ppm2 0.510 CV 1 ASSI { 5562} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 102 and name HZ )) 3.400 1.000 1.000 peak 5562 spectrum 1 weight 0.11000E+01 volume 0.48510E-02 ppm1 6.598 ppm2 0.698 CV 1 ASSI { 5568} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 42 and name HG1%) 2.800 1.000 1.000 peak 5568 spectrum 1 weight 0.11000E+01 volume 0.70980E-02 ppm1 0.695 ppm2 -0.112 CV 1 ASSI { 5569} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 39 and name HD1 )) 4.600 1.000 1.000 peak 5569 spectrum 1 weight 0.11000E+01 volume 0.40750E-02 ppm1 3.025 ppm2 0.654 CV 1 ASSI { 5571} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 15 and name HA )) 3.400 1.000 1.000 peak 5571 spectrum 1 weight 0.11000E+01 volume 0.84010E-02 ppm1 3.711 ppm2 0.716 CV 1 ASSI { 5572} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 9 and name HA )) 3.300 1.000 1.000 peak 5572 spectrum 1 weight 0.11000E+01 volume 0.84010E-02 ppm1 3.709 ppm2 0.717 CV 1 ASSI { 5573} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 102 and name HZ )) 4.000 1.000 1.000 peak 5573 spectrum 1 weight 0.11000E+01 volume 0.35600E-02 ppm1 6.595 ppm2 0.915 CV 1 ASSI { 5574} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 82 and name HD% ) 4.600 1.000 1.000 peak 5574 spectrum 1 weight 0.11000E+01 volume 0.22380E-02 ppm1 6.751 ppm2 0.241 CV 1 ASSI { 5579} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 80 and name HD2%) 3.300 1.100 1.100 peak 5579 spectrum 1 weight 0.11000E+01 volume 0.45230E-02 ppm1 1.187 ppm2 0.913 CV 1 ASSI { 5580} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 19 and name HB1 )) 3.900 2.200 2.100 peak 5580 spectrum 1 weight 0.11000E+01 volume 0.43040E-02 ppm1 1.250 ppm2 0.913 CV 1 ASSI { 5582} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.800 1.000 1.000 peak 5582 spectrum 1 weight 0.11000E+01 volume 0.53830E-02 ppm1 0.577 ppm2 -0.022 CV 1 ASSI { 5583} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 110 and name HG2 )) 2.800 1.000 1.000 peak 5583 spectrum 1 weight 0.11000E+01 volume 0.33000E-02 ppm1 2.053 ppm2 1.231 CV 1 ASSI { 5584} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA1 )) 4.400 1.000 1.000 peak 5584 spectrum 1 weight 0.11000E+01 volume 0.21900E-02 ppm1 1.943 ppm2 3.472 CV 1 ASSI { 5586} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 66 and name HD1 )) 3.000 1.000 1.000 peak 5586 spectrum 1 weight 0.11000E+01 volume 0.22910E-02 ppm1 1.615 ppm2 2.671 CV 1 ASSI { 5587} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 39 and name HD2 )) 3.700 1.000 1.000 peak 5587 spectrum 1 weight 0.11000E+01 volume 0.40750E-02 ppm1 3.027 ppm2 0.654 CV 1 ASSI { 5588} (( segid " " and resid 40 and name HA )) ( segid " " and resid 46 and name HG2%) 3.500 1.000 1.000 peak 5588 spectrum 1 weight 0.11000E+01 volume 0.16880E-02 ppm1 0.655 ppm2 5.077 CV 1 ASSI { 5589} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 95 and name HA )) 4.600 1.000 1.000 peak 5589 spectrum 1 weight 0.11000E+01 volume 0.14960E-02 ppm1 4.808 ppm2 1.566 CV 1 ASSI { 5590} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 74 and name HG2%) 4.100 1.500 1.500 peak 5590 spectrum 1 weight 0.11000E+01 volume 0.22890E-02 ppm1 0.705 ppm2 2.393 CV 1 ASSI { 5593} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 22 and name HB2 )) 4.500 1.500 1.500 peak 5593 spectrum 1 weight 0.11000E+01 volume 0.30350E-02 ppm1 1.672 ppm2 0.915 CV 1 ASSI { 5594} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 23 and name HD1 )) 4.800 1.500 1.200 peak 5594 spectrum 1 weight 0.11000E+01 volume 0.30350E-02 ppm1 1.659 ppm2 0.913 CV 1 ASSI { 5595} (( segid " " and resid 40 and name HA )) ( segid " " and resid 55 and name HB% ) 3.300 1.000 1.000 peak 5595 spectrum 1 weight 0.11000E+01 volume 0.18710E-02 ppm1 1.231 ppm2 5.071 CV 1 ASSI { 5596} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 131 and name HB1 )) 2.800 1.500 1.500 peak 5596 spectrum 1 weight 0.11000E+01 volume 0.10340E-02 ppm1 2.801 ppm2 1.760 CV 1 ASSI { 5598} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 42 and name HG1%) 2.800 1.000 1.500 peak 5598 spectrum 1 weight 0.11000E+01 volume 0.31580E-02 ppm1 0.696 ppm2 -0.456 CV 1 ASSI { 5599} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HG1 )) 3.900 1.000 1.000 peak 5599 spectrum 1 weight 0.11000E+01 volume 0.17660E-02 ppm1 2.078 ppm2 1.475 CV 1 ASSI { 5600} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 68 and name HN )) 4.400 1.500 1.500 peak 5600 spectrum 1 weight 0.11000E+01 volume 0.18730E-02 ppm1 7.223 ppm2 1.184 CV 1
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