NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
24677 | 2k43 | 15783 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 2} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD2%) 5.400 3.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14563E-03 ppm1 10.298 ppm2 0.544 CV 1 ASSI { 11} (( segid " " and resid 2 and name HN )) (( segid " " and resid 132 and name HN )) 3.300 3.300 2.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.17524E-02 ppm1 7.979 ppm2 8.188 CV 1 ASSI { 16} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 2.300 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.79964E-02 ppm1 7.969 ppm2 4.588 CV 1 ASSI { 20} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB2 )) 3.800 1.800 1.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.50020E-03 ppm1 7.963 ppm2 2.908 CV 1 ASSI { 27} (( segid " " and resid 5 and name HN )) (( segid " " and resid 130 and name HN )) 3.700 1.800 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.84728E-03 ppm1 9.372 ppm2 7.986 CV 1 ASSI { 29} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HA )) 1.900 1.900 4.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.48319E-02 ppm1 9.359 ppm2 4.597 CV 1 ASSI { 34} (( segid " " and resid 5 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.100 3.100 2.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.31373E-02 ppm1 9.361 ppm2 1.670 CV 1 ASSI { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 128 and name HN )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.13271E-02 ppm1 8.946 ppm2 9.683 CV 1 ASSI { 41} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 5.400 3.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.11365E-03 ppm1 8.932 ppm2 8.495 CV 1 ASSI { 45} (( segid " " and resid 6 and name HN )) (( segid " " and resid 39 and name HB3 )) 2.700 2.700 3.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.56825E-02 ppm1 8.943 ppm2 1.676 CV 1 ASSI { 47} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD1%) 4.200 2.200 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.70436E-03 ppm1 8.944 ppm2 0.755 CV 1 ASSI { 51} (( segid " " and resid 8 and name HN )) (( segid " " and resid 126 and name HN )) 4.600 2.600 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.12182E-03 ppm1 8.516 ppm2 9.935 CV 1 ASSI { 54} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.53763E-03 ppm1 8.491 ppm2 5.387 CV 1 ASSI { 58} (( segid " " and resid 8 and name HN )) (( segid " " and resid 125 and name HB2 )) 4.200 2.200 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.30489E-03 ppm1 8.488 ppm2 2.818 CV 1 ASSI { 60} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB3 )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.22118E-02 ppm1 8.492 ppm2 1.897 CV 1 ASSI { 63} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.700 2.700 3.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.57506E-02 ppm1 8.485 ppm2 1.229 CV 1 ASSI { 68} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HD2%) 5.400 3.700 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.10923E-03 ppm1 9.244 ppm2 0.653 CV 1 ASSI { 70} (( segid " " and resid 9 and name HN )) (( segid " " and resid 125 and name HB2 )) 4.200 2.200 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.56825E-03 ppm1 9.240 ppm2 2.796 CV 1 ASSI { 75} (( segid " " and resid 9 and name HN )) (( segid " " and resid 14 and name HN )) 3.600 3.600 2.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.77241E-03 ppm1 9.237 ppm2 6.315 CV 1 ASSI { 80} (( segid " " and resid 10 and name HN )) (( segid " " and resid 126 and name HN )) 4.600 2.600 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.32973E-03 ppm1 8.178 ppm2 9.950 CV 1 ASSI { 83} (( segid " " and resid 10 and name HN )) (( segid " " and resid 107 and name HN )) 3.000 3.000 3.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.19974E-02 ppm1 8.174 ppm2 7.354 CV 1 ASSI { 89} (( segid " " and resid 10 and name HN )) (( segid " " and resid 107 and name HA )) 5.000 3.100 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14972E-03 ppm1 8.180 ppm2 4.680 CV 1 ASSI { 93} (( segid " " and resid 10 and name HN )) (( segid " " and resid 107 and name HB2 )) 5.600 3.900 0.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.49679E-04 ppm1 8.171 ppm2 2.759 CV 1 ASSI { 101} (( segid " " and resid 13 and name HN )) (( segid " " and resid 106 and name HE2 )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.42194E-02 ppm1 7.104 ppm2 3.083 CV 1 ASSI { 112} (( segid " " and resid 14 and name HN )) (( segid " " and resid 107 and name HN )) 3.200 3.200 2.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.22152E-02 ppm1 6.314 ppm2 7.367 CV 1 ASSI { 113} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.30897E-02 ppm1 6.304 ppm2 7.110 CV 1 ASSI { 115} (( segid " " and resid 14 and name HN )) (( segid " " and resid 107 and name HA )) 3.300 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 6.305 ppm2 4.691 CV 1 ASSI { 119} (( segid " " and resid 14 and name HN )) (( segid " " and resid 106 and name HE2 )) 3.100 1.200 1.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 6.306 ppm2 3.082 CV 1 ASSI { 129} (( segid " " and resid 15 and name HN )) (( segid " " and resid 27 and name HB )) 3.300 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.30727E-02 ppm1 9.297 ppm2 3.978 CV 1 ASSI { 130} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HD3 )) 3.900 3.900 2.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.84728E-03 ppm1 9.300 ppm2 3.433 CV 1 ASSI { 134} (( segid " " and resid 15 and name HN )) (( segid " " and resid 106 and name HG2 )) 4.600 2.600 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.19158E-03 ppm1 9.296 ppm2 1.524 CV 1 ASSI { 135} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.400 2.400 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.41173E-03 ppm1 9.298 ppm2 1.241 CV 1 ASSI { 145} (( segid " " and resid 16 and name HN )) (( segid " " and resid 25 and name HA )) 6.000 5.400 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.39812E-04 ppm1 8.481 ppm2 4.306 CV 1 ASSI { 154} (( segid " " and resid 17 and name HN )) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.64992E-03 ppm1 9.340 ppm2 8.920 CV 1 ASSI { 155} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 5.200 3.400 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.18987E-03 ppm1 9.334 ppm2 8.493 CV 1 ASSI { 157} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 4.200 2.200 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.43895E-03 ppm1 9.341 ppm2 6.993 CV 1 ASSI { 158} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 4.900 3.000 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.34027E-03 ppm1 9.341 ppm2 5.404 CV 1 ASSI { 160} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.31849E-02 ppm1 9.342 ppm2 4.696 CV 1 ASSI { 161} (( segid " " and resid 17 and name HN )) (( segid " " and resid 23 and name HB )) 2.700 2.700 3.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.50360E-02 ppm1 9.341 ppm2 4.203 CV 1 ASSI { 162} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HD3 )) 4.700 2.800 1.300 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12487E-03 ppm1 9.342 ppm2 3.419 CV 1 ASSI { 165} (( segid " " and resid 17 and name HN )) (( segid " " and resid 106 and name HB3 )) 5.900 4.300 0.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.91873E-04 ppm1 9.340 ppm2 1.744 CV 1 ASSI { 168} (( segid " " and resid 17 and name HN )) ( segid " " and resid 37 and name HD2%) 2.900 2.900 3.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.34368E-02 ppm1 9.340 ppm2 0.575 CV 1 ASSI { 178} (( segid " " and resid 18 and name HN )) (( segid " " and resid 54 and name HA )) 2.700 2.700 3.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.92894E-02 ppm1 6.996 ppm2 4.673 CV 1 ASSI { 182} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 5.000 3.200 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.19429E-03 ppm1 6.983 ppm2 8.929 CV 1 ASSI { 184} (( segid " " and resid 18 and name HN )) (( segid " " and resid 34 and name HN )) 6.000 5.600 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.40833E-04 ppm1 6.996 ppm2 9.677 CV 1 ASSI { 202} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HB )) 5.200 3.300 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.12590E-03 ppm1 7.413 ppm2 1.639 CV 1 ASSI { 211} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HA2 )) 4.700 2.800 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.74180E-03 ppm1 7.427 ppm2 4.629 CV 1 ASSI { 215} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 3.600 1.600 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 7.408 ppm2 7.885 CV 1 ASSI { 216} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.36068E-02 ppm1 7.411 ppm2 8.412 CV 1 ASSI { 217} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HN )) 5.000 3.200 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 7.418 ppm2 8.922 CV 1 ASSI { 227} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HA )) 3.500 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 8.409 ppm2 4.481 CV 1 ASSI { 249} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.600 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.24295E-02 ppm1 7.899 ppm2 8.416 CV 1 ASSI { 250} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 7.898 ppm2 8.930 CV 1 ASSI { 254} (( segid " " and resid 24 and name HN )) (( segid " " and resid 69 and name HA )) 3.000 3.000 3.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.23070E-02 ppm1 7.796 ppm2 4.950 CV 1 ASSI { 255} (( segid " " and resid 24 and name HN )) (( segid " " and resid 68 and name HA2 )) 3.700 3.700 2.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.66013E-03 ppm1 7.793 ppm2 4.690 CV 1 ASSI { 269} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HB )) 3.000 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.17898E-02 ppm1 8.907 ppm2 4.199 CV 1 ASSI { 270} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) 1.900 1.900 4.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.51721E-02 ppm1 8.922 ppm2 4.503 CV 1 ASSI { 276} (( segid " " and resid 26 and name HN )) (( segid " " and resid 110 and name HN )) 4.900 3.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.25112E-03 ppm1 7.892 ppm2 9.078 CV 1 ASSI { 280} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 5.200 3.300 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.12794E-03 ppm1 7.893 ppm2 8.909 CV 1 ASSI { 281} (( segid " " and resid 26 and name HN )) (( segid " " and resid 15 and name HN )) 6.000 5.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.87790E-04 ppm1 7.895 ppm2 9.313 CV 1 ASSI { 285} (( segid " " and resid 26 and name HN )) (( segid " " and resid 110 and name HB3 )) 5.000 3.200 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.15210E-03 ppm1 7.892 ppm2 3.218 CV 1 ASSI { 291} (( segid " " and resid 26 and name HN )) ( segid " " and resid 7 and name HD2%) 3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 7.894 ppm2 0.522 CV 1 ASSI { 293} (( segid " " and resid 27 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.700 2.700 3.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.47298E-02 ppm1 8.530 ppm2 1.240 CV 1 ASSI { 294} (( segid " " and resid 27 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.500 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.27936E-02 ppm1 8.532 ppm2 2.503 CV 1 ASSI { 296} (( segid " " and resid 27 and name HN )) (( segid " " and resid 17 and name HD3 )) 5.000 3.100 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.89151E-04 ppm1 8.535 ppm2 3.420 CV 1 ASSI { 297} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB )) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.13441E-02 ppm1 8.532 ppm2 3.969 CV 1 ASSI { 301} (( segid " " and resid 27 and name HN )) (( segid " " and resid 15 and name HA )) 2.900 2.900 3.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.37770E-02 ppm1 8.531 ppm2 5.408 CV 1 ASSI { 305} (( segid " " and resid 27 and name HN )) (( segid " " and resid 15 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 8.531 ppm2 9.305 CV 1 ASSI { 308} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 4.600 2.600 1.400 peak 308 spectrum 1 weight 0.10000E+01 volume 0.20858E-03 ppm1 8.991 ppm2 8.545 CV 1 ASSI { 311} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.300 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.74180E-03 ppm1 8.986 ppm2 4.680 CV 1 ASSI { 320} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB3 )) 4.300 2.300 1.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.20246E-03 ppm1 8.324 ppm2 1.774 CV 1 ASSI { 321} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) 4.200 2.200 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.96637E-03 ppm1 8.324 ppm2 2.064 CV 1 ASSI { 325} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.100 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.69755E-02 ppm1 8.328 ppm2 4.673 CV 1 ASSI { 333} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 3.200 1.300 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 8.343 ppm2 8.999 CV 1 ASSI { 338} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HA )) 3.500 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.23683E-02 ppm1 8.382 ppm2 4.266 CV 1 ASSI { 349} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB2 )) 4.300 2.300 1.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.50700E-03 ppm1 7.104 ppm2 1.637 CV 1 ASSI { 350} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HB2 )) 1.700 1.700 4.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.96297E-02 ppm1 7.103 ppm2 1.330 CV 1 ASSI { 352} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HD2 )) 2.700 2.700 3.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.47298E-03 ppm1 7.106 ppm2 3.108 CV 1 ASSI { 361} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.400 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.53763E-02 ppm1 7.101 ppm2 8.382 CV 1 ASSI { 362} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 3.100 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.15108E-02 ppm1 7.103 ppm2 8.842 CV 1 ASSI { 363} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 8.782 ppm2 9.686 CV 1 ASSI { 366} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 4.500 2.600 1.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.45937E-03 ppm1 8.781 ppm2 7.113 CV 1 ASSI { 367} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HN )) 4.000 2.000 2.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11978E-02 ppm1 8.779 ppm2 6.722 CV 1 ASSI { 385} (( segid " " and resid 34 and name HN )) (( segid " " and resid 17 and name HA )) 3.900 1.900 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 9.685 ppm2 4.726 CV 1 ASSI { 387} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.50360E-03 ppm1 9.684 ppm2 7.119 CV 1 ASSI { 390} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HE21)) 2.700 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 6.723 ppm2 7.429 CV 1 ASSI { 393} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.21641E-02 ppm1 6.702 ppm2 9.687 CV 1 ASSI { 396} (( segid " " and resid 35 and name HN )) (( segid " " and resid 17 and name HA )) 2.700 2.700 3.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.45937E-02 ppm1 6.713 ppm2 4.708 CV 1 ASSI { 399} (( segid " " and resid 35 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.200 3.200 2.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.24568E-02 ppm1 6.703 ppm2 2.661 CV 1 ASSI { 402} (( segid " " and resid 35 and name HN )) (( segid " " and resid 30 and name HB3 )) 6.000 4.700 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.27222E-04 ppm1 6.710 ppm2 1.761 CV 1 ASSI { 404} (( segid " " and resid 35 and name HN )) ( segid " " and resid 6 and name HD1%) 2.700 2.700 3.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.49339E-02 ppm1 6.705 ppm2 0.761 CV 1 ASSI { 409} (( segid " " and resid 36 and name HN )) (( segid " " and resid 4 and name HB3 )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.24873E-02 ppm1 7.126 ppm2 2.177 CV 1 ASSI { 413} (( segid " " and resid 36 and name HN )) (( segid " " and resid 6 and name HA )) 2.900 2.900 3.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.25078E-02 ppm1 7.133 ppm2 5.001 CV 1 ASSI { 415} (( segid " " and resid 36 and name HN )) (( segid " " and resid 55 and name HA2 )) 5.200 3.300 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.98679E-04 ppm1 7.121 ppm2 4.140 CV 1 ASSI { 417} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB3 )) 5.300 3.500 0.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.95276E-04 ppm1 7.128 ppm2 3.959 CV 1 ASSI { 418} (( segid " " and resid 36 and name HN )) (( segid " " and resid 54 and name HA )) 2.900 2.900 3.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.46617E-02 ppm1 7.126 ppm2 4.693 CV 1 ASSI { 422} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.600 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.21028E-02 ppm1 7.125 ppm2 6.712 CV 1 ASSI { 423} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HN )) 4.100 2.100 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.44575E-03 ppm1 7.129 ppm2 9.686 CV 1 ASSI { 424} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 3.800 1.900 1.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.65672E-03 ppm1 7.128 ppm2 9.120 CV 1 ASSI { 425} (( segid " " and resid 37 and name HN )) (( segid " " and resid 5 and name HN )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 9.105 ppm2 9.357 CV 1 ASSI { 427} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.50360E-04 ppm1 9.105 ppm2 9.574 CV 1 ASSI { 432} (( segid " " and resid 37 and name HN )) (( segid " " and resid 55 and name HA2 )) 2.800 2.800 3.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.48659E-02 ppm1 9.103 ppm2 4.144 CV 1 ASSI { 433} (( segid " " and resid 37 and name HN )) (( segid " " and resid 4 and name HB3 )) 4.900 3.000 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.12556E-03 ppm1 9.106 ppm2 2.177 CV 1 ASSI { 435} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.800 2.800 3.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.26678E-02 ppm1 9.102 ppm2 1.798 CV 1 ASSI { 451} (( segid " " and resid 38 and name HN )) (( segid " " and resid 50 and name HN )) 3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.88131E-03 ppm1 9.563 ppm2 8.522 CV 1 ASSI { 455} (( segid " " and resid 39 and name HN )) (( segid " " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.53763E-03 ppm1 8.930 ppm2 1.973 CV 1 ASSI { 456} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.12352E-02 ppm1 8.928 ppm2 1.579 CV 1 ASSI { 465} (( segid " " and resid 40 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 8.570 ppm2 8.413 CV 1 ASSI { 476} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.500 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.30182E-02 ppm1 8.570 ppm2 1.564 CV 1 ASSI { 477} (( segid " " and resid 40 and name HN )) (( segid " " and resid 50 and name HD2 )) 6.000 5.600 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17830E-04 ppm1 8.568 ppm2 1.283 CV 1 ASSI { 478} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD2%) 3.200 1.300 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25657E-02 ppm1 8.571 ppm2 0.778 CV 1 ASSI { 480} (( segid " " and resid 80 and name HN )) (( segid " " and resid 93 and name HG2 )) 3.000 3.000 3.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.58867E-02 ppm1 8.362 ppm2 1.213 CV 1 ASSI { 481} (( segid " " and resid 30 and name HN )) ( segid " " and resid 6 and name HD1%) 3.100 3.100 2.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.25419E-02 ppm1 8.349 ppm2 0.757 CV 1 ASSI { 487} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.20791E-02 ppm1 8.361 ppm2 4.887 CV 1 ASSI { 488} (( segid " " and resid 82 and name HN )) (( segid " " and resid 89 and name HB )) 3.400 1.500 1.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 8.334 ppm2 4.569 CV 1 ASSI { 494} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 4.500 2.600 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.37089E-03 ppm1 8.345 ppm2 9.049 CV 1 ASSI { 508} (( segid " " and resid 8 and name HN )) ( segid " " and resid 6 and name HD1%) 3.300 1.400 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.86770E-03 ppm1 8.492 ppm2 0.774 CV 1 ASSI { 524} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.68055E-02 ppm1 8.027 ppm2 8.498 CV 1 ASSI { 525} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.12079E-02 ppm1 8.118 ppm2 8.822 CV 1 ASSI { 530} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.600 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.84728E-02 ppm1 8.119 ppm2 3.703 CV 1 ASSI { 537} (( segid " " and resid 45 and name HN )) (( segid " " and resid 80 and name HB2 )) 4.100 2.100 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.73499E-03 ppm1 8.816 ppm2 1.928 CV 1 ASSI { 543} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.41173E-02 ppm1 7.987 ppm2 8.822 CV 1 ASSI { 544} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.90512E-03 ppm1 7.987 ppm2 9.556 CV 1 ASSI { 552} (( segid " " and resid 46 and name HN )) (( segid " " and resid 93 and name HE2 )) 5.500 3.800 0.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.72478E-04 ppm1 7.973 ppm2 2.905 CV 1 ASSI { 561} (( segid " " and resid 47 and name HN )) (( segid " " and resid 77 and name HB3 )) 4.300 2.400 1.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.22492E-03 ppm1 9.565 ppm2 1.413 CV 1 ASSI { 563} (( segid " " and resid 47 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.400 1.400 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.20383E-02 ppm1 9.559 ppm2 1.940 CV 1 ASSI { 578} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 4.200 2.200 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.51721E-03 ppm1 8.404 ppm2 10.548 CV 1 ASSI { 580} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.34708E-03 ppm1 8.410 ppm2 9.546 CV 1 ASSI { 591} (( segid " " and resid 48 and name HN )) ( segid " " and resid 39 and name HD2%) 2.800 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.32904E-02 ppm1 8.413 ppm2 0.794 CV 1 ASSI { 598} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HA )) 3.900 1.900 1.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 8.507 ppm2 5.434 CV 1 ASSI { 605} (( segid " " and resid 50 and name HN )) ( segid " " and resid 39 and name HD2%) 3.000 1.200 1.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.25861E-03 ppm1 8.503 ppm2 0.779 CV 1 ASSI { 618} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.100 2.100 3.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.95956E-02 ppm1 8.897 ppm2 4.675 CV 1 ASSI { 621} (( segid " " and resid 97 and name HN )) (( segid " " and resid 99 and name HN )) 4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.51041E-03 ppm1 8.854 ppm2 7.845 CV 1 ASSI { 624} (( segid " " and resid 52 and name HN )) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.37770E-03 ppm1 8.349 ppm2 9.552 CV 1 ASSI { 632} (( segid " " and resid 52 and name HN )) (( segid " " and resid 38 and name HG2 )) 2.700 2.700 3.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.77582E-02 ppm1 8.334 ppm2 2.054 CV 1 ASSI { 633} (( segid " " and resid 52 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.400 2.400 3.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.52742E-02 ppm1 8.350 ppm2 1.785 CV 1 ASSI { 635} (( segid " " and resid 52 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.49339E-02 ppm1 8.348 ppm2 1.045 CV 1 ASSI { 640} (( segid " " and resid 53 and name HN )) (( segid " " and resid 36 and name HG2 )) 2.900 1.000 1.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 8.324 ppm2 2.078 CV 1 ASSI { 641} (( segid " " and resid 53 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.100 2.100 3.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 8.326 ppm2 1.783 CV 1 ASSI { 644} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB )) 2.200 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.29502E-02 ppm1 8.325 ppm2 4.177 CV 1 ASSI { 647} (( segid " " and resid 53 and name HN )) (( segid " " and resid 36 and name HN )) 4.500 2.600 1.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.58186E-03 ppm1 8.328 ppm2 7.139 CV 1 ASSI { 654} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.21471E-02 ppm1 7.722 ppm2 8.331 CV 1 ASSI { 658} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.51041E-02 ppm1 7.723 ppm2 4.688 CV 1 ASSI { 659} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB )) 3.700 1.700 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 7.722 ppm2 4.185 CV 1 ASSI { 660} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB )) 3.600 1.600 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.67034E-03 ppm1 7.723 ppm2 4.544 CV 1 ASSI { 664} (( segid " " and resid 54 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 7.723 ppm2 2.088 CV 1 ASSI { 671} (( segid " " and resid 55 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.200 2.200 1.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 7.648 ppm2 1.028 CV 1 ASSI { 683} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HN )) 3.400 1.500 1.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.57506E-03 ppm1 7.652 ppm2 8.333 CV 1 ASSI { 687} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HA )) 2.900 1.100 1.100 peak 687 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 7.201 ppm2 4.684 CV 1 ASSI { 693} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.59548E-03 ppm1 7.200 ppm2 8.929 CV 1 ASSI { 707} (( segid " " and resid 57 and name HN )) (( segid " " and resid 72 and name HA )) 2.900 2.900 3.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.41513E-02 ppm1 9.259 ppm2 4.187 CV 1 ASSI { 708} (( segid " " and resid 57 and name HN )) (( segid " " and resid 68 and name HA2 )) 3.400 1.400 1.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.66013E-03 ppm1 9.258 ppm2 4.687 CV 1 ASSI { 710} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HE21)) 2.600 2.600 3.400 peak 710 spectrum 1 weight 0.10000E+01 volume 0.33177E-02 ppm1 9.253 ppm2 7.002 CV 1 ASSI { 718} (( segid " " and resid 58 and name HN )) (( segid " " and resid 68 and name HA2 )) 2.800 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.45256E-02 ppm1 9.129 ppm2 4.687 CV 1 ASSI { 724} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HD1%) 3.300 1.400 1.400 peak 724 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 9.129 ppm2 0.432 CV 1 ASSI { 737} (( segid " " and resid 59 and name HN )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11365E-02 ppm1 8.655 ppm2 5.014 CV 1 ASSI { 738} (( segid " " and resid 59 and name HN )) (( segid " " and resid 68 and name HA2 )) 5.500 3.700 0.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10617E-03 ppm1 8.653 ppm2 4.687 CV 1 ASSI { 739} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HE21)) 4.600 2.600 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.46277E-03 ppm1 8.655 ppm2 7.019 CV 1 ASSI { 741} (( segid " " and resid 59 and name HN )) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 8.657 ppm2 9.233 CV 1 ASSI { 742} (( segid " " and resid 59 and name HN )) (( segid " " and resid 69 and name HN )) 5.800 4.200 0.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.15653E-03 ppm1 8.656 ppm2 9.614 CV 1 ASSI { 755} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.600 2.600 3.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.32428E-02 ppm1 7.512 ppm2 2.391 CV 1 ASSI { 760} (( segid " " and resid 61 and name HN )) ( segid " " and resid 66 and name HD1%) 4.300 2.300 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 9.157 ppm2 1.436 CV 1 OR { 760} (( segid " " and resid 61 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 764} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.700 3.700 2.300 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 9.158 ppm2 2.748 CV 1 ASSI { 770} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 4.900 3.000 1.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.24703E-03 ppm1 9.167 ppm2 7.504 CV 1 ASSI { 773} (( segid " " and resid 61 and name HN )) (( segid " " and resid 65 and name HN )) 3.500 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.60909E-03 ppm1 9.156 ppm2 8.640 CV 1 ASSI { 775} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.000 3.000 3.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.35729E-02 ppm1 7.971 ppm2 2.744 CV 1 ASSI { 787} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 4.400 2.400 1.600 peak 787 spectrum 1 weight 0.10000E+01 volume 0.26711E-03 ppm1 7.968 ppm2 9.149 CV 1 ASSI { 788} (( segid " " and resid 62 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 2.800 3.200 peak 788 spectrum 1 weight 0.10000E+01 volume 0.38451E-02 ppm1 7.971 ppm2 1.340 CV 1 ASSI { 790} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HB2 )) 5.000 3.100 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.29264E-03 ppm1 8.343 ppm2 1.556 CV 1 ASSI { 794} (( segid " " and resid 63 and name HN )) (( segid " " and resid 94 and name HG2 )) 4.800 2.800 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.85408E-04 ppm1 8.341 ppm2 0.944 CV 1 ASSI { 801} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.23581E-02 ppm1 8.348 ppm2 7.975 CV 1 ASSI { 803} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) 3.500 1.500 1.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.28991E-02 ppm1 8.346 ppm2 8.630 CV 1 ASSI { 807} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HN )) 4.600 2.700 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.17933E-03 ppm1 8.269 ppm2 9.168 CV 1 ASSI { 808} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.32258E-02 ppm1 8.264 ppm2 8.652 CV 1 ASSI { 823} (( segid " " and resid 64 and name HN )) ( segid " " and resid 66 and name HD1%) 4.300 2.400 1.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.31952E-03 ppm1 8.270 ppm2 1.434 CV 1 OR { 823} (( segid " " and resid 64 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 825} (( segid " " and resid 64 and name HN )) (( segid " " and resid 94 and name HG2 )) 4.500 2.500 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.27256E-03 ppm1 8.272 ppm2 0.946 CV 1 ASSI { 845} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 4.600 2.600 1.400 peak 845 spectrum 1 weight 0.10000E+01 volume 0.23104E-03 ppm1 7.422 ppm2 8.638 CV 1 ASSI { 846} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 4.500 2.500 1.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.32326E-03 ppm1 7.425 ppm2 9.220 CV 1 ASSI { 856} (( segid " " and resid 66 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.500 3.500 2.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.98339E-03 ppm1 7.423 ppm2 1.650 CV 1 ASSI { 857} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HD1%) 2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.26711E-02 ppm1 7.425 ppm2 1.426 CV 1 OR { 857} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 870} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA2 )) 5.100 3.300 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.11808E-03 ppm1 9.232 ppm2 4.683 CV 1 ASSI { 874} (( segid " " and resid 67 and name HN )) (( segid " " and resid 56 and name HE21)) 4.100 2.100 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.46277E-03 ppm1 9.235 ppm2 7.030 CV 1 ASSI { 876} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 5.900 4.400 0.100 peak 876 spectrum 1 weight 0.10000E+01 volume 0.66693E-04 ppm1 9.251 ppm2 8.934 CV 1 ASSI { 879} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 8.921 ppm2 9.610 CV 1 ASSI { 880} (( segid " " and resid 68 and name HN )) (( segid " " and resid 57 and name HN )) 4.600 2.700 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.20076E-03 ppm1 8.928 ppm2 9.271 CV 1 ASSI { 883} (( segid " " and resid 68 and name HN )) (( segid " " and resid 56 and name HE21)) 3.200 1.300 1.300 peak 883 spectrum 1 weight 0.10000E+01 volume 0.15380E-02 ppm1 8.923 ppm2 7.020 CV 1 ASSI { 894} (( segid " " and resid 69 and name HN )) (( segid " " and resid 58 and name HG )) 3.900 3.900 2.100 peak 894 spectrum 1 weight 0.10000E+01 volume 0.54784E-04 ppm1 9.622 ppm2 1.734 CV 1 ASSI { 909} (( segid " " and resid 69 and name HN )) (( segid " " and resid 56 and name HE21)) 2.700 2.700 3.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.49679E-03 ppm1 9.620 ppm2 7.007 CV 1 ASSI { 910} (( segid " " and resid 69 and name HN )) (( segid " " and resid 57 and name HN )) 3.300 1.400 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.90172E-03 ppm1 9.614 ppm2 9.265 CV 1 ASSI { 934} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 2.600 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.37430E-02 ppm1 7.531 ppm2 9.343 CV 1 ASSI { 935} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HN )) 4.800 2.900 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.13679E-03 ppm1 7.531 ppm2 9.613 CV 1 ASSI { 942} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 3.000 3.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.19055E-02 ppm1 7.532 ppm2 4.172 CV 1 ASSI { 956} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB3 )) 4.100 2.100 1.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.13747E-02 ppm1 7.333 ppm2 1.322 CV 1 ASSI { 958} (( segid " " and resid 73 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.200 2.200 3.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.17933E-02 ppm1 7.326 ppm2 2.815 CV 1 ASSI { 966} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HN )) 3.300 1.400 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 7.318 ppm2 7.715 CV 1 ASSI { 967} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 3.500 1.600 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.63290E-03 ppm1 7.325 ppm2 8.576 CV 1 ASSI { 971} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 1.800 0.400 0.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.33823E-02 ppm1 8.577 ppm2 7.728 CV 1 ASSI { 980} (( segid " " and resid 75 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.100 3.100 2.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.36409E-02 ppm1 8.577 ppm2 2.189 CV 1 ASSI { 986} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HG )) 4.800 2.900 1.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.19633E-03 ppm1 7.726 ppm2 1.277 CV 1 ASSI { 987} (( segid " " and resid 76 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.400 3.400 2.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 7.737 ppm2 1.043 CV 1 ASSI { 989} (( segid " " and resid 76 and name HN )) (( segid " " and resid 60 and name HB2 )) 5.000 3.100 1.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.12250E-03 ppm1 7.720 ppm2 2.186 CV 1 ASSI { 998} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.32734E-02 ppm1 7.727 ppm2 6.240 CV 1 ASSI { 1004} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 4.600 2.700 1.400 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.43554E-03 ppm1 6.234 ppm2 9.066 CV 1 ASSI { 1005} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.52061E-03 ppm1 6.234 ppm2 8.591 CV 1 ASSI { 1010} (( segid " " and resid 77 and name HN )) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.63290E-03 ppm1 6.235 ppm2 5.306 CV 1 ASSI { 1026} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) 4.400 2.400 1.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 9.061 ppm2 1.288 CV 1 ASSI { 1030} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.000 1.100 1.100 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 9.041 ppm2 2.801 CV 1 ASSI { 1033} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) 4.300 2.300 1.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.22152E-03 ppm1 9.065 ppm2 4.700 CV 1 ASSI { 1038} (( segid " " and resid 78 and name HN )) (( segid " " and resid 93 and name HN )) 4.900 3.000 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.28311E-03 ppm1 9.064 ppm2 8.010 CV 1 ASSI { 1040} (( segid " " and resid 78 and name HN )) (( segid " " and resid 47 and name HN )) 3.000 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.12828E-02 ppm1 9.065 ppm2 9.559 CV 1 ASSI { 1041} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 5.800 4.200 0.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.55124E-04 ppm1 9.069 ppm2 9.972 CV 1 ASSI { 1048} (( segid " " and resid 79 and name HN )) (( segid " " and resid 93 and name HB3 )) 4.400 2.400 1.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.87110E-03 ppm1 9.966 ppm2 1.771 CV 1 ASSI { 1052} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 6.000 6.000 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.46617E-05 ppm1 9.962 ppm2 2.792 CV 1 ASSI { 1055} (( segid " " and resid 80 and name HN )) (( segid " " and resid 93 and name HG2 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.80985E-03 ppm1 8.357 ppm2 1.202 CV 1 OR { 1055} (( segid " " and resid 80 and name HN )) (( segid " " and resid 93 and name HB2 )) ASSI { 1067} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 4.600 2.600 1.400 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.39472E-03 ppm1 8.353 ppm2 8.834 CV 1 ASSI { 1070} (( segid " " and resid 81 and name HN )) (( segid " " and resid 89 and name HN )) 3.000 1.100 1.100 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.843 ppm2 8.382 CV 1 ASSI { 1075} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 2.900 2.900 3.100 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.73159E-02 ppm1 8.842 ppm2 4.698 CV 1 ASSI { 1078} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG )) 2.600 2.600 3.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.60228E-02 ppm1 8.842 ppm2 1.725 CV 1 ASSI { 1079} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 4.300 2.300 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.52742E-03 ppm1 8.847 ppm2 1.937 CV 1 ASSI { 1095} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 8.334 ppm2 8.380 CV 1 ASSI { 1096} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 6.000 4.900 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.44235E-04 ppm1 8.344 ppm2 8.853 CV 1 ASSI { 1099} (( segid " " and resid 83 and name HN )) (( segid " " and resid 89 and name HN )) 3.900 1.900 1.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.61930E-03 ppm1 9.065 ppm2 8.380 CV 1 ASSI { 1100} (( segid " " and resid 83 and name HN )) (( segid " " and resid 87 and name HN )) 3.500 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.67034E-03 ppm1 9.070 ppm2 7.606 CV 1 ASSI { 1105} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HG2 )) 3.400 1.500 1.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 9.060 ppm2 1.585 CV 1 ASSI { 1125} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 2.600 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.35729E-02 ppm1 8.085 ppm2 7.587 CV 1 ASSI { 1129} (( segid " " and resid 86 and name HN )) (( segid " " and resid 83 and name HN )) 4.500 2.600 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.23377E-03 ppm1 8.091 ppm2 9.072 CV 1 ASSI { 1130} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HN )) 4.200 2.200 1.800 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.32666E-03 ppm1 8.085 ppm2 8.824 CV 1 ASSI { 1151} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD21)) 5.900 4.400 0.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.48319E-04 ppm1 9.844 ppm2 6.719 CV 1 ASSI { 1153} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HN )) 4.900 3.000 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.25928E-03 ppm1 9.847 ppm2 8.385 CV 1 ASSI { 1154} (( segid " " and resid 88 and name HN )) (( segid " " and resid 125 and name HN )) 3.500 1.600 1.600 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.57165E-03 ppm1 9.847 ppm2 9.236 CV 1 ASSI { 1176} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HA )) 3.600 1.600 1.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.58527E-03 ppm1 10.253 ppm2 4.688 CV 1 ASSI { 1179} (( segid " " and resid 91 and name HN )) (( segid " " and resid 79 and name HN )) 2.900 1.100 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.13645E-02 ppm1 8.771 ppm2 9.964 CV 1 ASSI { 1192} (( segid " " and resid 91 and name HN )) (( segid " " and resid 78 and name HB2 )) 4.800 2.900 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.14428E-03 ppm1 8.770 ppm2 2.809 CV 1 ASSI { 1194} (( segid " " and resid 91 and name HN )) (( segid " " and resid 93 and name HB3 )) 4.100 2.200 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 8.773 ppm2 1.775 CV 1 ASSI { 1203} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HB3 )) 5.200 3.400 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.26031E-03 ppm1 8.194 ppm2 1.764 CV 1 ASSI { 1205} (( segid " " and resid 92 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.200 3.200 2.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.41854E-02 ppm1 8.192 ppm2 2.801 CV 1 ASSI { 1210} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.100 0.600 0.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.79964E-02 ppm1 8.194 ppm2 4.684 CV 1 ASSI { 1216} (( segid " " and resid 93 and name HN )) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.48319E-03 ppm1 7.992 ppm2 9.960 CV 1 ASSI { 1228} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.500 1.600 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.16061E-02 ppm1 7.999 ppm2 1.333 CV 1 ASSI { 1229} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HG12)) 5.300 3.500 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 7.984 ppm2 1.293 CV 1 ASSI { 1240} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.33721E-02 ppm1 8.619 ppm2 1.326 CV 1 ASSI { 1245} (( segid " " and resid 94 and name HN )) (( segid " " and resid 96 and name HN )) 3.300 1.400 1.400 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.97658E-03 ppm1 8.622 ppm2 7.094 CV 1 ASSI { 1246} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) 3.100 1.200 1.200 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.77922E-03 ppm1 8.620 ppm2 7.995 CV 1 ASSI { 1249} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 2.900 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.20723E-02 ppm1 7.254 ppm2 8.628 CV 1 ASSI { 1250} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.20620E-03 ppm1 7.254 ppm2 7.997 CV 1 ASSI { 1252} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.31645E-02 ppm1 7.250 ppm2 7.089 CV 1 ASSI { 1256} (( segid " " and resid 95 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.100 2.100 1.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.31611E-03 ppm1 7.260 ppm2 2.763 CV 1 OR { 1256} (( segid " " and resid 95 and name HN )) (( segid " " and resid 63 and name HB3 )) ASSI { 1257} (( segid " " and resid 95 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.000 2.000 4.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.31067E-02 ppm1 7.255 ppm2 2.379 CV 1 ASSI { 1262} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HB2 )) 6.000 6.000 0.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.49000E-05 ppm1 7.098 ppm2 0.743 CV 1 ASSI { 1265} (( segid " " and resid 96 and name HN )) (( segid " " and resid 91 and name HA )) 6.000 6.000 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.20450E-04 ppm1 7.104 ppm2 4.688 CV 1 ASSI { 1269} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HN )) 3.100 1.200 1.200 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 7.106 ppm2 7.126 CV 1 ASSI { 1308} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 2.400 0.700 0.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.49339E-02 ppm1 7.129 ppm2 7.846 CV 1 ASSI { 1309} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.30250E-02 ppm1 7.128 ppm2 8.859 CV 1 ASSI { 1329} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.400 1.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.11705E-02 ppm1 6.353 ppm2 2.810 CV 1 ASSI { 1337} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 3.000 1.100 1.100 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.12182E-02 ppm1 6.358 ppm2 7.855 CV 1 ASSI { 1338} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 4.200 2.200 1.800 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.74520E-03 ppm1 6.369 ppm2 8.030 CV 1 ASSI { 1343} (( segid " " and resid 101 and name HN )) (( segid " " and resid 116 and name HN )) 4.600 2.600 1.400 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.36068E-03 ppm1 8.024 ppm2 7.639 CV 1 ASSI { 1345} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 4.800 2.900 1.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.20042E-03 ppm1 8.031 ppm2 8.512 CV 1 ASSI { 1360} (( segid " " and resid 102 and name HN )) (( segid " " and resid 92 and name HB2 )) 4.000 2.000 2.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.40493E-03 ppm1 8.489 ppm2 3.808 CV 1 ASSI { 1369} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 4.800 2.900 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.21574E-03 ppm1 8.992 ppm2 8.503 CV 1 ASSI { 1370} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 4.400 2.400 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.51381E-03 ppm1 8.989 ppm2 8.119 CV 1 ASSI { 1383} (( segid " " and resid 104 and name HN )) ( segid " " and resid 7 and name HD2%) 3.700 3.700 2.300 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.17353E-02 ppm1 8.123 ppm2 0.512 CV 1 ASSI { 1385} (( segid " " and resid 104 and name HN )) ( segid " " and resid 66 and name HD2%) 2.800 2.800 3.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.33381E-02 ppm1 8.129 ppm2 1.017 CV 1 ASSI { 1402} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 3.600 1.600 1.600 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.91873E-03 ppm1 8.843 ppm2 8.122 CV 1 ASSI { 1407} (( segid " " and resid 105 and name HN )) (( segid " " and resid 112 and name HA )) 3.500 3.500 2.500 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.14733E-02 ppm1 8.843 ppm2 4.244 CV 1 ASSI { 1412} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB3 )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.74180E-03 ppm1 8.840 ppm2 2.118 CV 1 ASSI { 1415} (( segid " " and resid 105 and name HN )) (( segid " " and resid 112 and name HG2 )) 2.900 1.000 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.22424E-02 ppm1 8.841 ppm2 1.657 CV 1 ASSI { 1419} (( segid " " and resid 105 and name HN )) ( segid " " and resid 7 and name HD2%) 3.800 3.800 2.200 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.99700E-03 ppm1 8.840 ppm2 0.526 CV 1 ASSI { 1421} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HG )) 2.600 2.600 3.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.72138E-02 ppm1 8.977 ppm2 1.638 CV 1 ASSI { 1422} (( segid " " and resid 106 and name HN )) (( segid " " and resid 7 and name HG )) 3.300 3.300 2.700 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 8.979 ppm2 1.448 CV 1 ASSI { 1434} (( segid " " and resid 106 and name HN )) (( segid " " and resid 10 and name HN )) 3.000 3.000 3.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.16742E-02 ppm1 8.980 ppm2 8.171 CV 1 ASSI { 1436} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 2.600 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.24091E-02 ppm1 7.349 ppm2 8.977 CV 1 ASSI { 1457} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 4.100 2.100 1.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.26474E-03 ppm1 7.665 ppm2 4.694 CV 1 ASSI { 1465} (( segid " " and resid 109 and name HN )) (( segid " " and resid 105 and name HN )) 3.500 1.500 1.500 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.68055E-03 ppm1 7.277 ppm2 8.851 CV 1 ASSI { 1466} (( segid " " and resid 109 and name HN )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.73499E-03 ppm1 7.282 ppm2 7.878 CV 1 ASSI { 1469} (( segid " " and resid 109 and name HN )) (( segid " " and resid 107 and name HA )) 1.800 1.800 4.200 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.58867E-02 ppm1 7.277 ppm2 4.662 CV 1 ASSI { 1472} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.500 3.500 2.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 7.278 ppm2 3.228 CV 1 ASSI { 1477} (( segid " " and resid 109 and name HN )) (( segid " " and resid 111 and name HD2 )) 3.300 1.300 1.300 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.75540E-03 ppm1 7.278 ppm2 1.240 CV 1 ASSI { 1480} (( segid " " and resid 110 and name HN )) ( segid " " and resid 7 and name HD2%) 2.600 2.600 3.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.64992E-03 ppm1 9.073 ppm2 0.526 CV 1 ASSI { 1482} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HD2 )) 5.600 4.000 0.400 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.42874E-04 ppm1 9.066 ppm2 1.257 CV 1 ASSI { 1484} (( segid " " and resid 110 and name HN )) (( segid " " and resid 25 and name HB3 )) 2.700 2.700 3.300 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.52061E-02 ppm1 9.073 ppm2 3.001 CV 1 ASSI { 1492} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.56144E-03 ppm1 9.075 ppm2 7.279 CV 1 ASSI { 1494} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HN )) 3.800 1.800 1.800 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.89151E-03 ppm1 8.092 ppm2 9.062 CV 1 ASSI { 1495} (( segid " " and resid 111 and name HN )) (( segid " " and resid 105 and name HN )) 3.500 1.600 1.600 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.58867E-03 ppm1 8.097 ppm2 8.851 CV 1 ASSI { 1499} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.200 0.600 0.600 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.54784E-02 ppm1 8.099 ppm2 4.279 CV 1 ASSI { 1502} (( segid " " and resid 111 and name HN )) (( segid " " and resid 65 and name HB3 )) 5.100 3.300 0.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.10991E-03 ppm1 8.107 ppm2 2.050 CV 1 ASSI { 1505} (( segid " " and resid 111 and name HN )) ( segid " " and resid 66 and name HD2%) 2.700 0.900 0.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.35048E-02 ppm1 8.099 ppm2 1.025 CV 1 ASSI { 1507} (( segid " " and resid 112 and name HN )) ( segid " " and resid 66 and name HD2%) 2.600 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.35729E-02 ppm1 8.565 ppm2 1.025 CV 1 ASSI { 1510} (( segid " " and resid 112 and name HN )) ( segid " " and resid 66 and name HD1%) 2.200 2.200 3.800 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.11229E-01 ppm1 8.565 ppm2 1.420 CV 1 ASSI { 1513} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.300 0.600 0.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.75540E-02 ppm1 8.566 ppm2 4.260 CV 1 ASSI { 1515} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 3.600 1.600 1.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.89831E-03 ppm1 8.560 ppm2 8.089 CV 1 ASSI { 1518} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 4.000 2.000 2.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.35048E-03 ppm1 8.566 ppm2 9.396 CV 1 ASSI { 1528} (( segid " " and resid 113 and name HN )) (( segid " " and resid 65 and name HB3 )) 2.600 2.600 3.400 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.73839E-03 ppm1 9.410 ppm2 2.073 CV 1 ASSI { 1529} (( segid " " and resid 113 and name HN )) ( segid " " and resid 66 and name HD1%) 2.000 2.000 4.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.33789E-02 ppm1 9.412 ppm2 1.428 CV 1 ASSI { 1530} (( segid " " and resid 113 and name HN )) ( segid " " and resid 65 and name HD2%) 2.400 2.400 3.600 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.10923E-02 ppm1 9.410 ppm2 0.978 CV 1 ASSI { 1533} (( segid " " and resid 115 and name HN )) (( segid " " and resid 119 and name HA2 )) 4.800 2.900 1.200 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.18103E-03 ppm1 8.063 ppm2 4.386 CV 1 ASSI { 1535} (( segid " " and resid 115 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 5.700 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.50700E-04 ppm1 8.072 ppm2 2.008 CV 1 ASSI { 1540} (( segid " " and resid 116 and name HN )) (( segid " " and resid 113 and name HN )) 5.200 3.400 0.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.88131E-04 ppm1 7.655 ppm2 9.404 CV 1 ASSI { 1542} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 2.500 0.800 0.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.35389E-02 ppm1 7.648 ppm2 8.072 CV 1 ASSI { 1546} (( segid " " and resid 116 and name HN )) (( segid " " and resid 119 and name HA2 )) 3.000 3.000 3.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.20791E-02 ppm1 7.651 ppm2 4.390 CV 1 ASSI { 1552} (( segid " " and resid 116 and name HN )) (( segid " " and resid 101 and name HB3 )) 6.000 6.000 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.31645E-04 ppm1 7.653 ppm2 3.465 CV 1 ASSI { 1558} (( segid " " and resid 116 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.900 3.000 1.100 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.19906E-03 ppm1 7.655 ppm2 2.013 CV 1 ASSI { 1565} (( segid " " and resid 117 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.000 3.000 3.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.28208E-02 ppm1 7.085 ppm2 2.015 CV 1 ASSI { 1567} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB3 )) 3.500 3.500 2.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.17048E-02 ppm1 7.086 ppm2 3.097 CV 1 ASSI { 1570} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HA1 )) 3.600 3.600 2.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 7.085 ppm2 3.286 CV 1 ASSI { 1578} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 3.700 1.700 1.700 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.54103E-03 ppm1 7.073 ppm2 7.652 CV 1 ASSI { 1582} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.43214E-03 ppm1 9.017 ppm2 8.009 CV 1 ASSI { 1584} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 3.100 1.200 1.200 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.27869E-02 ppm1 9.016 ppm2 7.089 CV 1 ASSI { 1587} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HA2 )) 3.700 1.700 1.700 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.97658E-03 ppm1 9.009 ppm2 4.404 CV 1 ASSI { 1589} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HA1 )) 3.600 1.600 1.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.94596E-03 ppm1 9.018 ppm2 3.285 CV 1 ASSI { 1604} (( segid " " and resid 119 and name HN )) (( segid " " and resid 123 and name HB )) 4.100 2.100 1.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.45937E-03 ppm1 7.995 ppm2 2.243 CV 1 ASSI { 1605} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HA )) 3.600 1.600 1.600 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.25214E-02 ppm1 8.005 ppm2 4.262 CV 1 ASSI { 1606} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HA )) 2.800 2.800 3.200 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.51381E-02 ppm1 8.003 ppm2 3.803 CV 1 ASSI { 1608} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 2.300 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.34027E-02 ppm1 8.004 ppm2 7.007 CV 1 ASSI { 1612} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 3.900 1.900 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.69755E-03 ppm1 7.002 ppm2 8.479 CV 1 ASSI { 1617} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.36409E-03 ppm1 7.000 ppm2 5.778 CV 1 ASSI { 1619} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HA )) 3.100 3.100 2.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 7.003 ppm2 3.807 CV 1 ASSI { 1622} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 1.900 1.900 4.100 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 7.003 ppm2 2.003 CV 1 ASSI { 1629} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.500 0.800 0.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.37430E-02 ppm1 8.478 ppm2 1.443 CV 1 ASSI { 1633} (( segid " " and resid 121 and name HN )) (( segid " " and resid 123 and name HB )) 3.500 3.500 2.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 8.479 ppm2 2.237 CV 1 ASSI { 1649} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 2.800 1.000 1.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 7.545 ppm2 8.480 CV 1 ASSI { 1652} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 3.000 1.100 1.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 7.545 ppm2 3.814 CV 1 ASSI { 1656} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.200 1.300 1.300 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.15550E-02 ppm1 7.543 ppm2 1.434 CV 1 ASSI { 1675} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) 5.400 3.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.11978E-03 ppm1 5.791 ppm2 8.492 CV 1 ASSI { 1676} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 3.800 1.800 1.800 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.80985E-03 ppm1 6.714 ppm2 9.230 CV 1 ASSI { 1677} (( segid " " and resid 124 and name HN )) (( segid " " and resid 10 and name HN )) 4.700 2.800 1.300 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.12863E-03 ppm1 6.714 ppm2 8.171 CV 1 ASSI { 1680} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) 2.500 0.800 0.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.40493E-02 ppm1 6.715 ppm2 5.786 CV 1 ASSI { 1686} (( segid " " and resid 124 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.800 2.800 3.200 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.39131E-03 ppm1 6.722 ppm2 2.133 CV 1 ASSI { 1694} (( segid " " and resid 125 and name HN )) ( segid " " and resid 104 and name HD1%) 6.000 5.100 0.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.52061E-04 ppm1 9.222 ppm2 0.752 CV 1 ASSI { 1720} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB2 )) 4.200 2.200 1.800 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.83366E-03 ppm1 9.682 ppm2 1.953 CV 1 ASSI { 1721} (( segid " " and resid 128 and name HN )) ( segid " " and resid 6 and name HD1%) 2.400 2.400 3.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 9.683 ppm2 0.781 CV 1 ASSI { 1728} (( segid " " and resid 130 and name HN )) (( segid " " and resid 6 and name HN )) 5.600 3.900 0.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.14598E-03 ppm1 7.993 ppm2 8.937 CV 1 ASSI { 1730} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 3.900 1.900 1.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 8.001 ppm2 7.857 CV 1 ASSI { 1734} (( segid " " and resid 130 and name HN )) (( segid " " and resid 3 and name HA )) 1.700 1.700 4.300 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.77922E-02 ppm1 7.996 ppm2 4.594 CV 1 ASSI { 1735} (( segid " " and resid 130 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 6.000 0.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.32360E-05 ppm1 7.986 ppm2 4.252 CV 1 ASSI { 1738} (( segid " " and resid 130 and name HN )) (( segid " " and resid 1 and name HB2 )) 3.200 3.200 2.800 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.12454E-02 ppm1 7.990 ppm2 2.934 CV 1 ASSI { 1740} (( segid " " and resid 130 and name HN )) (( segid " " and resid 36 and name HB2 )) 1.700 1.700 4.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.92894E-02 ppm1 7.996 ppm2 1.870 CV 1 ASSI { 1741} (( segid " " and resid 130 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.000 3.000 3.000 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.10106E-02 ppm1 7.996 ppm2 1.614 CV 1 ASSI { 1755} (( segid " " and resid 131 and name HN )) (( segid " " and resid 1 and name HB2 )) 3.100 3.100 2.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 7.838 ppm2 2.919 CV 1 ASSI { 1762} (( segid " " and resid 132 and name HN )) (( segid " " and resid 1 and name HA )) 3.400 1.400 1.400 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.95276E-03 ppm1 8.195 ppm2 4.692 CV 1 ASSI { 1769} (( segid " " and 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