NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
11861 | 1s6j | 6103 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 40 and name HB )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.11000E+01 volume 0.73984E-03 ppm1 9.709 ppm2 1.699 CV 1 OR { 6} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HG12)) ASSI { 11} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 75 and name HG2%) 4.200 2.200 1.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.77440E-03 ppm1 9.712 ppm2 1.079 CV 1 OR { 11} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HG11)) ASSI { 16} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 80 and name HG1 )) 4.700 2.700 1.300 peak 16 spectrum 1 weight 0.11000E+01 volume 0.36008E-03 ppm1 8.070 ppm2 2.378 CV 1 OR { 16} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HB1 )) ASSI { 32} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 40 and name HG2%) 3.400 1.500 1.500 peak 32 spectrum 1 weight 0.11000E+01 volume 0.15830E-02 ppm1 8.615 ppm2 0.805 CV 1 OR { 32} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 45 and name HD2%) ASSI { 35} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HA )) 2.700 0.900 0.900 peak 35 spectrum 1 weight 0.11000E+01 volume 0.33833E-02 ppm1 8.377 ppm2 4.166 CV 1 OR { 35} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 15 and name HA )) ASSI { 38} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HG2 )) 3.000 1.100 1.100 peak 38 spectrum 1 weight 0.11000E+01 volume 0.29417E-02 ppm1 9.097 ppm2 2.403 CV 1 OR { 38} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HB2 )) ASSI { 39} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 61 and name HB )) 4.000 2.000 2.000 peak 39 spectrum 1 weight 0.11000E+01 volume 0.73926E-03 ppm1 9.100 ppm2 2.042 CV 1 OR { 39} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 60 and name HB2 )) ASSI { 44} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HB )) 2.700 0.900 0.900 peak 44 spectrum 1 weight 0.11000E+01 volume 0.17261E-02 ppm1 8.203 ppm2 2.045 CV 1 OR { 44} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HB2 )) ASSI { 84} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HB1 )) 2.900 1.100 1.100 peak 84 spectrum 1 weight 0.11000E+01 volume 0.30861E-02 ppm1 7.998 ppm2 1.690 CV 1 OR { 84} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HG2 )) ASSI { 93} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 93 spectrum 1 weight 0.11000E+01 volume 0.65827E-03 ppm1 7.056 ppm2 3.896 CV 1 OR { 93} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 58 and name HA )) ASSI { 100} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HB2 )) 2.600 0.800 0.800 peak 100 spectrum 1 weight 0.11000E+01 volume 0.48448E-02 ppm1 7.055 ppm2 2.326 CV 1 OR { 100} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HG2 )) ASSI { 103} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HA )) 3.500 1.500 1.500 peak 103 spectrum 1 weight 0.11000E+01 volume 0.84680E-03 ppm1 8.735 ppm2 4.184 CV 1 OR { 103} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 18 and name HB2 )) ASSI { 111} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HB )) 2.300 0.700 0.700 peak 111 spectrum 1 weight 0.11000E+01 volume 0.51776E-02 ppm1 8.438 ppm2 2.038 CV 1 OR { 111} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HB2 )) ASSI { 119} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 60 and name HB2 )) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.11000E+01 volume 0.23752E-02 ppm1 9.313 ppm2 2.079 CV 1 OR { 119} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 57 and name HE% ) ASSI { 130} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB2 )) 1.900 0.400 0.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.28284E-01 ppm1 8.263 ppm2 2.699 CV 1 OR { 130} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 10 and name HB2 )) ASSI { 137} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 11 and name HA )) 6.000 5.400 0.000 peak 137 spectrum 1 weight 0.11000E+01 volume 0.28623E-04 ppm1 8.221 ppm2 4.163 CV 1 OR { 137} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HA )) ASSI { 163} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HB2 )) 2.600 0.900 0.900 peak 163 spectrum 1 weight 0.11000E+01 volume 0.38623E-02 ppm1 8.022 ppm2 2.058 CV 1 OR { 163} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 20 and name HB2 )) ASSI { 164} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 21 and name HB2 )) 2.400 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.57213E-02 ppm1 8.009 ppm2 2.051 CV 1 OR { 164} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HB2 )) OR { 164} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 20 and name HB2 )) ASSI { 165} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 21 and name HG2 )) 3.700 1.700 1.700 peak 165 spectrum 1 weight 0.11000E+01 volume 0.83152E-03 ppm1 7.999 ppm2 2.318 CV 1 OR { 165} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 20 and name HG2 )) OR { 165} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HG2 )) ASSI { 168} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HA )) 2.600 0.800 0.800 peak 168 spectrum 1 weight 0.11000E+01 volume 0.37459E-02 ppm1 7.921 ppm2 4.065 CV 1 OR { 168} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HA )) ASSI { 169} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB2 )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.11000E+01 volume 0.96885E-02 ppm1 7.923 ppm2 2.026 CV 1 OR { 169} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HB2 )) ASSI { 189} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HB )) 2.400 0.700 0.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.28770E-02 ppm1 7.834 ppm2 1.450 CV 1 OR { 189} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HB1 )) ASSI { 199} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 20 and name HG2 )) 3.600 1.600 1.600 peak 199 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.517 ppm2 2.318 CV 1 OR { 199} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HG2 )) ASSI { 200} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 20 and name HB2 )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.11000E+01 volume 0.62179E-02 ppm1 8.519 ppm2 2.042 CV 1 OR { 200} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HB2 )) ASSI { 209} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB2 )) 2.800 0.900 0.900 peak 209 spectrum 1 weight 0.11000E+01 volume 0.42020E-02 ppm1 7.583 ppm2 1.872 CV 1 OR { 209} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 51 and name HB1 )) ASSI { 210} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB1 )) 3.400 1.500 1.500 peak 210 spectrum 1 weight 0.11000E+01 volume 0.13352E-02 ppm1 7.582 ppm2 1.448 CV 1 OR { 210} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HG2 )) ASSI { 221} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.11000E+01 volume 0.16882E-02 ppm1 8.759 ppm2 2.560 CV 1 OR { 221} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 77 and name HB1 )) ASSI { 222} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 20 and name HA )) 5.300 3.500 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.57345E-04 ppm1 8.478 ppm2 4.150 CV 1 OR { 222} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HA )) OR { 222} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HA )) ASSI { 264} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HA )) 2.400 0.700 0.700 peak 264 spectrum 1 weight 0.11000E+01 volume 0.56371E-02 ppm1 8.142 ppm2 4.188 CV 1 OR { 264} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HA )) ASSI { 270} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HB2 )) 2.800 1.000 1.000 peak 270 spectrum 1 weight 0.11000E+01 volume 0.18677E-02 ppm1 7.960 ppm2 2.069 CV 1 OR { 270} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HB2 )) ASSI { 272} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HA )) 3.100 1.200 1.200 peak 272 spectrum 1 weight 0.11000E+01 volume 0.13497E-02 ppm1 7.953 ppm2 4.084 CV 1 OR { 272} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HA )) ASSI { 275} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HG1 )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.11000E+01 volume 0.29958E-02 ppm1 7.629 ppm2 2.488 CV 1 OR { 275} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HB2 )) ASSI { 277} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HA )) 2.300 0.700 0.700 peak 277 spectrum 1 weight 0.11000E+01 volume 0.70058E-02 ppm1 7.620 ppm2 4.058 CV 1 OR { 277} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HA )) ASSI { 289} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 43 and name HA )) 4.700 2.700 1.300 peak 289 spectrum 1 weight 0.11000E+01 volume 0.11058E-03 ppm1 8.394 ppm2 4.090 CV 1 OR { 289} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 44 and name HA )) ASSI { 292} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HG )) 2.700 0.900 0.900 peak 292 spectrum 1 weight 0.11000E+01 volume 0.33792E-02 ppm1 8.390 ppm2 1.516 CV 1 OR { 292} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HD2 )) ASSI { 294} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 61 and name HG2%) 3.200 1.300 1.300 peak 294 spectrum 1 weight 0.11000E+01 volume 0.18879E-02 ppm1 8.391 ppm2 0.802 CV 1 OR { 294} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 45 and name HD2%) ASSI { 296} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HB1 )) 2.200 0.600 0.600 peak 296 spectrum 1 weight 0.11000E+01 volume 0.32228E-02 ppm1 8.387 ppm2 1.400 CV 1 OR { 296} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HB2 )) ASSI { 300} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HA )) 3.600 1.600 1.600 peak 300 spectrum 1 weight 0.11000E+01 volume 0.57232E-03 ppm1 7.474 ppm2 3.911 CV 1 OR { 300} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 30 and name HA )) ASSI { 303} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HB )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.11000E+01 volume 0.19001E-02 ppm1 7.477 ppm2 1.438 CV 1 OR { 303} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 33 and name HB1 )) ASSI { 324} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HB )) 5.400 3.600 0.600 peak 324 spectrum 1 weight 0.11000E+01 volume 0.18488E-03 ppm1 7.759 ppm2 1.449 CV 1 OR { 324} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 33 and name HB1 )) ASSI { 325} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 40 and name HG11)) 4.700 2.700 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.34514E-03 ppm1 7.760 ppm2 0.946 CV 1 OR { 325} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 40 and name HG11)) ASSI { 327} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HA )) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.11000E+01 volume 0.41535E-02 ppm1 7.758 ppm2 3.915 CV 1 OR { 327} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HA )) ASSI { 330} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HA )) 3.000 1.200 1.200 peak 330 spectrum 1 weight 0.11000E+01 volume 0.30539E-02 ppm1 7.733 ppm2 4.325 CV 1 OR { 330} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HA )) ASSI { 353} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 67 and name HB% ) 3.700 1.700 1.700 peak 353 spectrum 1 weight 0.11000E+01 volume 0.30136E-03 ppm1 8.070 ppm2 1.404 CV 1 OR { 353} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 70 and name HG12)) ASSI { 354} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 40 and name HG11)) 5.600 4.000 0.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.17485E-03 ppm1 8.069 ppm2 0.961 CV 1 OR { 354} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 70 and name HG2%) ASSI { 358} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HA2 )) 2.400 0.700 0.700 peak 358 spectrum 1 weight 0.11000E+01 volume 0.35881E-02 ppm1 10.747 ppm2 4.309 CV 1 OR { 358} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HA )) ASSI { 365} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.11000E+01 volume 0.64067E-02 ppm1 8.405 ppm2 2.624 CV 1 OR { 365} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HB1 )) ASSI { 367} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 44 and name HB1 )) 5.300 3.500 0.700 peak 367 spectrum 1 weight 0.11000E+01 volume 0.24988E-03 ppm1 8.407 ppm2 2.384 CV 1 OR { 367} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 69 and name HB1 )) ASSI { 372} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 26 and name HA )) 3.700 1.700 1.700 peak 372 spectrum 1 weight 0.11000E+01 volume 0.49414E-03 ppm1 7.943 ppm2 4.129 CV 1 OR { 372} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HA )) ASSI { 373} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 27 and name HA )) 3.600 1.600 1.600 peak 373 spectrum 1 weight 0.11000E+01 volume 0.43867E-03 ppm1 7.946 ppm2 4.088 CV 1 OR { 373} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 26 and name HA )) ASSI { 374} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HA )) 2.500 0.800 0.800 peak 374 spectrum 1 weight 0.11000E+01 volume 0.46356E-02 ppm1 7.942 ppm2 3.911 CV 1 OR { 374} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HA )) OR { 374} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 72 and name HA )) ASSI { 376} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.18662E-02 ppm1 7.942 ppm2 3.109 CV 1 OR { 376} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HA )) ASSI { 379} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HG12)) 3.400 1.500 1.500 peak 379 spectrum 1 weight 0.11000E+01 volume 0.18315E-02 ppm1 7.938 ppm2 1.416 CV 1 OR { 379} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 72 and name HG2 )) OR { 379} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 32 and name HB )) ASSI { 384} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HG11)) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.15471E-02 ppm1 7.939 ppm2 1.676 CV 1 OR { 384} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HD1 )) ASSI { 387} (( segid "A " and resid 71 and name HN )) ( segid "A " and resid 70 and name HD1%) 3.300 3.300 2.700 peak 387 spectrum 1 weight 0.11000E+01 volume 0.41459E-03 ppm1 7.940 ppm2 0.942 CV 1 OR { 387} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 40 and name HG11)) ASSI { 402} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 402 spectrum 1 weight 0.11000E+01 volume 0.24687E-02 ppm1 8.160 ppm2 3.068 CV 1 OR { 402} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HB2 )) ASSI { 420} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HA )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.11000E+01 volume 0.95851E-02 ppm1 8.611 ppm2 4.307 CV 1 OR { 420} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HA )) ASSI { 423} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 35 and name HB2 )) 4.200 2.200 1.800 peak 423 spectrum 1 weight 0.11000E+01 volume 0.40278E-03 ppm1 8.610 ppm2 3.066 CV 1 OR { 423} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB2 )) ASSI { 432} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 50 and name HG2 )) 3.000 3.000 3.000 peak 432 spectrum 1 weight 0.11000E+01 volume 0.34700E-03 ppm1 7.983 ppm2 1.450 CV 1 OR { 432} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 49 and name HB1 )) ASSI { 434} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HA1 )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.11000E+01 volume 0.34419E-02 ppm1 7.977 ppm2 3.779 CV 1 OR { 434} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HB1 )) ASSI { 437} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 52 and name HG1%) 3.600 1.600 1.600 peak 437 spectrum 1 weight 0.11000E+01 volume 0.10046E-02 ppm1 7.976 ppm2 0.775 CV 1 OR { 437} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 56 and name HD1%) ASSI { 441} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HB1 )) 2.300 0.700 0.700 peak 441 spectrum 1 weight 0.11000E+01 volume 0.67074E-02 ppm1 8.769 ppm2 3.916 CV 1 OR { 441} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HA )) ASSI { 443} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 443 spectrum 1 weight 0.11000E+01 volume 0.27913E-02 ppm1 8.770 ppm2 2.385 CV 1 OR { 443} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HG2 )) ASSI { 445} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 445 spectrum 1 weight 0.11000E+01 volume 0.11193E-02 ppm1 8.767 ppm2 2.050 CV 1 OR { 445} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 61 and name HB )) ASSI { 504} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HB1 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.11000E+01 volume 0.44995E-03 ppm1 9.155 ppm2 2.540 CV 1 OR { 504} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 80 and name HB2 )) ASSI { 513} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HB1 )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.11000E+01 volume 0.53535E-03 ppm1 8.382 ppm2 2.306 CV 1 OR { 513} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HB1 )) ASSI { 523} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 77 and name HB1 )) 2.900 1.000 1.000 peak 523 spectrum 1 weight 0.11000E+01 volume 0.20568E-02 ppm1 8.372 ppm2 2.571 CV 1 OR { 523} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HB2 )) ASSI { 524} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 56 and name HN )) 3.600 1.600 1.600 peak 524 spectrum 1 weight 0.11000E+01 volume 0.35517E-03 ppm1 9.084 ppm2 7.956 CV 1 OR { 524} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HN )) ASSI { 526} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 8 and name HN )) 2.600 0.900 0.900 peak 526 spectrum 1 weight 0.11000E+01 volume 0.45329E-02 ppm1 8.518 ppm2 8.252 CV 1 OR { 526} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HN )) ASSI { 528} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 46 and name HN )) 3.800 1.800 1.800 peak 528 spectrum 1 weight 0.11000E+01 volume 0.28924E-03 ppm1 8.612 ppm2 8.385 CV 1 OR { 528} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 43 and name HN )) ASSI { 545} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 82 and name HN )) 3.300 1.400 1.400 peak 545 spectrum 1 weight 0.11000E+01 volume 0.61442E-03 ppm1 8.919 ppm2 8.369 CV 1 OR { 545} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 79 and name HN )) ASSI { 557} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 63 and name HN )) 2.600 0.900 0.900 peak 557 spectrum 1 weight 0.11000E+01 volume 0.16719E-02 ppm1 8.437 ppm2 7.823 CV 1 OR { 557} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 64 and name HN )) ASSI { 601} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 13 and name HN )) 2.200 0.600 0.600 peak 601 spectrum 1 weight 0.11000E+01 volume 0.48074E-02 ppm1 8.329 ppm2 8.239 CV 1 OR { 601} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 10 and name HN )) ASSI { 650} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 39 and name HN )) 3.300 1.400 1.400 peak 650 spectrum 1 weight 0.11000E+01 volume 0.20414E-02 ppm1 8.611 ppm2 7.734 CV 1 OR { 650} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 35 and name HN )) ASSI { 753} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HE2 )) 6.000 5.200 0.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.78979E-04 ppm1 8.438 ppm2 2.808 CV 1 OR { 753} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 63 and name HB2 )) ASSI { 766} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 48 and name HA2 )) 3.800 1.800 1.800 peak 766 spectrum 1 weight 0.11000E+01 volume 0.45039E-03 ppm1 7.925 ppm2 3.857 CV 1 OR { 766} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 53 and name HA1 )) ASSI { 767} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 47 and name HA )) 3.900 1.900 1.900 peak 767 spectrum 1 weight 0.11000E+01 volume 0.34141E-03 ppm1 7.921 ppm2 4.358 CV 1 OR { 767} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 49 and name HA )) ASSI { 791} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 13 and name HA )) 5.300 3.500 0.700 peak 791 spectrum 1 weight 0.11000E+01 volume 0.90190E-04 ppm1 8.132 ppm2 4.321 CV 1 OR { 791} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 16 and name HA )) ASSI { 798} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 40 and name HG2%) 5.800 4.200 0.200 peak 798 spectrum 1 weight 0.11000E+01 volume 0.90075E-04 ppm1 8.086 ppm2 0.787 CV 1 OR { 798} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 32 and name HG2%) ASSI { 806} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 80 and name HG1 )) 4.100 2.100 1.900 peak 806 spectrum 1 weight 0.11000E+01 volume 0.43045E-03 ppm1 7.939 ppm2 2.384 CV 1 OR { 806} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 69 and name HB1 )) ASSI { 830} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 61 and name HG12)) 4.800 2.900 1.200 peak 830 spectrum 1 weight 0.11000E+01 volume 0.26088E-03 ppm1 8.766 ppm2 1.855 CV 1 OR { 830} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 62 and name HB1 )) ASSI { 842} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 46 and name HB2 )) 6.000 4.400 0.000 peak 842 spectrum 1 weight 0.11000E+01 volume 0.75739E-04 ppm1 8.778 ppm2 1.429 CV 1 OR { 842} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 49 and name HB1 )) ASSI { 844} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HN )) 5.400 3.700 0.600 peak 844 spectrum 1 weight 0.11000E+01 volume 0.33550E-04 ppm1 7.357 ppm2 7.932 CV 1 OR { 844} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 54 and name HN )) ASSI { 857} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 19 and name HG2 )) 2.900 2.900 3.100 peak 857 spectrum 1 weight 0.11000E+01 volume 0.42796E-03 ppm1 8.244 ppm2 2.359 CV 1 OR { 857} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 20 and name HG2 )) ASSI { 876} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 30 and name HB2 )) 4.800 2.800 1.200 peak 876 spectrum 1 weight 0.11000E+01 volume 0.36134E-03 ppm1 8.443 ppm2 1.901 CV 1 OR { 876} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 32 and name HG12)) ASSI { 877} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.17487E-03 ppm1 8.441 ppm2 2.059 CV 1 OR { 877} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 26 and name HB2 )) ASSI { 878} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 30 and name HA )) 5.200 3.400 0.800 peak 878 spectrum 1 weight 0.11000E+01 volume 0.27189E-03 ppm1 8.433 ppm2 3.919 CV 1 OR { 878} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 31 and name HA )) ASSI { 913} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HA )) 3.700 1.700 1.700 peak 913 spectrum 1 weight 0.11000E+01 volume 0.52584E-03 ppm1 8.617 ppm2 4.082 CV 1 OR { 913} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 43 and name HA )) ASSI { 922} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HB2 )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.11000E+01 volume 0.90417E-03 ppm1 8.614 ppm2 2.549 CV 1 OR { 922} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 77 and name HB1 )) ASSI { 925} (( segid "A " and resid 80 and name HN )) ( segid "A " and resid 76 and name HG2%) 3.200 3.200 2.800 peak 925 spectrum 1 weight 0.11000E+01 volume 0.20670E-03 ppm1 8.600 ppm2 1.300 CV 1 OR { 925} (( segid "A " and resid 80 and name HN )) ( segid "A " and resid 68 and name HB% ) ASSI { 940} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 62 and name HG2 )) 4.700 2.700 1.300 peak 940 spectrum 1 weight 0.11000E+01 volume 0.31969E-03 ppm1 7.054 ppm2 1.331 CV 1 OR { 940} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 56 and name HB1 )) ASSI { 941} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 63 and name HN )) 5.400 3.700 0.600 peak 941 spectrum 1 weight 0.11000E+01 volume 0.94741E-04 ppm1 7.063 ppm2 7.849 CV 1 OR { 941} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 64 and name HN )) ASSI { 943} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 60 and name HB1 )) 5.100 3.200 0.900 peak 943 spectrum 1 weight 0.11000E+01 volume 0.15991E-03 ppm1 8.449 ppm2 2.529 CV 1 OR { 943} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 65 and name HG1 )) ASSI { 992} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 64 and name HD2%) 4.000 2.000 2.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.84397E-04 ppm1 8.224 ppm2 0.815 CV 1 OR { 992} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 45 and name HD2%) OR { 992} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 40 and name HG2%) ASSI { 1000} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 37 and name HN )) 6.000 5.600 0.000 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.63972E-04 ppm1 8.099 ppm2 8.622 CV 1 OR { 1000} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 45 and name HN )) ASSI { 1008} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 67 and name HN )) 3.800 1.800 1.800 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.11595E-02 ppm1 8.067 ppm2 7.899 CV 1 OR { 1008} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 71 and name HN )) ASSI { 1012} (( segid "A " and resid 74 and name HN )) ( segid "A " and resid 65 and name HE% ) 3.400 3.400 2.600 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.39868E-03 ppm1 10.748 ppm2 2.031 CV 1 OR { 1012} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 76 and name HB )) ASSI { 1016} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 45 and name HG )) 6.000 5.900 0.000 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.60175E-04 ppm1 8.401 ppm2 1.520 CV 1 OR { 1016} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 46 and name HD2 )) ASSI { 1041} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB )) 5.100 3.300 0.900 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.75412E-04 ppm1 7.355 ppm2 2.035 CV 1 OR { 1041} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HB2 )) ASSI { 1060} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 63 and name HN )) 5.100 3.200 0.900 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.96656E-04 ppm1 8.207 ppm2 7.842 CV 1 OR { 1060} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 64 and name HN )) ASSI { 1067} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HA )) 5.300 3.500 0.700 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.10296E-03 ppm1 9.712 ppm2 4.867 CV 1 OR { 1067} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 75 and name HA )) ASSI { 1072} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 41 and name HN )) 3.900 1.900 1.900 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.31469E-03 ppm1 8.609 ppm2 8.752 CV 1 OR { 1072} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 48 and name HN )) ASSI { 1088} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HA )) 5.000 3.100 1.000 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.62647E-04 ppm1 8.198 ppm2 4.123 CV 1 OR { 1088} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HA )) ASSI { 1094} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 30 and name HA )) 4.100 2.100 1.900 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.24768E-03 ppm1 7.824 ppm2 3.931 CV 1 OR { 1094} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 31 and name HA )) ASSI { 1105} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 33 and name HA )) 6.000 6.000 0.000 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.24025E-04 ppm1 8.722 ppm2 4.448 CV 1 OR { 1105} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 42 and name HA )) ASSI { 1183} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 36 and name HA )) 5.600 3.900 0.400 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.92515E-04 ppm1 7.839 ppm2 4.332 CV 1 OR { 1183} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 34 and name HA )) ASSI { 1216} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 64 and name HD2%) 3.600 3.600 2.400 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.10179E-03 ppm1 8.371 ppm2 0.814 CV 1 OR { 1216} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 61 and name HG2%) ASSI { 1221} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HA2 )) 3.100 1.200 1.200 peak 1221 spectrum 1 weight 0.11000E+01 volume 0.32447E-02 ppm1 7.582 ppm2 4.308 CV 1 OR { 1221} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 73 and name HA )) OR { 1221} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 73 and name HB1 )) ASSI { 1239} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 75 and name HG2%) 5.000 3.100 1.000 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.17238E-03 ppm1 9.731 ppm2 1.079 CV 1 OR { 1239} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 76 and name HG11)) ASSI { 1254} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 80 and name HB2 )) 5.500 3.800 0.500 peak 1254 spectrum 1 weight 0.11000E+01 volume 0.10286E-03 ppm1 7.943 ppm2 2.568 CV 1 OR { 1254} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 33 and name HB2 )) assign (segid A and resid 33 and name OD#) (segid I and resid 1 ) 2.40 0.40 0.40 ! assign (segid A and resid 35 and name OD#) (segid I and resid 1) 2.40 0.40 0.40 ! assign (segid A and resid 37 and name OG) (segid I and resid 1) 2.40 0.40 0.40 ! assign (segid A and resid 39 and name O) (segid I and resid 1) 2.40 0.40 0.40 ! assign (segid A and resid 44 and name OE#) (segid I and resid 1) 2.40 0.40 0.40 ! assign (segid A and resid 69 and name OD#) (segid I and resid 2) 2.40 0.40 0.40 ! assign (segid A and resid 71 and name OD#) (segid I and resid 2) 2.40 0.40 0.40 ! assign (segid A and resid 73 and name OG) (segid I and resid 2) 2.40 0.40 0.40 ! assign (segid A and resid 75 and name O) (segid I and resid 2) 2.40 0.40 0.40 ! assign (segid A and resid 80 and name OE#) (segid I and resid 2) 2.40 0.40 0.40 ! ASSI { 1} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HB2 )) 3.100 1.200 1.200 peak 1 spectrum 1 weight 0.11000E+01 volume 0.18834E-02 ppm1 9.081 ppm2 2.293 CV 1 OR { 1} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HG2 )) ASSI { 1} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HB1 )) 3.900 1.900 1.900 peak 1 spectrum 1 weight 0.11000E+01 volume 0.33989E-03 ppm1 9.079 ppm2 1.879 CV 1 ASSI { 2} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HA )) 3.700 1.700 1.700 peak 2 spectrum 1 weight 0.11000E+01 volume 0.41027E-03 ppm1 9.081 ppm2 4.384 CV 1 ASSI { 3} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HA )) 3.200 1.300 1.300 peak 3 spectrum 1 weight 0.11000E+01 volume 0.20888E-02 ppm1 9.083 ppm2 4.193 CV 1 ASSI { 4} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HB )) 3.600 1.600 1.600 peak 4 spectrum 1 weight 0.11000E+01 volume 0.73826E-03 ppm1 9.715 ppm2 3.779 CV 1 ASSI { 5} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HB )) 2.900 1.100 1.100 peak 5 spectrum 1 weight 0.11000E+01 volume 0.15229E-02 ppm1 9.713 ppm2 2.035 CV 1 ASSI { 7} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 76 and name HG2%) 3.700 1.700 1.700 peak 7 spectrum 1 weight 0.11000E+01 volume 0.22967E-03 ppm1 9.718 ppm2 1.282 CV 1 ASSI { 8} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 40 and name HG11)) 2.500 2.500 3.500 peak 8 spectrum 1 weight 0.11000E+01 volume 0.10438E-02 ppm1 9.715 ppm2 0.952 CV 1 ASSI { 9} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HA )) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.11000E+01 volume 0.22076E-02 ppm1 9.713 ppm2 4.867 CV 1 ASSI { 10} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 41 and name HB )) 3.300 3.300 2.700 peak 10 spectrum 1 weight 0.11000E+01 volume 0.19963E-03 ppm1 9.715 ppm2 4.648 CV 1 ASSI { 12} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HB2 )) 5.800 4.200 0.200 peak 12 spectrum 1 weight 0.11000E+01 volume 0.14361E-03 ppm1 8.075 ppm2 2.984 CV 1 ASSI { 13} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HG12)) 3.500 1.500 1.500 peak 13 spectrum 1 weight 0.11000E+01 volume 0.15455E-02 ppm1 8.074 ppm2 1.410 CV 1 ASSI { 14} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HA )) 2.600 0.800 0.800 peak 14 spectrum 1 weight 0.11000E+01 volume 0.16114E-02 ppm1 8.072 ppm2 4.766 CV 1 ASSI { 15} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HA )) 3.000 1.200 1.200 peak 15 spectrum 1 weight 0.11000E+01 volume 0.11334E-02 ppm1 8.071 ppm2 3.903 CV 1 ASSI { 17} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HB )) 2.600 0.900 0.900 peak 17 spectrum 1 weight 0.11000E+01 volume 0.16167E-02 ppm1 8.071 ppm2 2.027 CV 1 ASSI { 18} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HG11)) 3.800 1.800 1.800 peak 18 spectrum 1 weight 0.11000E+01 volume 0.99370E-03 ppm1 8.070 ppm2 1.646 CV 1 ASSI { 19} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HG2%) 3.200 1.300 1.300 peak 19 spectrum 1 weight 0.11000E+01 volume 0.10387E-02 ppm1 8.071 ppm2 1.023 CV 1 ASSI { 20} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HD1%) 6.000 6.000 0.000 peak 20 spectrum 1 weight 0.11000E+01 volume 0.28755E-04 ppm1 8.072 ppm2 0.934 CV 1 ASSI { 21} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HA )) 2.800 1.000 1.000 peak 21 spectrum 1 weight 0.11000E+01 volume 0.26976E-02 ppm1 8.516 ppm2 4.648 CV 1 ASSI { 22} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HA )) 2.100 0.500 0.500 peak 22 spectrum 1 weight 0.11000E+01 volume 0.97818E-02 ppm1 8.516 ppm2 4.132 CV 1 ASSI { 23} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB2 )) 2.400 0.700 0.700 peak 23 spectrum 1 weight 0.11000E+01 volume 0.69812E-02 ppm1 8.512 ppm2 2.680 CV 1 ASSI { 24} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HB )) 3.500 1.500 1.500 peak 24 spectrum 1 weight 0.11000E+01 volume 0.15293E-02 ppm1 8.515 ppm2 1.792 CV 1 ASSI { 25} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HG12)) 5.100 3.300 0.900 peak 25 spectrum 1 weight 0.11000E+01 volume 0.24362E-03 ppm1 8.516 ppm2 1.090 CV 1 ASSI { 26} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 5 and name HB2 )) 3.000 3.000 3.000 peak 26 spectrum 1 weight 0.11000E+01 volume 0.30805E-03 ppm1 8.509 ppm2 3.211 CV 1 ASSI { 27} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HA )) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.11000E+01 volume 0.38321E-02 ppm1 9.096 ppm2 4.585 CV 1 ASSI { 28} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HA )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.11000E+01 volume 0.15734E-02 ppm1 9.096 ppm2 3.868 CV 1 ASSI { 29} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB2 )) 2.500 0.800 0.800 peak 29 spectrum 1 weight 0.11000E+01 volume 0.40710E-02 ppm1 9.096 ppm2 2.235 CV 1 ASSI { 30} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HB2 )) 3.300 1.300 1.300 peak 30 spectrum 1 weight 0.11000E+01 volume 0.33340E-03 ppm1 8.618 ppm2 1.982 CV 1 ASSI { 31} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 45 and name HD1%) 4.000 2.000 2.000 peak 31 spectrum 1 weight 0.11000E+01 volume 0.18577E-02 ppm1 8.614 ppm2 0.913 CV 1 ASSI { 33} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HB1 )) 6.000 5.600 0.000 peak 33 spectrum 1 weight 0.11000E+01 volume 0.32535E-04 ppm1 8.607 ppm2 2.353 CV 1 OR { 33} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HG2 )) ASSI { 34} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 13 and name HA )) 2.800 0.900 0.900 peak 34 spectrum 1 weight 0.11000E+01 volume 0.33882E-02 ppm1 8.375 ppm2 4.309 CV 1 ASSI { 36} (( segid "A " and resid 14 and name HN )) ( segid "A " and resid 14 and name HB% ) 2.200 0.600 0.600 peak 36 spectrum 1 weight 0.11000E+01 volume 0.75624E-02 ppm1 8.375 ppm2 1.402 CV 1 ASSI { 37} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HG2 )) 5.600 3.900 0.400 peak 37 spectrum 1 weight 0.11000E+01 volume 0.13551E-03 ppm1 9.096 ppm2 2.834 CV 1 ASSI { 40} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 61 and name HG11)) 4.900 3.000 1.100 peak 40 spectrum 1 weight 0.11000E+01 volume 0.24308E-03 ppm1 9.091 ppm2 0.766 CV 1 OR { 40} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 61 and name HG2%) ASSI { 41} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HA )) 3.400 1.500 1.500 peak 41 spectrum 1 weight 0.11000E+01 volume 0.40239E-03 ppm1 8.615 ppm2 3.847 CV 1 ASSI { 42} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 42 spectrum 1 weight 0.11000E+01 volume 0.82679E-03 ppm1 8.617 ppm2 1.404 CV 1 ASSI { 43} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HA )) 4.000 2.000 2.000 peak 43 spectrum 1 weight 0.11000E+01 volume 0.16411E-03 ppm1 8.201 ppm2 3.575 CV 1 ASSI { 45} (( segid "A " and resid 61 and name HN )) ( segid "A " and resid 61 and name HD1%) 5.600 3.900 0.400 peak 45 spectrum 1 weight 0.11000E+01 volume 0.11500E-03 ppm1 8.203 ppm2 0.652 CV 1 ASSI { 46} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HG2 )) 3.800 3.800 2.200 peak 46 spectrum 1 weight 0.11000E+01 volume 0.53060E-03 ppm1 8.609 ppm2 2.980 CV 1 ASSI { 47} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HA )) 4.200 2.200 1.800 peak 47 spectrum 1 weight 0.11000E+01 volume 0.16200E-03 ppm1 8.600 ppm2 4.163 CV 1 ASSI { 48} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HA )) 2.800 1.000 1.000 peak 48 spectrum 1 weight 0.11000E+01 volume 0.22266E-02 ppm1 8.213 ppm2 4.128 CV 1 ASSI { 49} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 49 spectrum 1 weight 0.11000E+01 volume 0.14876E-02 ppm1 8.214 ppm2 3.208 CV 1 ASSI { 50} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HB1 )) 3.700 1.700 1.700 peak 50 spectrum 1 weight 0.11000E+01 volume 0.10492E-02 ppm1 8.213 ppm2 3.112 CV 1 ASSI { 51} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 7 and name HB2 )) 5.100 3.200 0.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.11101E-03 ppm1 8.214 ppm2 2.702 CV 1 ASSI { 52} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HB )) 2.300 0.700 0.700 peak 52 spectrum 1 weight 0.11000E+01 volume 0.53223E-02 ppm1 8.213 ppm2 1.791 CV 1 ASSI { 53} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HG12)) 2.900 1.100 1.100 peak 53 spectrum 1 weight 0.11000E+01 volume 0.23496E-02 ppm1 8.213 ppm2 1.086 CV 1 ASSI { 54} (( segid "A " and resid 6 and name HN )) ( segid "A " and resid 6 and name HD1%) 3.100 3.100 2.900 peak 54 spectrum 1 weight 0.11000E+01 volume 0.47467E-02 ppm1 8.212 ppm2 0.828 CV 1 ASSI { 56} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 61 and name HA )) 4.600 2.700 1.400 peak 56 spectrum 1 weight 0.11000E+01 volume 0.11384E-03 ppm1 7.817 ppm2 3.581 CV 1 ASSI { 57} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HA )) 5.300 3.500 0.700 peak 57 spectrum 1 weight 0.11000E+01 volume 0.61061E-04 ppm1 7.811 ppm2 4.379 CV 1 ASSI { 58} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HA )) 2.900 1.100 1.100 peak 58 spectrum 1 weight 0.11000E+01 volume 0.14855E-02 ppm1 7.813 ppm2 4.099 CV 1 ASSI { 59} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 59 spectrum 1 weight 0.11000E+01 volume 0.85612E-03 ppm1 7.813 ppm2 2.823 CV 1 ASSI { 60} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HB1 )) 3.500 1.500 1.500 peak 60 spectrum 1 weight 0.11000E+01 volume 0.64870E-03 ppm1 7.813 ppm2 2.692 CV 1 ASSI { 61} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 65 and name HB2 )) 3.800 1.800 1.800 peak 61 spectrum 1 weight 0.11000E+01 volume 0.19133E-02 ppm1 7.812 ppm2 1.944 CV 1 ASSI { 62} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.11000E+01 volume 0.27215E-02 ppm1 7.812 ppm2 1.689 CV 1 ASSI { 63} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 62 and name HD2 )) 3.000 3.000 3.000 peak 63 spectrum 1 weight 0.11000E+01 volume 0.35046E-03 ppm1 7.813 ppm2 1.588 CV 1 ASSI { 64} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 64 and name HD2%) 3.900 1.900 1.900 peak 64 spectrum 1 weight 0.11000E+01 volume 0.17299E-02 ppm1 7.812 ppm2 0.810 CV 1 ASSI { 65} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 80 and name HA )) 4.200 2.200 1.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.24301E-03 ppm1 8.923 ppm2 4.165 CV 1 ASSI { 66} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 81 and name HA )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.11000E+01 volume 0.91610E-03 ppm1 8.922 ppm2 3.932 CV 1 ASSI { 67} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 78 and name HA )) 4.600 2.600 1.400 peak 67 spectrum 1 weight 0.11000E+01 volume 0.12752E-03 ppm1 8.922 ppm2 3.594 CV 1 ASSI { 68} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 81 and name HB1 )) 2.900 1.100 1.100 peak 68 spectrum 1 weight 0.11000E+01 volume 0.97564E-03 ppm1 8.920 ppm2 3.385 CV 1 ASSI { 69} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 81 and name HB2 )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.11000E+01 volume 0.11405E-02 ppm1 8.923 ppm2 3.295 CV 1 ASSI { 70} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 80 and name HB2 )) 3.900 1.900 1.900 peak 70 spectrum 1 weight 0.11000E+01 volume 0.18112E-03 ppm1 8.921 ppm2 2.550 CV 1 ASSI { 71} (( segid "A " and resid 81 and name HN )) ( segid "A " and resid 76 and name HG2%) 2.400 2.400 3.600 peak 71 spectrum 1 weight 0.11000E+01 volume 0.11253E-02 ppm1 8.920 ppm2 1.285 CV 1 ASSI { 72} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HA )) 2.300 0.700 0.700 peak 72 spectrum 1 weight 0.11000E+01 volume 0.32059E-02 ppm1 9.473 ppm2 4.867 CV 1 ASSI { 73} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HB )) 2.600 0.800 0.800 peak 73 spectrum 1 weight 0.11000E+01 volume 0.28560E-02 ppm1 9.474 ppm2 4.648 CV 1 ASSI { 74} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HB1 )) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.11000E+01 volume 0.23711E-02 ppm1 9.468 ppm2 3.384 CV 1 ASSI { 75} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HA )) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.11000E+01 volume 0.15493E-02 ppm1 9.472 ppm2 4.452 CV 1 ASSI { 76} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HB2 )) 2.500 0.800 0.800 peak 76 spectrum 1 weight 0.11000E+01 volume 0.25019E-02 ppm1 9.468 ppm2 3.053 CV 1 ASSI { 77} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 65 and name HE% ) 2.900 1.100 1.100 peak 77 spectrum 1 weight 0.11000E+01 volume 0.16474E-02 ppm1 9.470 ppm2 2.035 CV 1 ASSI { 78} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 41 and name HG2%) 3.600 1.600 1.600 peak 78 spectrum 1 weight 0.11000E+01 volume 0.15928E-02 ppm1 9.470 ppm2 1.270 CV 1 ASSI { 80} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 18 and name HA )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.11000E+01 volume 0.21208E-02 ppm1 8.742 ppm2 4.464 CV 1 ASSI { 81} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HB2 )) 2.700 0.900 0.900 peak 81 spectrum 1 weight 0.11000E+01 volume 0.30390E-02 ppm1 8.738 ppm2 2.069 CV 1 ASSI { 82} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HA )) 2.600 0.900 0.900 peak 82 spectrum 1 weight 0.11000E+01 volume 0.28201E-02 ppm1 8.014 ppm2 4.356 CV 1 ASSI { 83} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HB2 )) 4.200 2.200 1.800 peak 83 spectrum 1 weight 0.11000E+01 volume 0.16804E-03 ppm1 8.003 ppm2 1.508 CV 1 ASSI { 85} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB2 )) 3.000 1.200 1.200 peak 85 spectrum 1 weight 0.11000E+01 volume 0.12116E-02 ppm1 7.957 ppm2 1.555 CV 1 ASSI { 86} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HA )) 3.000 1.100 1.100 peak 86 spectrum 1 weight 0.11000E+01 volume 0.14045E-02 ppm1 7.949 ppm2 4.383 CV 1 ASSI { 87} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HG )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.11000E+01 volume 0.22793E-02 ppm1 7.944 ppm2 1.669 CV 1 ASSI { 88} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HA )) 2.900 1.100 1.100 peak 88 spectrum 1 weight 0.11000E+01 volume 0.15159E-02 ppm1 7.942 ppm2 4.233 CV 1 ASSI { 90} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB1 )) 3.400 1.400 1.400 peak 90 spectrum 1 weight 0.11000E+01 volume 0.86419E-03 ppm1 7.944 ppm2 1.333 CV 1 ASSI { 91} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 56 and name HD1%) 2.800 2.800 3.200 peak 91 spectrum 1 weight 0.11000E+01 volume 0.36488E-02 ppm1 7.942 ppm2 0.771 CV 1 ASSI { 92} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HB1 )) 6.000 4.700 0.000 peak 92 spectrum 1 weight 0.11000E+01 volume 0.58343E-04 ppm1 7.939 ppm2 1.866 CV 1 ASSI { 94} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HG1 )) 5.000 3.100 1.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.16123E-03 ppm1 7.057 ppm2 2.701 CV 1 ASSI { 95} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 61 and name HG2%) 4.300 4.300 1.700 peak 95 spectrum 1 weight 0.11000E+01 volume 0.14748E-02 ppm1 7.056 ppm2 0.780 CV 1 ASSI { 96} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HA )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.11000E+01 volume 0.18926E-02 ppm1 7.054 ppm2 4.282 CV 1 ASSI { 97} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HA )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.11000E+01 volume 0.41769E-03 ppm1 7.054 ppm2 4.141 CV 1 ASSI { 98} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HG2 )) 5.700 4.000 0.300 peak 98 spectrum 1 weight 0.11000E+01 volume 0.60519E-04 ppm1 7.054 ppm2 2.827 CV 1 ASSI { 99} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HB1 )) 3.000 1.100 1.100 peak 99 spectrum 1 weight 0.11000E+01 volume 0.19020E-02 ppm1 7.054 ppm2 2.543 CV 1 ASSI { 101} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HB2 )) 2.200 0.600 0.600 peak 101 spectrum 1 weight 0.11000E+01 volume 0.38765E-02 ppm1 7.055 ppm2 2.071 CV 1 ASSI { 102} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HG12)) 5.100 3.200 0.900 peak 102 spectrum 1 weight 0.11000E+01 volume 0.17524E-03 ppm1 7.051 ppm2 1.832 CV 1 ASSI { 104} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 59 and name HA )) 3.800 1.800 1.800 peak 104 spectrum 1 weight 0.11000E+01 volume 0.47262E-03 ppm1 8.441 ppm2 4.149 CV 1 ASSI { 105} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 58 and name HA )) 4.700 2.800 1.300 peak 105 spectrum 1 weight 0.11000E+01 volume 0.12685E-03 ppm1 8.440 ppm2 3.872 CV 1 ASSI { 106} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HA )) 5.000 3.100 1.000 peak 106 spectrum 1 weight 0.11000E+01 volume 0.64236E-04 ppm1 8.442 ppm2 3.576 CV 1 ASSI { 107} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HB1 )) 2.500 0.800 0.800 peak 107 spectrum 1 weight 0.11000E+01 volume 0.36557E-02 ppm1 8.440 ppm2 1.894 CV 1 ASSI { 108} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HG2 )) 3.500 1.500 1.500 peak 108 spectrum 1 weight 0.11000E+01 volume 0.49502E-03 ppm1 8.440 ppm2 1.329 CV 1 ASSI { 109} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 61 and name HG2%) 3.500 1.500 1.500 peak 109 spectrum 1 weight 0.11000E+01 volume 0.11521E-02 ppm1 8.440 ppm2 0.788 CV 1 ASSI { 110} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HA )) 2.700 0.900 0.900 peak 110 spectrum 1 weight 0.11000E+01 volume 0.17078E-02 ppm1 8.439 ppm2 3.969 CV 1 ASSI { 114} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HB2 )) 5.200 5.200 0.800 peak 114 spectrum 1 weight 0.11000E+01 volume 0.33140E-04 ppm1 8.216 ppm2 2.038 CV 1 ASSI { 115} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HA )) 3.100 1.200 1.200 peak 115 spectrum 1 weight 0.11000E+01 volume 0.82691E-03 ppm1 9.315 ppm2 4.587 CV 1 ASSI { 116} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.11000E+01 volume 0.42296E-02 ppm1 9.313 ppm2 4.247 CV 1 ASSI { 117} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HG1 )) 3.800 1.800 1.800 peak 117 spectrum 1 weight 0.11000E+01 volume 0.84631E-03 ppm1 9.314 ppm2 2.698 CV 1 ASSI { 118} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HB2 )) 2.800 1.000 1.000 peak 118 spectrum 1 weight 0.11000E+01 volume 0.12898E-02 ppm1 9.312 ppm2 2.344 CV 1 ASSI { 120} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HB1 )) 3.700 1.700 1.700 peak 120 spectrum 1 weight 0.11000E+01 volume 0.43606E-03 ppm1 9.313 ppm2 1.330 CV 1 ASSI { 121} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 56 and name HD1%) 3.400 1.400 1.400 peak 121 spectrum 1 weight 0.11000E+01 volume 0.22149E-02 ppm1 9.312 ppm2 0.781 CV 1 ASSI { 122} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HG2 )) 3.500 1.500 1.500 peak 122 spectrum 1 weight 0.11000E+01 volume 0.10600E-02 ppm1 9.310 ppm2 2.827 CV 1 ASSI { 123} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 60 and name HB1 )) 4.800 2.900 1.200 peak 123 spectrum 1 weight 0.11000E+01 volume 0.10818E-03 ppm1 9.304 ppm2 2.536 CV 1 ASSI { 124} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HB2 )) 5.700 4.100 0.300 peak 124 spectrum 1 weight 0.11000E+01 volume 0.28689E-04 ppm1 9.305 ppm2 1.575 CV 1 ASSI { 125} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 11 and name HB2 )) 2.600 2.600 3.400 peak 125 spectrum 1 weight 0.11000E+01 volume 0.76090E-03 ppm1 8.265 ppm2 1.770 CV 1 ASSI { 126} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 11 and name HD2 )) 6.000 6.000 0.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.63809E-04 ppm1 8.269 ppm2 1.638 CV 1 ASSI { 127} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 10 and name HA )) 2.100 2.100 3.900 peak 127 spectrum 1 weight 0.11000E+01 volume 0.16035E-01 ppm1 8.263 ppm2 4.548 CV 1 ASSI { 128} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 11 and name HA )) 4.500 2.500 1.500 peak 128 spectrum 1 weight 0.11000E+01 volume 0.82139E-03 ppm1 8.263 ppm2 4.146 CV 1 ASSI { 132} (( segid "A " and resid 13 and name HN )) ( segid "A " and resid 14 and name HB% ) 4.700 2.800 1.300 peak 132 spectrum 1 weight 0.11000E+01 volume 0.70919E-03 ppm1 8.262 ppm2 1.383 CV 1 ASSI { 133} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HB2 )) 4.200 2.200 1.800 peak 133 spectrum 1 weight 0.11000E+01 volume 0.53982E-03 ppm1 8.228 ppm2 3.182 CV 1 ASSI { 134} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 13 and name HG2 )) 4.100 2.100 1.900 peak 134 spectrum 1 weight 0.11000E+01 volume 0.49282E-03 ppm1 8.229 ppm2 2.503 CV 1 ASSI { 135} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HA )) 2.900 1.000 1.000 peak 135 spectrum 1 weight 0.11000E+01 volume 0.24221E-02 ppm1 8.224 ppm2 4.651 CV 1 ASSI { 136} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 13 and name HA )) 2.800 1.000 1.000 peak 136 spectrum 1 weight 0.11000E+01 volume 0.18799E-02 ppm1 8.229 ppm2 4.319 CV 1 ASSI { 138} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 13 and name HG1 )) 4.400 2.400 1.600 peak 138 spectrum 1 weight 0.11000E+01 volume 0.40422E-03 ppm1 8.225 ppm2 2.595 CV 1 ASSI { 139} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HB1 )) 3.900 1.900 1.900 peak 139 spectrum 1 weight 0.11000E+01 volume 0.34011E-03 ppm1 8.219 ppm2 3.315 CV 1 ASSI { 140} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 13 and name HB2 )) 6.000 5.600 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.56952E-04 ppm1 8.147 ppm2 2.058 CV 1 OR { 140} (( segid "A " and resid 11 and name HN )) ( segid "A " and resid 13 and name HE% ) ASSI { 141} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 5 and name HA )) 2.400 2.400 3.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 8.142 ppm2 4.776 CV 1 ASSI { 142} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 10 and name HA )) 2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.54799E-02 ppm1 8.140 ppm2 4.520 CV 1 ASSI { 143} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HB2 )) 2.000 0.500 0.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.95431E-02 ppm1 8.140 ppm2 1.739 CV 1 ASSI { 144} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HG2 )) 2.300 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.33545E-02 ppm1 8.139 ppm2 1.371 CV 1 ASSI { 145} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HA )) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.39951E-02 ppm1 8.138 ppm2 4.157 CV 1 ASSI { 146} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 10 and name HB2 )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.32965E-02 ppm1 8.139 ppm2 2.703 CV 1 ASSI { 148} (( segid "A " and resid 83 and name HN )) ( segid "A " and resid 83 and name HB% ) 2.800 1.000 1.000 peak 148 spectrum 1 weight 0.11000E+01 volume 0.16264E-02 ppm1 7.733 ppm2 1.468 CV 1 ASSI { 159} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 12 and name HA )) 4.000 4.000 2.000 peak 159 spectrum 1 weight 0.11000E+01 volume 0.15621E-02 ppm1 8.322 ppm2 4.649 CV 1 ASSI { 160} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 10 and name HA )) 4.600 2.600 1.400 peak 160 spectrum 1 weight 0.11000E+01 volume 0.12163E-03 ppm1 8.203 ppm2 4.534 CV 1 ASSI { 167} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HA )) 3.400 1.500 1.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.84077E-03 ppm1 7.921 ppm2 4.156 CV 1 ASSI { 170} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB1 )) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.11000E+01 volume 0.11111E-02 ppm1 7.923 ppm2 1.823 CV 1 ASSI { 171} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HG1 )) 4.000 2.000 2.000 peak 171 spectrum 1 weight 0.11000E+01 volume 0.67232E-03 ppm1 7.919 ppm2 1.559 CV 1 ASSI { 172} (( segid "A " and resid 49 and name HN )) ( segid "A " and resid 49 and name HD2%) 4.700 2.700 1.300 peak 172 spectrum 1 weight 0.11000E+01 volume 0.37411E-03 ppm1 8.222 ppm2 0.770 CV 1 ASSI { 173} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB2 )) 3.100 1.200 1.200 peak 173 spectrum 1 weight 0.11000E+01 volume 0.47518E-03 ppm1 8.208 ppm2 1.885 CV 1 ASSI { 174} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HA )) 2.700 0.900 0.900 peak 174 spectrum 1 weight 0.11000E+01 volume 0.23953E-02 ppm1 8.016 ppm2 4.343 CV 1 ASSI { 175} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HA )) 2.600 0.800 0.800 peak 175 spectrum 1 weight 0.11000E+01 volume 0.43655E-02 ppm1 8.016 ppm2 4.208 CV 1 ASSI { 176} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 12 and name HB2 )) 4.000 2.000 2.000 peak 176 spectrum 1 weight 0.11000E+01 volume 0.60749E-04 ppm1 8.014 ppm2 3.180 CV 1 ASSI { 177} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.11000E+01 volume 0.19646E-02 ppm1 8.019 ppm2 1.897 CV 1 ASSI { 178} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HB1 )) 2.900 1.000 1.000 peak 178 spectrum 1 weight 0.11000E+01 volume 0.32215E-02 ppm1 8.016 ppm2 1.799 CV 1 ASSI { 179} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HG2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.11000E+01 volume 0.27196E-02 ppm1 8.020 ppm2 1.657 CV 1 ASSI { 180} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HD2 )) 6.000 5.000 0.000 peak 180 spectrum 1 weight 0.11000E+01 volume 0.56986E-04 ppm1 8.019 ppm2 1.403 CV 1 ASSI { 181} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HB1 )) 3.900 1.900 1.900 peak 181 spectrum 1 weight 0.11000E+01 volume 0.25744E-03 ppm1 7.900 ppm2 2.637 CV 1 ASSI { 182} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HA )) 5.100 3.200 0.900 peak 182 spectrum 1 weight 0.11000E+01 volume 0.89077E-04 ppm1 7.892 ppm2 4.333 CV 1 ASSI { 183} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HA )) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.11000E+01 volume 0.56103E-02 ppm1 7.892 ppm2 4.087 CV 1 ASSI { 184} (( segid "A " and resid 67 and name HN )) ( segid "A " and resid 67 and name HB% ) 2.300 2.300 3.700 peak 184 spectrum 1 weight 0.11000E+01 volume 0.73374E-02 ppm1 7.891 ppm2 1.405 CV 1 ASSI { 185} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HB2 )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.11000E+01 volume 0.55470E-03 ppm1 7.889 ppm2 2.743 CV 1 ASSI { 188} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HB2 )) 2.600 0.800 0.800 peak 188 spectrum 1 weight 0.11000E+01 volume 0.16520E-02 ppm1 7.833 ppm2 2.541 CV 1 ASSI { 190} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HA )) 3.900 1.900 1.900 peak 190 spectrum 1 weight 0.11000E+01 volume 0.15505E-03 ppm1 7.828 ppm2 4.452 CV 1 ASSI { 196} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HA )) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.11000E+01 volume 0.20940E-03 ppm1 8.769 ppm2 3.596 CV 1 ASSI { 197} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 77 and name HB2 )) 3.800 1.800 1.800 peak 197 spectrum 1 weight 0.11000E+01 volume 0.10874E-02 ppm1 8.766 ppm2 3.362 CV 1 ASSI { 198} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 20 and name HA )) 2.700 0.900 0.900 peak 198 spectrum 1 weight 0.11000E+01 volume 0.28689E-02 ppm1 8.517 ppm2 4.178 CV 1 ASSI { 201} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HA )) 3.800 1.800 1.800 peak 201 spectrum 1 weight 0.11000E+01 volume 0.27555E-03 ppm1 8.364 ppm2 4.023 CV 1 ASSI { 202} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB2 )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.11000E+01 volume 0.12996E-02 ppm1 8.352 ppm2 1.943 CV 1 ASSI { 203} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 64 and name HD2%) 4.500 2.500 1.500 peak 203 spectrum 1 weight 0.11000E+01 volume 0.29326E-04 ppm1 8.349 ppm2 0.802 CV 1 ASSI { 208} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 51 and name HA )) 6.000 5.600 0.000 peak 208 spectrum 1 weight 0.11000E+01 volume 0.60112E-04 ppm1 7.583 ppm2 4.066 CV 1 ASSI { 211} (( segid "A " and resid 50 and name HN )) ( segid "A " and resid 49 and name HD2%) 2.500 2.500 3.500 peak 211 spectrum 1 weight 0.11000E+01 volume 0.88952E-03 ppm1 7.585 ppm2 0.783 CV 1 ASSI { 212} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HA )) 3.800 1.800 1.800 peak 212 spectrum 1 weight 0.11000E+01 volume 0.35375E-03 ppm1 7.581 ppm2 4.407 CV 1 ASSI { 213} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HA )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.28770E-02 ppm1 7.581 ppm2 4.155 CV 1 ASSI { 214} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 48 and name HA2 )) 6.000 6.000 0.000 peak 214 spectrum 1 weight 0.11000E+01 volume 0.28770E-04 ppm1 7.581 ppm2 3.867 CV 1 ASSI { 215} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HB2 )) 2.000 0.500 0.500 peak 215 spectrum 1 weight 0.11000E+01 volume 0.88079E-02 ppm1 7.581 ppm2 2.019 CV 1 ASSI { 216} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HD2 )) 3.500 1.600 1.600 peak 216 spectrum 1 weight 0.11000E+01 volume 0.15621E-02 ppm1 7.578 ppm2 1.746 CV 1 ASSI { 217} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HG1 )) 4.000 2.000 2.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.85819E-03 ppm1 7.581 ppm2 1.550 CV 1 ASSI { 218} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 77 and name HA )) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 8.771 ppm2 5.321 CV 1 ASSI { 220} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HB1 )) 2.900 1.100 1.100 peak 220 spectrum 1 weight 0.11000E+01 volume 0.17415E-02 ppm1 8.766 ppm2 2.316 CV 1 ASSI { 223} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HA )) 3.600 1.600 1.600 peak 223 spectrum 1 weight 0.11000E+01 volume 0.65622E-03 ppm1 8.440 ppm2 4.148 CV 1 ASSI { 224} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB1 )) 3.200 1.300 1.300 peak 224 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 8.440 ppm2 3.256 CV 1 ASSI { 225} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HA )) 2.900 1.100 1.100 peak 225 spectrum 1 weight 0.11000E+01 volume 0.11063E-02 ppm1 8.443 ppm2 3.087 CV 1 ASSI { 227} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HB2 )) 3.200 1.300 1.300 peak 227 spectrum 1 weight 0.11000E+01 volume 0.42008E-03 ppm1 8.447 ppm2 1.716 CV 1 ASSI { 228} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB2 )) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.11000E+01 volume 0.12250E-02 ppm1 8.436 ppm2 2.741 CV 1 ASSI { 229} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 28 and name HD2%) 4.700 2.800 1.300 peak 229 spectrum 1 weight 0.11000E+01 volume 0.44797E-03 ppm1 8.435 ppm2 0.931 CV 1 ASSI { 230} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB1 )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.11000E+01 volume 0.86781E-03 ppm1 8.358 ppm2 2.505 CV 1 OR { 230} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HG1 )) ASSI { 232} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HB )) 3.600 1.600 1.600 peak 232 spectrum 1 weight 0.11000E+01 volume 0.51847E-03 ppm1 8.730 ppm2 4.648 CV 1 ASSI { 233} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HA )) 2.300 0.700 0.700 peak 233 spectrum 1 weight 0.11000E+01 volume 0.25049E-02 ppm1 8.730 ppm2 4.990 CV 1 ASSI { 234} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 44 and name HB1 )) 3.200 1.300 1.300 peak 234 spectrum 1 weight 0.11000E+01 volume 0.16117E-02 ppm1 8.725 ppm2 2.352 CV 1 OR { 234} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 44 and name HG2 )) ASSI { 235} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 44 and name HB2 )) 3.000 1.100 1.100 peak 235 spectrum 1 weight 0.11000E+01 volume 0.72349E-03 ppm1 8.729 ppm2 2.102 CV 1 ASSI { 236} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 41 and name HG2%) 3.200 1.200 1.200 peak 236 spectrum 1 weight 0.11000E+01 volume 0.12275E-02 ppm1 8.731 ppm2 1.271 CV 1 ASSI { 237} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 40 and name HG2%) 2.900 1.100 1.100 peak 237 spectrum 1 weight 0.11000E+01 volume 0.10501E-02 ppm1 8.732 ppm2 0.828 CV 1 ASSI { 238} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HA )) 3.200 1.300 1.300 peak 238 spectrum 1 weight 0.11000E+01 volume 0.53335E-03 ppm1 8.730 ppm2 4.860 CV 1 ASSI { 240} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HB )) 4.500 2.600 1.500 peak 240 spectrum 1 weight 0.11000E+01 volume 0.67476E-04 ppm1 8.373 ppm2 1.771 CV 1 ASSI { 241} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.17316E-03 ppm1 8.120 ppm2 2.559 CV 1 ASSI { 249} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 2 and name HB2 )) 2.200 2.200 3.800 peak 249 spectrum 1 weight 0.11000E+01 volume 0.23740E-02 ppm1 8.268 ppm2 3.901 CV 1 ASSI { 250} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 250 spectrum 1 weight 0.11000E+01 volume 0.15447E-02 ppm1 8.268 ppm2 3.208 CV 1 ASSI { 251} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HB1 )) 3.100 1.200 1.200 peak 251 spectrum 1 weight 0.11000E+01 volume 0.21384E-02 ppm1 8.269 ppm2 3.114 CV 1 ASSI { 252} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HA )) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 7.832 ppm2 4.379 CV 1 ASSI { 253} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 60 and name HA )) 3.200 1.300 1.300 peak 253 spectrum 1 weight 0.11000E+01 volume 0.78686E-03 ppm1 7.832 ppm2 4.282 CV 1 ASSI { 254} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HB2 )) 2.600 0.800 0.800 peak 254 spectrum 1 weight 0.11000E+01 volume 0.21532E-02 ppm1 7.834 ppm2 2.827 CV 1 ASSI { 255} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB1 )) 3.700 1.800 1.800 peak 255 spectrum 1 weight 0.11000E+01 volume 0.77752E-03 ppm1 7.836 ppm2 1.899 CV 1 ASSI { 256} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 59 and name HA )) 5.600 3.900 0.400 peak 256 spectrum 1 weight 0.11000E+01 volume 0.59358E-04 ppm1 7.830 ppm2 4.138 CV 1 ASSI { 257} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HA )) 4.400 2.400 1.600 peak 257 spectrum 1 weight 0.11000E+01 volume 0.18342E-03 ppm1 7.828 ppm2 3.972 CV 1 ASSI { 258} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HB1 )) 3.000 1.100 1.100 peak 258 spectrum 1 weight 0.11000E+01 volume 0.19511E-02 ppm1 7.829 ppm2 2.691 CV 1 ASSI { 259} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB2 )) 2.900 1.100 1.100 peak 259 spectrum 1 weight 0.11000E+01 volume 0.14483E-02 ppm1 7.829 ppm2 2.037 CV 1 ASSI { 262} (( segid "A " and resid 3 and name HN )) (( segid "A " and resid 3 and name HA )) 2.700 0.900 0.900 peak 262 spectrum 1 weight 0.11000E+01 volume 0.33389E-02 ppm1 8.544 ppm2 4.485 CV 1 ASSI { 263} (( segid "A " and resid 3 and name HN )) (( segid "A " and resid 2 and name HB2 )) 3.300 1.400 1.400 peak 263 spectrum 1 weight 0.11000E+01 volume 0.17201E-02 ppm1 8.546 ppm2 3.888 CV 1 ASSI { 265} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HG2 )) 2.900 1.000 1.000 peak 265 spectrum 1 weight 0.11000E+01 volume 0.20965E-02 ppm1 8.142 ppm2 2.329 CV 1 ASSI { 266} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HB2 )) 2.300 0.600 0.600 peak 266 spectrum 1 weight 0.11000E+01 volume 0.54243E-02 ppm1 8.141 ppm2 2.058 CV 1 ASSI { 267} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 14 and name HB% ) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.11000E+01 volume 0.22468E-02 ppm1 8.142 ppm2 1.404 CV 1 ASSI { 268} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HG2 )) 3.600 1.700 1.700 peak 268 spectrum 1 weight 0.11000E+01 volume 0.67562E-03 ppm1 7.959 ppm2 2.424 CV 1 ASSI { 273} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 41 and name HA )) 4.500 2.500 1.500 peak 273 spectrum 1 weight 0.11000E+01 volume 0.24389E-03 ppm1 7.625 ppm2 4.878 CV 1 ASSI { 274} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HB1 )) 3.300 1.400 1.400 peak 274 spectrum 1 weight 0.11000E+01 volume 0.47091E-03 ppm1 7.628 ppm2 2.622 CV 1 ASSI { 276} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HB2 )) 2.900 1.100 1.100 peak 276 spectrum 1 weight 0.11000E+01 volume 0.11151E-02 ppm1 7.629 ppm2 2.093 CV 1 ASSI { 278} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HG2 )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.29883E-02 ppm1 7.626 ppm2 2.355 CV 1 ASSI { 279} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 45 and name HB1 )) 4.300 2.300 1.700 peak 279 spectrum 1 weight 0.11000E+01 volume 0.67645E-03 ppm1 7.621 ppm2 1.408 CV 1 ASSI { 280} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 41 and name HG2%) 2.800 2.800 3.200 peak 280 spectrum 1 weight 0.11000E+01 volume 0.46330E-03 ppm1 7.621 ppm2 1.277 CV 1 ASSI { 281} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 40 and name HG2%) 4.100 2.100 1.900 peak 281 spectrum 1 weight 0.11000E+01 volume 0.57135E-03 ppm1 7.625 ppm2 0.814 CV 1 ASSI { 282} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HA )) 2.600 0.900 0.900 peak 282 spectrum 1 weight 0.11000E+01 volume 0.30305E-02 ppm1 8.331 ppm2 4.649 CV 1 ASSI { 283} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HA )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.11000E+01 volume 0.24746E-02 ppm1 8.331 ppm2 4.158 CV 1 ASSI { 284} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HB1 )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.11000E+01 volume 0.19395E-02 ppm1 8.330 ppm2 3.315 CV 1 ASSI { 285} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 10 and name HA )) 4.000 2.000 2.000 peak 285 spectrum 1 weight 0.11000E+01 volume 0.43018E-03 ppm1 8.327 ppm2 4.528 CV 1 ASSI { 286} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 286 spectrum 1 weight 0.11000E+01 volume 0.17788E-02 ppm1 8.328 ppm2 1.754 CV 1 ASSI { 287} (( segid "A " and resid 84 and name HN )) ( segid "A " and resid 84 and name HB% ) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.11000E+01 volume 0.10167E-02 ppm1 7.868 ppm2 1.400 CV 1 ASSI { 290} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HA )) 4.200 2.300 1.800 peak 290 spectrum 1 weight 0.11000E+01 volume 0.24985E-03 ppm1 8.390 ppm2 3.845 CV 1 ASSI { 291} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HA )) 2.900 1.000 1.000 peak 291 spectrum 1 weight 0.11000E+01 volume 0.12134E-02 ppm1 8.391 ppm2 3.776 CV 1 ASSI { 293} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HG2 )) 3.300 1.400 1.400 peak 293 spectrum 1 weight 0.11000E+01 volume 0.36130E-03 ppm1 8.391 ppm2 1.183 CV 1 ASSI { 295} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HB2 )) 3.600 1.700 1.700 peak 295 spectrum 1 weight 0.11000E+01 volume 0.11426E-02 ppm1 8.392 ppm2 1.987 CV 1 ASSI { 297} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 45 and name HD1%) 4.800 2.800 1.200 peak 297 spectrum 1 weight 0.11000E+01 volume 0.46222E-03 ppm1 8.388 ppm2 0.907 CV 1 ASSI { 298} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HB2 )) 4.600 2.600 1.400 peak 298 spectrum 1 weight 0.11000E+01 volume 0.34875E-03 ppm1 7.482 ppm2 2.123 CV 1 ASSI { 299} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 32 and name HG2%) 4.000 2.000 2.000 peak 299 spectrum 1 weight 0.11000E+01 volume 0.12271E-02 ppm1 7.480 ppm2 0.757 CV 1 ASSI { 301} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HA )) 3.400 1.500 1.500 peak 301 spectrum 1 weight 0.11000E+01 volume 0.50688E-03 ppm1 7.481 ppm2 3.613 CV 1 ASSI { 302} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HG12)) 3.400 1.500 1.500 peak 302 spectrum 1 weight 0.11000E+01 volume 0.12943E-02 ppm1 7.476 ppm2 1.886 CV 1 ASSI { 304} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 40 and name HG11)) 6.000 5.400 0.000 peak 304 spectrum 1 weight 0.11000E+01 volume 0.10949E-03 ppm1 7.475 ppm2 0.943 CV 1 ASSI { 305} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 32 and name HD1%) 3.200 1.300 1.300 peak 305 spectrum 1 weight 0.11000E+01 volume 0.20831E-02 ppm1 7.477 ppm2 0.649 CV 1 ASSI { 306} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HA )) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.14638E-02 ppm1 8.578 ppm2 4.382 CV 1 ASSI { 307} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 67 and name HB% ) 4.800 2.800 1.200 peak 307 spectrum 1 weight 0.11000E+01 volume 0.11841E-03 ppm1 8.234 ppm2 1.401 CV 1 ASSI { 308} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 68 and name HB% ) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.11000E+01 volume 0.33733E-03 ppm1 8.234 ppm2 1.330 CV 1 ASSI { 310} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HA )) 1.900 0.500 0.500 peak 310 spectrum 1 weight 0.11000E+01 volume 0.63518E-02 ppm1 8.096 ppm2 4.454 CV 1 ASSI { 311} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HB2 )) 4.100 2.100 1.900 peak 311 spectrum 1 weight 0.11000E+01 volume 0.83020E-03 ppm1 8.098 ppm2 2.517 CV 1 ASSI { 312} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 44 and name HB1 )) 3.100 1.200 1.200 peak 312 spectrum 1 weight 0.11000E+01 volume 0.10446E-02 ppm1 8.098 ppm2 2.363 CV 1 OR { 312} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 44 and name HG2 )) ASSI { 313} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HB1 )) 4.800 2.900 1.200 peak 313 spectrum 1 weight 0.11000E+01 volume 0.33821E-03 ppm1 8.098 ppm2 1.469 CV 1 ASSI { 314} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 34 and name HG2%) 3.300 1.300 1.300 peak 314 spectrum 1 weight 0.11000E+01 volume 0.55939E-02 ppm1 8.097 ppm2 1.283 CV 1 ASSI { 316} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HA )) 3.000 1.100 1.100 peak 316 spectrum 1 weight 0.11000E+01 volume 0.11320E-02 ppm1 8.095 ppm2 4.294 CV 1 ASSI { 317} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HB )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.11000E+01 volume 0.32457E-02 ppm1 8.095 ppm2 3.999 CV 1 ASSI { 318} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB1 )) 3.400 1.500 1.500 peak 318 spectrum 1 weight 0.11000E+01 volume 0.37828E-03 ppm1 7.766 ppm2 2.274 CV 1 ASSI { 319} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 28 and name HB2 )) 3.000 3.000 3.000 peak 319 spectrum 1 weight 0.11000E+01 volume 0.36427E-03 ppm1 7.766 ppm2 1.719 CV 1 ASSI { 320} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HG1 )) 4.800 2.900 1.200 peak 320 spectrum 1 weight 0.11000E+01 volume 0.57537E-03 ppm1 7.758 ppm2 2.460 CV 1 ASSI { 321} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB2 )) 2.200 0.600 0.600 peak 321 spectrum 1 weight 0.11000E+01 volume 0.53301E-02 ppm1 7.759 ppm2 2.117 CV 1 ASSI { 322} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 31 and name HE% ) 3.700 1.700 1.700 peak 322 spectrum 1 weight 0.11000E+01 volume 0.28643E-02 ppm1 7.760 ppm2 2.017 CV 1 ASSI { 323} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.11000E+01 volume 0.30549E-02 ppm1 7.762 ppm2 1.896 CV 1 ASSI { 326} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 28 and name HA )) 3.100 1.200 1.200 peak 326 spectrum 1 weight 0.11000E+01 volume 0.10845E-02 ppm1 7.758 ppm2 4.126 CV 1 ASSI { 328} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HA )) 2.600 0.900 0.900 peak 328 spectrum 1 weight 0.11000E+01 volume 0.32479E-02 ppm1 7.733 ppm2 4.724 CV 1 ASSI { 329} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 33 and name HA )) 3.300 1.300 1.300 peak 329 spectrum 1 weight 0.11000E+01 volume 0.10057E-02 ppm1 7.734 ppm2 4.452 CV 1 ASSI { 331} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HB )) 2.700 0.900 0.900 peak 331 spectrum 1 weight 0.11000E+01 volume 0.22535E-02 ppm1 7.734 ppm2 3.996 CV 1 ASSI { 332} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.11000E+01 volume 0.20725E-02 ppm1 7.733 ppm2 3.075 CV 1 ASSI { 333} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HB1 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.11000E+01 volume 0.22917E-02 ppm1 7.734 ppm2 2.678 CV 1 ASSI { 334} (( segid "A " and resid 35 and name HN )) ( segid "A " and resid 34 and name HG2%) 4.000 2.000 2.000 peak 334 spectrum 1 weight 0.11000E+01 volume 0.95334E-03 ppm1 7.734 ppm2 1.282 CV 1 ASSI { 338} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HA2 )) 2.200 2.200 3.800 peak 338 spectrum 1 weight 0.11000E+01 volume 0.46100E-02 ppm1 11.081 ppm2 4.413 CV 1 ASSI { 339} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 37 and name HB2 )) 5.200 3.300 0.800 peak 339 spectrum 1 weight 0.11000E+01 volume 0.15744E-03 ppm1 11.081 ppm2 3.938 CV 1 ASSI { 340} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HA1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.11000E+01 volume 0.30866E-02 ppm1 11.081 ppm2 3.700 CV 1 ASSI { 341} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HA )) 2.700 0.900 0.900 peak 341 spectrum 1 weight 0.11000E+01 volume 0.25132E-02 ppm1 8.376 ppm2 4.318 CV 1 ASSI { 342} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HA )) 3.400 1.400 1.400 peak 342 spectrum 1 weight 0.11000E+01 volume 0.10677E-02 ppm1 8.377 ppm2 4.039 CV 1 ASSI { 343} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HG2 )) 4.400 2.500 1.600 peak 343 spectrum 1 weight 0.11000E+01 volume 0.41901E-03 ppm1 8.376 ppm2 2.838 CV 1 ASSI { 344} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HB2 )) 2.400 0.700 0.700 peak 344 spectrum 1 weight 0.11000E+01 volume 0.46574E-02 ppm1 8.375 ppm2 2.746 CV 1 ASSI { 345} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HB1 )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.11000E+01 volume 0.34258E-02 ppm1 8.376 ppm2 2.505 CV 1 OR { 345} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HG1 )) ASSI { 346} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HB2 )) 3.700 1.700 1.700 peak 346 spectrum 1 weight 0.11000E+01 volume 0.91141E-03 ppm1 8.374 ppm2 1.939 CV 1 ASSI { 347} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 67 and name HB% ) 5.000 3.100 1.000 peak 347 spectrum 1 weight 0.11000E+01 volume 0.42130E-03 ppm1 8.378 ppm2 1.403 CV 1 ASSI { 350} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HA )) 4.100 2.100 1.900 peak 350 spectrum 1 weight 0.11000E+01 volume 0.34265E-03 ppm1 8.071 ppm2 4.349 CV 1 ASSI { 351} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 69 and name HB2 )) 2.900 1.000 1.000 peak 351 spectrum 1 weight 0.11000E+01 volume 0.21440E-02 ppm1 8.071 ppm2 3.012 CV 1 ASSI { 352} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 69 and name HB1 )) 2.800 1.000 1.000 peak 352 spectrum 1 weight 0.11000E+01 volume 0.23641E-02 ppm1 8.071 ppm2 2.375 CV 1 ASSI { 355} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 69 and name HA )) 4.100 2.100 1.900 peak 355 spectrum 1 weight 0.11000E+01 volume 0.17999E-03 ppm1 8.063 ppm2 4.768 CV 1 ASSI { 359} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 72 and name HA )) 3.300 1.400 1.400 peak 359 spectrum 1 weight 0.11000E+01 volume 0.57715E-03 ppm1 10.742 ppm2 3.897 CV 1 ASSI { 360} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HA1 )) 3.100 1.200 1.200 peak 360 spectrum 1 weight 0.11000E+01 volume 0.24700E-02 ppm1 10.745 ppm2 3.528 CV 1 ASSI { 361} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HA )) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.11000E+01 volume 0.63623E-03 ppm1 8.404 ppm2 4.454 CV 1 ASSI { 362} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HA )) 2.600 0.800 0.800 peak 362 spectrum 1 weight 0.11000E+01 volume 0.35393E-02 ppm1 8.405 ppm2 4.088 CV 1 ASSI { 363} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HB1 )) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.11000E+01 volume 0.13146E-02 ppm1 8.406 ppm2 3.392 CV 1 ASSI { 364} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HB2 )) 3.300 1.400 1.400 peak 364 spectrum 1 weight 0.11000E+01 volume 0.18973E-02 ppm1 8.406 ppm2 3.050 CV 1 ASSI { 366} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.61652E-02 ppm1 8.405 ppm2 2.481 CV 1 ASSI { 368} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 65 and name HE% ) 4.600 2.600 1.400 peak 368 spectrum 1 weight 0.11000E+01 volume 0.50863E-03 ppm1 8.407 ppm2 2.048 CV 1 ASSI { 369} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 41 and name HG2%) 4.100 2.100 1.900 peak 369 spectrum 1 weight 0.11000E+01 volume 0.60778E-03 ppm1 8.404 ppm2 1.265 CV 1 ASSI { 370} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 41 and name HB )) 3.500 1.500 1.500 peak 370 spectrum 1 weight 0.11000E+01 volume 0.46003E-03 ppm1 8.402 ppm2 4.651 CV 1 ASSI { 371} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 71 and name HA )) 2.600 0.900 0.900 peak 371 spectrum 1 weight 0.11000E+01 volume 0.31234E-02 ppm1 7.942 ppm2 4.634 CV 1 ASSI { 375} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HB1 )) 2.900 1.000 1.000 peak 375 spectrum 1 weight 0.11000E+01 volume 0.78838E-03 ppm1 7.944 ppm2 3.247 CV 1 ASSI { 377} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 377 spectrum 1 weight 0.11000E+01 volume 0.30393E-02 ppm1 7.943 ppm2 2.695 CV 1 ASSI { 378} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HB )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.11000E+01 volume 0.30864E-02 ppm1 7.942 ppm2 2.026 CV 1 ASSI { 380} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 69 and name HA )) 4.000 2.000 2.000 peak 380 spectrum 1 weight 0.11000E+01 volume 0.40549E-03 ppm1 7.941 ppm2 4.755 CV 1 ASSI { 381} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HE2 )) 4.900 3.100 1.100 peak 381 spectrum 1 weight 0.11000E+01 volume 0.30890E-03 ppm1 7.939 ppm2 2.972 CV 1 ASSI { 382} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.11000E+01 volume 0.40659E-02 ppm1 7.939 ppm2 1.902 CV 1 ASSI { 383} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HD1 )) 3.300 1.400 1.400 peak 383 spectrum 1 weight 0.11000E+01 volume 0.18749E-02 ppm1 7.939 ppm2 1.736 CV 1 ASSI { 385} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HG2 )) 3.400 1.500 1.500 peak 385 spectrum 1 weight 0.11000E+01 volume 0.69638E-03 ppm1 7.937 ppm2 1.543 CV 1 ASSI { 386} (( segid "A " and resid 71 and name HN )) ( segid "A " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 386 spectrum 1 weight 0.11000E+01 volume 0.12578E-02 ppm1 7.940 ppm2 1.021 CV 1 ASSI { 397} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 33 and name HB2 )) 6.000 6.000 0.000 peak 397 spectrum 1 weight 0.11000E+01 volume 0.28836E-04 ppm1 8.167 ppm2 2.542 CV 1 ASSI { 398} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HA )) 3.200 1.300 1.300 peak 398 spectrum 1 weight 0.11000E+01 volume 0.14369E-02 ppm1 8.159 ppm2 4.721 CV 1 ASSI { 399} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 33 and name HA )) 4.800 2.900 1.200 peak 399 spectrum 1 weight 0.11000E+01 volume 0.17673E-03 ppm1 8.155 ppm2 4.431 CV 1 ASSI { 400} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HA )) 1.900 0.400 0.400 peak 400 spectrum 1 weight 0.11000E+01 volume 0.10269E-01 ppm1 8.159 ppm2 4.341 CV 1 ASSI { 401} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 34 and name HB )) 2.500 2.500 3.500 peak 401 spectrum 1 weight 0.11000E+01 volume 0.10850E-02 ppm1 8.158 ppm2 3.989 CV 1 ASSI { 403} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HB1 )) 3.200 1.300 1.300 peak 403 spectrum 1 weight 0.11000E+01 volume 0.20982E-02 ppm1 8.159 ppm2 2.742 CV 1 ASSI { 404} (( segid "A " and resid 36 and name HN )) ( segid "A " and resid 34 and name HG2%) 3.200 3.200 2.800 peak 404 spectrum 1 weight 0.11000E+01 volume 0.22907E-03 ppm1 8.159 ppm2 1.280 CV 1 ASSI { 405} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 71 and name HA )) 3.700 1.700 1.700 peak 405 spectrum 1 weight 0.11000E+01 volume 0.57901E-03 ppm1 7.869 ppm2 4.637 CV 1 ASSI { 406} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HA )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.11000E+01 volume 0.72942E-02 ppm1 7.869 ppm2 3.897 CV 1 ASSI { 407} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HB2 )) 2.900 1.100 1.100 peak 407 spectrum 1 weight 0.11000E+01 volume 0.32137E-02 ppm1 7.869 ppm2 1.950 CV 1 ASSI { 408} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HD1 )) 4.700 2.800 1.300 peak 408 spectrum 1 weight 0.11000E+01 volume 0.18490E-03 ppm1 7.871 ppm2 1.656 CV 1 ASSI { 409} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HG1 )) 3.300 1.300 1.300 peak 409 spectrum 1 weight 0.11000E+01 volume 0.11695E-02 ppm1 7.866 ppm2 1.445 CV 1 ASSI { 410} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HG2 )) 2.900 1.100 1.100 peak 410 spectrum 1 weight 0.11000E+01 volume 0.15336E-02 ppm1 7.870 ppm2 1.350 CV 1 ASSI { 411} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HD2 )) 3.800 1.800 1.800 peak 411 spectrum 1 weight 0.11000E+01 volume 0.73965E-03 ppm1 7.867 ppm2 1.755 CV 1 ASSI { 414} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB1 )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.11000E+01 volume 0.51078E-02 ppm1 8.868 ppm2 4.307 CV 1 OR { 414} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HA )) ASSI { 415} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HA )) 2.600 0.900 0.900 peak 415 spectrum 1 weight 0.11000E+01 volume 0.30166E-02 ppm1 8.867 ppm2 3.897 CV 1 ASSI { 416} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB2 )) 3.400 1.500 1.500 peak 416 spectrum 1 weight 0.11000E+01 volume 0.24069E-02 ppm1 8.864 ppm2 3.993 CV 1 ASSI { 417} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 417 spectrum 1 weight 0.11000E+01 volume 0.32728E-03 ppm1 8.862 ppm2 1.963 CV 1 ASSI { 419} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 35 and name HA )) 6.000 5.300 0.000 peak 419 spectrum 1 weight 0.11000E+01 volume 0.29114E-04 ppm1 8.617 ppm2 4.772 CV 1 ASSI { 421} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 421 spectrum 1 weight 0.11000E+01 volume 0.28875E-02 ppm1 8.612 ppm2 3.944 CV 1 ASSI { 422} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HA1 )) 6.000 5.100 0.000 peak 422 spectrum 1 weight 0.11000E+01 volume 0.16790E-03 ppm1 8.610 ppm2 3.704 CV 1 ASSI { 433} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HA )) 2.500 0.800 0.800 peak 433 spectrum 1 weight 0.11000E+01 volume 0.44790E-02 ppm1 7.975 ppm2 4.171 CV 1 ASSI { 435} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HB2 )) 2.900 1.000 1.000 peak 435 spectrum 1 weight 0.11000E+01 volume 0.22191E-02 ppm1 7.975 ppm2 3.536 CV 1 ASSI { 436} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 52 and name HG2%) 3.400 1.400 1.400 peak 436 spectrum 1 weight 0.11000E+01 volume 0.88899E-03 ppm1 7.976 ppm2 0.970 CV 1 ASSI { 438} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 55 and name HB1 )) 4.800 2.900 1.200 peak 438 spectrum 1 weight 0.11000E+01 volume 0.33665E-03 ppm1 7.968 ppm2 1.861 CV 1 ASSI { 439} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HA )) 4.300 2.300 1.700 peak 439 spectrum 1 weight 0.11000E+01 volume 0.30319E-03 ppm1 8.770 ppm2 4.585 CV 1 ASSI { 440} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HA )) 2.600 0.800 0.800 peak 440 spectrum 1 weight 0.11000E+01 volume 0.30356E-02 ppm1 8.771 ppm2 4.144 CV 1 ASSI { 442} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HG2 )) 4.700 2.800 1.300 peak 442 spectrum 1 weight 0.11000E+01 volume 0.16146E-03 ppm1 8.773 ppm2 2.837 CV 1 ASSI { 444} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HB2 )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.11000E+01 volume 0.38558E-02 ppm1 8.767 ppm2 2.187 CV 1 OR { 444} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HB1 )) ASSI { 446} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 61 and name HG11)) 5.900 4.300 0.100 peak 446 spectrum 1 weight 0.11000E+01 volume 0.58506E-04 ppm1 8.768 ppm2 0.771 CV 1 ASSI { 465} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 5 and name HA )) 2.900 2.900 3.100 peak 465 spectrum 1 weight 0.11000E+01 volume 0.68711E-02 ppm1 8.456 ppm2 4.774 CV 1 ASSI { 466} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HA )) 2.600 0.900 0.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.34495E-02 ppm1 8.457 ppm2 4.455 CV 1 ASSI { 467} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 2 and name HB2 )) 2.500 2.500 3.500 peak 467 spectrum 1 weight 0.11000E+01 volume 0.86959E-02 ppm1 8.455 ppm2 3.910 CV 1 ASSI { 473} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 49 and name HD2%) 4.300 2.300 1.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.35236E-03 ppm1 8.793 ppm2 0.770 CV 1 ASSI { 474} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 48 and name HA2 )) 3.100 1.200 1.200 peak 474 spectrum 1 weight 0.11000E+01 volume 0.19174E-02 ppm1 8.788 ppm2 3.862 CV 1 ASSI { 475} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 48 and name HA1 )) 2.600 0.800 0.800 peak 475 spectrum 1 weight 0.11000E+01 volume 0.18975E-02 ppm1 8.791 ppm2 3.577 CV 1 ASSI { 476} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 476 spectrum 1 weight 0.11000E+01 volume 0.32220E-03 ppm1 8.785 ppm2 2.552 CV 1 ASSI { 477} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HB1 )) 4.100 2.100 1.900 peak 477 spectrum 1 weight 0.11000E+01 volume 0.37079E-03 ppm1 8.783 ppm2 2.679 CV 1 ASSI { 478} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 52 and name HG2%) 3.800 1.800 1.800 peak 478 spectrum 1 weight 0.11000E+01 volume 0.38296E-03 ppm1 7.354 ppm2 0.966 CV 1 ASSI { 479} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 53 and name HA2 )) 2.400 0.700 0.700 peak 479 spectrum 1 weight 0.11000E+01 volume 0.28548E-02 ppm1 7.702 ppm2 4.089 CV 1 ASSI { 480} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HA )) 4.600 2.700 1.400 peak 480 spectrum 1 weight 0.11000E+01 volume 0.14009E-03 ppm1 7.698 ppm2 4.315 CV 1 ASSI { 481} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 53 and name HA1 )) 2.900 1.100 1.100 peak 481 spectrum 1 weight 0.11000E+01 volume 0.29412E-02 ppm1 7.699 ppm2 3.813 CV 1 ASSI { 482} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 52 and name HG2%) 4.400 2.400 1.600 peak 482 spectrum 1 weight 0.11000E+01 volume 0.23784E-03 ppm1 7.694 ppm2 0.964 CV 1 ASSI { 483} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HA )) 3.300 1.300 1.300 peak 483 spectrum 1 weight 0.11000E+01 volume 0.81817E-03 ppm1 7.739 ppm2 4.981 CV 1 ASSI { 484} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HA2 )) 3.400 1.500 1.500 peak 484 spectrum 1 weight 0.11000E+01 volume 0.10994E-02 ppm1 7.740 ppm2 4.412 CV 1 ASSI { 485} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 37 and name HA )) 3.900 1.900 1.900 peak 485 spectrum 1 weight 0.11000E+01 volume 0.15513E-02 ppm1 7.739 ppm2 4.262 CV 1 ASSI { 486} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 486 spectrum 1 weight 0.11000E+01 volume 0.61232E-03 ppm1 7.742 ppm2 3.939 CV 1 ASSI { 487} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB )) 4.300 2.300 1.700 peak 487 spectrum 1 weight 0.11000E+01 volume 0.23095E-03 ppm1 7.739 ppm2 3.844 CV 1 ASSI { 488} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HA1 )) 3.400 1.500 1.500 peak 488 spectrum 1 weight 0.11000E+01 volume 0.13976E-02 ppm1 7.739 ppm2 3.699 CV 1 ASSI { 489} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 39 and name HG2%) 3.300 1.300 1.300 peak 489 spectrum 1 weight 0.11000E+01 volume 0.12635E-02 ppm1 7.741 ppm2 1.172 CV 1 ASSI { 502} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HA )) 2.300 0.700 0.700 peak 502 spectrum 1 weight 0.11000E+01 volume 0.25000E-02 ppm1 9.156 ppm2 5.153 CV 1 ASSI { 503} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 71 and name HB1 )) 3.600 3.600 2.400 peak 503 spectrum 1 weight 0.11000E+01 volume 0.11165E-03 ppm1 9.162 ppm2 2.659 CV 1 ASSI { 505} (( segid "A " and resid 77 and name HN )) ( segid "A " and resid 76 and name HG2%) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.11000E+01 volume 0.10979E-02 ppm1 9.164 ppm2 1.295 CV 1 ASSI { 508} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HA )) 3.100 1.200 1.200 peak 508 spectrum 1 weight 0.11000E+01 volume 0.88625E-03 ppm1 7.585 ppm2 4.870 CV 1 ASSI { 509} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 73 and name HB2 )) 4.400 2.500 1.600 peak 509 spectrum 1 weight 0.11000E+01 volume 0.39875E-03 ppm1 7.585 ppm2 3.994 CV 1 ASSI { 510} (( segid "A " and resid 75 and name HN )) ( segid "A " and resid 75 and name HG2%) 3.600 1.600 1.600 peak 510 spectrum 1 weight 0.11000E+01 volume 0.97308E-03 ppm1 7.589 ppm2 1.085 CV 1 ASSI { 511} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HB )) 4.300 2.300 1.700 peak 511 spectrum 1 weight 0.11000E+01 volume 0.20380E-03 ppm1 7.578 ppm2 3.767 CV 1 ASSI { 512} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HA1 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.11000E+01 volume 0.11077E-02 ppm1 7.582 ppm2 3.533 CV 1 ASSI { 514} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HA )) 2.600 0.800 0.800 peak 514 spectrum 1 weight 0.11000E+01 volume 0.21702E-02 ppm1 9.717 ppm2 4.988 CV 1 ASSI { 515} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 76 and name HB )) 4.500 2.600 1.500 peak 515 spectrum 1 weight 0.11000E+01 volume 0.56674E-03 ppm1 9.718 ppm2 2.018 CV 1 ASSI { 516} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HB )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.11000E+01 volume 0.91790E-03 ppm1 9.716 ppm2 1.722 CV 1 ASSI { 517} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 39 and name HG2%) 4.500 2.500 1.500 peak 517 spectrum 1 weight 0.11000E+01 volume 0.60866E-03 ppm1 9.715 ppm2 1.165 CV 1 ASSI { 518} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HG11)) 3.200 1.300 1.300 peak 518 spectrum 1 weight 0.11000E+01 volume 0.58506E-03 ppm1 9.719 ppm2 0.951 CV 1 ASSI { 519} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 40 and name HG2%) 4.900 3.000 1.100 peak 519 spectrum 1 weight 0.11000E+01 volume 0.31976E-03 ppm1 9.713 ppm2 0.838 CV 1 ASSI { 520} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HB )) 3.600 1.700 1.700 peak 520 spectrum 1 weight 0.11000E+01 volume 0.77618E-03 ppm1 9.717 ppm2 3.828 CV 1 ASSI { 521} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HA1 )) 2.400 0.700 0.700 peak 521 spectrum 1 weight 0.11000E+01 volume 0.33079E-02 ppm1 8.380 ppm2 3.904 CV 1 ASSI { 522} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HA2 )) 3.000 1.100 1.100 peak 522 spectrum 1 weight 0.11000E+01 volume 0.25288E-02 ppm1 8.378 ppm2 3.537 CV 1 ASSI { 530} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 13 and name HN )) 2.500 0.800 0.800 peak 530 spectrum 1 weight 0.11000E+01 volume 0.19503E-02 ppm1 8.377 ppm2 8.214 CV 1 ASSI { 531} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 15 and name HN )) 2.400 0.700 0.700 peak 531 spectrum 1 weight 0.11000E+01 volume 0.26176E-02 ppm1 8.377 ppm2 8.143 CV 1 ASSI { 532} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 16 and name HN )) 6.000 6.000 0.000 peak 532 spectrum 1 weight 0.11000E+01 volume 0.31356E-04 ppm1 8.377 ppm2 8.002 CV 1 ASSI { 540} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 7 and name HN )) 3.400 1.500 1.500 peak 540 spectrum 1 weight 0.11000E+01 volume 0.11409E-02 ppm1 8.214 ppm2 8.511 CV 1 ASSI { 542} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 65 and name HN )) 2.900 1.100 1.100 peak 542 spectrum 1 weight 0.11000E+01 volume 0.94619E-03 ppm1 7.810 ppm2 8.358 CV 1 ASSI { 546} (( segid "A " and resid 81 and name HN )) ( segid "A " and resid 81 and name HD% ) 5.100 3.300 0.900 peak 546 spectrum 1 weight 0.11000E+01 volume 0.48826E-03 ppm1 8.921 ppm2 7.026 CV 1 ASSI { 548} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 42 and name HD% ) 4.600 2.600 1.400 peak 548 spectrum 1 weight 0.11000E+01 volume 0.36905E-03 ppm1 9.471 ppm2 7.301 CV 1 ASSI { 550} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HN )) 3.100 1.200 1.200 peak 550 spectrum 1 weight 0.11000E+01 volume 0.73157E-03 ppm1 7.941 ppm2 9.084 CV 1 ASSI { 552} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HN )) 3.600 1.600 1.600 peak 552 spectrum 1 weight 0.11000E+01 volume 0.66522E-03 ppm1 7.056 ppm2 9.298 CV 1 ASSI { 554} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HN )) 2.400 0.700 0.700 peak 554 spectrum 1 weight 0.11000E+01 volume 0.19744E-02 ppm1 7.056 ppm2 8.199 CV 1 ASSI { 555} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HN )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.11000E+01 volume 0.13807E-02 ppm1 7.053 ppm2 8.770 CV 1 ASSI { 556} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HN )) 2.600 0.900 0.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.12995E-02 ppm1 8.438 ppm2 8.199 CV 1 ASSI { 558} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 42 and name HE% ) 3.700 1.700 1.700 peak 558 spectrum 1 weight 0.11000E+01 volume 0.58435E-03 ppm1 8.438 ppm2 7.274 CV 1 OR { 558} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 42 and name HD% ) ASSI { 559} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 60 and name HN )) 4.300 2.300 1.700 peak 559 spectrum 1 weight 0.11000E+01 volume 0.27511E-03 ppm1 8.435 ppm2 7.058 CV 1 ASSI { 561} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HN )) 3.100 1.200 1.200 peak 561 spectrum 1 weight 0.11000E+01 volume 0.14135E-02 ppm1 8.267 ppm2 8.519 CV 1 ASSI { 562} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 15 and name HN )) 2.700 2.700 3.300 peak 562 spectrum 1 weight 0.11000E+01 volume 0.55407E-02 ppm1 8.261 ppm2 8.136 CV 1 ASSI { 563} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HN )) 1.900 0.500 0.500 peak 563 spectrum 1 weight 0.11000E+01 volume 0.88906E-02 ppm1 8.225 ppm2 8.341 CV 1 ASSI { 567} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 12 and name HN )) 1.900 0.400 0.400 peak 567 spectrum 1 weight 0.11000E+01 volume 0.86581E-02 ppm1 8.134 ppm2 8.312 CV 1 ASSI { 568} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HN )) 2.600 0.800 0.800 peak 568 spectrum 1 weight 0.11000E+01 volume 0.16220E-02 ppm1 7.922 ppm2 7.578 CV 1 ASSI { 569} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HN )) 2.900 1.100 1.100 peak 569 spectrum 1 weight 0.11000E+01 volume 0.10097E-02 ppm1 7.920 ppm2 7.351 CV 1 ASSI { 570} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HN )) 2.300 0.700 0.700 peak 570 spectrum 1 weight 0.11000E+01 volume 0.39875E-02 ppm1 8.017 ppm2 8.140 CV 1 ASSI { 571} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 68 and name HN )) 3.100 1.200 1.200 peak 571 spectrum 1 weight 0.11000E+01 volume 0.82971E-03 ppm1 7.894 ppm2 8.266 CV 1 ASSI { 572} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HN )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.11000E+01 volume 0.18214E-02 ppm1 7.889 ppm2 8.362 CV 1 ASSI { 576} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 79 and name HN )) 3.400 1.500 1.500 peak 576 spectrum 1 weight 0.11000E+01 volume 0.40085E-03 ppm1 8.770 ppm2 8.360 CV 1 ASSI { 578} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 21 and name HN )) 3.400 1.400 1.400 peak 578 spectrum 1 weight 0.11000E+01 volume 0.56578E-03 ppm1 8.529 ppm2 8.004 CV 1 ASSI { 579} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HN )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.11000E+01 volume 0.59724E-03 ppm1 8.518 ppm2 8.732 CV 1 ASSI { 581} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HN )) 2.800 0.900 0.900 peak 581 spectrum 1 weight 0.11000E+01 volume 0.80404E-03 ppm1 7.581 ppm2 8.216 CV 1 ASSI { 583} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 78 and name HD% ) 4.300 2.300 1.700 peak 583 spectrum 1 weight 0.11000E+01 volume 0.28828E-03 ppm1 8.769 ppm2 6.266 CV 1 ASSI { 584} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HN )) 3.100 1.200 1.200 peak 584 spectrum 1 weight 0.11000E+01 volume 0.66217E-03 ppm1 8.438 ppm2 8.207 CV 1 ASSI { 585} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 30 and name HN )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.11000E+01 volume 0.95807E-03 ppm1 8.439 ppm2 7.946 CV 1 ASSI { 586} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 78 and name HE% ) 4.200 4.200 1.800 peak 586 spectrum 1 weight 0.11000E+01 volume 0.44446E-03 ppm1 8.440 ppm2 7.254 CV 1 ASSI { 592} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HN )) 2.800 1.000 1.000 peak 592 spectrum 1 weight 0.11000E+01 volume 0.89450E-03 ppm1 7.835 ppm2 8.443 CV 1 ASSI { 595} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 28 and name HN )) 3.200 1.300 1.300 peak 595 spectrum 1 weight 0.11000E+01 volume 0.69365E-03 ppm1 7.968 ppm2 8.166 CV 1 ASSI { 596} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HN )) 3.600 1.700 1.700 peak 596 spectrum 1 weight 0.11000E+01 volume 0.32389E-03 ppm1 7.959 ppm2 8.437 CV 1 ASSI { 597} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 45 and name HN )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.11000E+01 volume 0.89479E-03 ppm1 7.631 ppm2 8.614 CV 1 ASSI { 599} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 41 and name HN )) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.11000E+01 volume 0.20531E-03 ppm1 7.622 ppm2 8.724 CV 1 ASSI { 602} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HN )) 2.900 1.100 1.100 peak 602 spectrum 1 weight 0.11000E+01 volume 0.10350E-02 ppm1 8.393 ppm2 8.611 CV 1 ASSI { 603} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 47 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.11000E+01 volume 0.72005E-03 ppm1 8.394 ppm2 8.119 CV 1 ASSI { 604} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 33 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.11000E+01 volume 0.15947E-02 ppm1 7.475 ppm2 7.828 CV 1 ASSI { 609} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 35 and name HN )) 2.300 0.700 0.700 peak 609 spectrum 1 weight 0.11000E+01 volume 0.28821E-02 ppm1 8.096 ppm2 7.730 CV 1 ASSI { 613} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HN )) 2.600 0.900 0.900 peak 613 spectrum 1 weight 0.11000E+01 volume 0.16795E-02 ppm1 7.760 ppm2 7.939 CV 1 ASSI { 614} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HN )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.11000E+01 volume 0.17750E-02 ppm1 7.762 ppm2 7.477 CV 1 ASSI { 615} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 37 and name HN )) 3.800 1.800 1.800 peak 615 spectrum 1 weight 0.11000E+01 volume 0.79199E-03 ppm1 7.732 ppm2 8.612 CV 1 ASSI { 616} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HN )) 1.900 0.400 0.400 peak 616 spectrum 1 weight 0.11000E+01 volume 0.77886E-02 ppm1 7.733 ppm2 8.154 CV 1 ASSI { 619} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 29 and name HE% ) 5.300 5.300 0.700 peak 619 spectrum 1 weight 0.11000E+01 volume 0.16328E-03 ppm1 11.081 ppm2 6.964 CV 1 ASSI { 621} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HN )) 3.300 1.400 1.400 peak 621 spectrum 1 weight 0.11000E+01 volume 0.58096E-03 ppm1 8.073 ppm2 8.254 CV 1 ASSI { 628} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HN )) 2.800 1.000 1.000 peak 628 spectrum 1 weight 0.11000E+01 volume 0.14201E-02 ppm1 8.404 ppm2 9.471 CV 1 ASSI { 629} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 44 and name HN )) 2.800 1.000 1.000 peak 629 spectrum 1 weight 0.11000E+01 volume 0.12462E-02 ppm1 8.405 ppm2 7.625 CV 1 ASSI { 630} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 42 and name HD% ) 3.700 1.700 1.700 peak 630 spectrum 1 weight 0.11000E+01 volume 0.74287E-03 ppm1 8.403 ppm2 7.298 CV 1 ASSI { 631} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 73 and name HN )) 4.300 2.300 1.700 peak 631 spectrum 1 weight 0.11000E+01 volume 0.39587E-03 ppm1 7.943 ppm2 8.871 CV 1 ASSI { 633} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HN )) 2.400 0.700 0.700 peak 633 spectrum 1 weight 0.11000E+01 volume 0.31210E-02 ppm1 7.941 ppm2 8.067 CV 1 ASSI { 638} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 37 and name HN )) 2.400 0.700 0.700 peak 638 spectrum 1 weight 0.11000E+01 volume 0.26666E-02 ppm1 8.158 ppm2 8.610 CV 1 ASSI { 642} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 70 and name HN )) 6.000 4.600 0.000 peak 642 spectrum 1 weight 0.11000E+01 volume 0.60290E-04 ppm1 7.866 ppm2 8.041 CV 1 ASSI { 643} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HN )) 2.500 0.800 0.800 peak 643 spectrum 1 weight 0.11000E+01 volume 0.26047E-02 ppm1 8.867 ppm2 10.747 CV 1 ASSI { 646} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HN )) 2.500 0.800 0.800 peak 646 spectrum 1 weight 0.11000E+01 volume 0.25610E-02 ppm1 8.867 ppm2 7.869 CV 1 ASSI { 647} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 75 and name HN )) 3.600 1.700 1.700 peak 647 spectrum 1 weight 0.11000E+01 volume 0.91844E-03 ppm1 8.867 ppm2 7.582 CV 1 ASSI { 652} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 52 and name HN )) 5.600 3.900 0.400 peak 652 spectrum 1 weight 0.11000E+01 volume 0.13030E-03 ppm1 7.979 ppm2 7.357 CV 1 ASSI { 653} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HN )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.11000E+01 volume 0.22399E-02 ppm1 7.976 ppm2 7.699 CV 1 ASSI { 662} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HN )) 2.800 1.000 1.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.11408E-02 ppm1 8.771 ppm2 9.093 CV 1 ASSI { 663} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 61 and name HN )) 4.600 2.700 1.400 peak 663 spectrum 1 weight 0.11000E+01 volume 0.18455E-03 ppm1 8.771 ppm2 8.197 CV 1 ASSI { 720} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 5 and name HN )) 3.400 1.500 1.500 peak 720 spectrum 1 weight 0.11000E+01 volume 0.69328E-03 ppm1 8.458 ppm2 8.272 CV 1 ASSI { 724} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 49 and name HN )) 3.200 1.300 1.300 peak 724 spectrum 1 weight 0.11000E+01 volume 0.54343E-03 ppm1 8.786 ppm2 8.206 CV 1 ASSI { 726} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HN )) 2.900 1.100 1.100 peak 726 spectrum 1 weight 0.11000E+01 volume 0.82505E-03 ppm1 7.698 ppm2 7.353 CV 1 ASSI { 727} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 37 and name HN )) 4.100 2.100 1.900 peak 727 spectrum 1 weight 0.11000E+01 volume 0.59917E-03 ppm1 7.738 ppm2 8.609 CV 1 ASSI { 736} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HN )) 2.400 0.700 0.700 peak 736 spectrum 1 weight 0.11000E+01 volume 0.28738E-02 ppm1 7.582 ppm2 10.748 CV 1 ASSI { 739} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HN )) 3.200 1.300 1.300 peak 739 spectrum 1 weight 0.11000E+01 volume 0.65997E-03 ppm1 8.374 ppm2 8.606 CV 1 ASSI { 740} (( segid "A " and resid 55 and name HN )) ( segid "A " and resid 56 and name HD1%) 5.700 4.100 0.300 peak 740 spectrum 1 weight 0.11000E+01 volume 0.10674E-03 ppm1 9.076 ppm2 0.770 CV 1 ASSI { 741} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HA )) 3.300 1.400 1.400 peak 741 spectrum 1 weight 0.11000E+01 volume 0.47720E-03 ppm1 9.703 ppm2 5.160 CV 1 ASSI { 744} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 78 and name HB1 )) 3.600 3.600 2.400 peak 744 spectrum 1 weight 0.11000E+01 volume 0.11773E-03 ppm1 8.916 ppm2 2.275 CV 1 ASSI { 745} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 44 and name HN )) 5.500 3.800 0.500 peak 745 spectrum 1 weight 0.11000E+01 volume 0.68457E-04 ppm1 9.470 ppm2 7.611 CV 1 ASSI { 746} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HN )) 5.900 4.300 0.100 peak 746 spectrum 1 weight 0.11000E+01 volume 0.57720E-04 ppm1 9.475 ppm2 8.734 CV 1 ASSI { 747} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HG2 )) 4.300 2.300 1.700 peak 747 spectrum 1 weight 0.11000E+01 volume 0.20066E-03 ppm1 8.753 ppm2 2.374 CV 1 ASSI { 748} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 75 and name HG2%) 4.600 2.600 1.400 peak 748 spectrum 1 weight 0.11000E+01 volume 0.28223E-03 ppm1 9.466 ppm2 1.082 CV 1 ASSI { 749} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 45 and name HD1%) 6.000 6.000 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.27643E-04 ppm1 9.475 ppm2 0.921 CV 1 ASSI { 750} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 65 and name HG1 )) 4.000 2.000 2.000 peak 750 spectrum 1 weight 0.11000E+01 volume 0.30044E-03 ppm1 9.468 ppm2 2.502 CV 1 ASSI { 761} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HA )) 4.200 2.200 1.800 peak 761 spectrum 1 weight 0.11000E+01 volume 0.20526E-03 ppm1 7.727 ppm2 3.986 CV 1 ASSI { 762} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 12 and name HB2 )) 5.500 3.700 0.500 peak 762 spectrum 1 weight 0.11000E+01 volume 0.21825E-03 ppm1 8.143 ppm2 3.183 CV 1 ASSI { 764} (( segid "A " and resid 51 and name HN )) ( segid "A " and resid 52 and name HG2%) 4.800 2.900 1.200 peak 764 spectrum 1 weight 0.11000E+01 volume 0.39802E-03 ppm1 7.916 ppm2 0.962 CV 1 ASSI { 768} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 48 and name HA1 )) 3.700 1.700 1.700 peak 768 spectrum 1 weight 0.11000E+01 volume 0.10045E-03 ppm1 7.924 ppm2 3.574 CV 1 ASSI { 769} (( segid "A " and resid 16 and name HN )) ( segid "A " and resid 17 and name HD1%) 5.500 5.500 0.500 peak 769 spectrum 1 weight 0.11000E+01 volume 0.14654E-03 ppm1 8.018 ppm2 0.796 CV 1 ASSI { 770} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HA )) 5.200 3.400 0.800 peak 770 spectrum 1 weight 0.11000E+01 volume 0.74709E-04 ppm1 7.831 ppm2 3.612 CV 1 ASSI { 773} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 29 and name HE% ) 4.000 2.000 2.000 peak 773 spectrum 1 weight 0.11000E+01 volume 0.28526E-03 ppm1 8.769 ppm2 6.960 CV 1 ASSI { 774} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 18 and name HA )) 4.800 2.900 1.200 peak 774 spectrum 1 weight 0.11000E+01 volume 0.14973E-03 ppm1 8.518 ppm2 4.472 CV 1 ASSI { 775} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 48 and name HA1 )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.11000E+01 volume 0.82825E-04 ppm1 7.591 ppm2 3.565 CV 1 ASSI { 776} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 5.600 0.000 peak 776 spectrum 1 weight 0.11000E+01 volume 0.19262E-04 ppm1 8.774 ppm2 7.091 CV 1 ASSI { 777} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 39 and name HG2%) 3.300 3.300 2.700 peak 777 spectrum 1 weight 0.11000E+01 volume 0.17812E-03 ppm1 8.770 ppm2 1.164 CV 1 ASSI { 778} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 29 and name HE% ) 4.900 4.900 1.100 peak 778 spectrum 1 weight 0.11000E+01 volume 0.72193E-03 ppm1 8.438 ppm2 7.014 CV 1 ASSI { 779} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HA )) 3.900 1.900 1.900 peak 779 spectrum 1 weight 0.11000E+01 volume 0.26325E-03 ppm1 8.375 ppm2 3.538 CV 1 ASSI { 781} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 82 and name HD1%) 5.300 3.500 0.700 peak 781 spectrum 1 weight 0.11000E+01 volume 0.21103E-03 ppm1 8.375 ppm2 0.570 CV 1 ASSI { 785} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HN )) 4.500 2.500 1.500 peak 785 spectrum 1 weight 0.11000E+01 volume 0.85902E-04 ppm1 8.372 ppm2 8.926 CV 1 ASSI { 786} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 48 and name HN )) 4.700 2.700 1.300 peak 786 spectrum 1 weight 0.11000E+01 volume 0.63794E-04 ppm1 8.098 ppm2 8.785 CV 1 ASSI { 789} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 64 and name HD2%) 5.600 3.900 0.400 peak 789 spectrum 1 weight 0.11000E+01 volume 0.11350E-03 ppm1 7.834 ppm2 0.794 CV 1 ASSI { 790} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 16 and name HG2 )) 5.400 3.600 0.600 peak 790 spectrum 1 weight 0.11000E+01 volume 0.12107E-03 ppm1 8.148 ppm2 1.671 CV 1 ASSI { 792} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 13 and name HB2 )) 5.900 4.300 0.100 peak 792 spectrum 1 weight 0.11000E+01 volume 0.12119E-03 ppm1 8.322 ppm2 2.070 CV 1 ASSI { 793} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 29 and name HA )) 4.100 2.100 1.900 peak 793 spectrum 1 weight 0.11000E+01 volume 0.17400E-03 ppm1 7.473 ppm2 3.081 CV 1 ASSI { 794} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 33 and name HB2 )) 6.000 5.200 0.000 peak 794 spectrum 1 weight 0.11000E+01 volume 0.85199E-04 ppm1 7.476 ppm2 2.543 CV 1 ASSI { 796} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 32 and name HG2%) 6.000 6.000 0.000 peak 796 spectrum 1 weight 0.11000E+01 volume 0.67247E-04 ppm1 7.763 ppm2 0.780 CV 1 ASSI { 797} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 32 and name HD1%) 6.000 4.600 0.000 peak 797 spectrum 1 weight 0.11000E+01 volume 0.90631E-04 ppm1 7.762 ppm2 0.651 CV 1 ASSI { 800} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 29 and name HD% ) 5.400 3.600 0.600 peak 800 spectrum 1 weight 0.11000E+01 volume 0.10034E-03 ppm1 11.077 ppm2 7.097 CV 1 ASSI { 801} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 35 and name HA )) 3.400 3.400 2.600 peak 801 spectrum 1 weight 0.11000E+01 volume 0.16858E-03 ppm1 11.082 ppm2 4.779 CV 1 ASSI { 808} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 33 and name HB1 )) 4.200 2.200 1.800 peak 808 spectrum 1 weight 0.11000E+01 volume 0.74284E-04 ppm1 8.160 ppm2 1.481 CV 1 ASSI { 810} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 73 and name HB1 )) 5.600 3.900 0.400 peak 810 spectrum 1 weight 0.11000E+01 volume 0.15190E-03 ppm1 7.863 ppm2 4.309 CV 1 OR { 810} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 73 and name HA )) ASSI { 811} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 69 and name HB2 )) 4.700 2.800 1.300 peak 811 spectrum 1 weight 0.11000E+01 volume 0.25236E-03 ppm1 7.863 ppm2 3.024 CV 1 ASSI { 812} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 71 and name HB1 )) 5.400 3.700 0.600 peak 812 spectrum 1 weight 0.11000E+01 volume 0.62271E-04 ppm1 7.859 ppm2 2.679 CV 1 ASSI { 814} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 71 and name HA )) 6.000 4.900 0.000 peak 814 spectrum 1 weight 0.11000E+01 volume 0.38475E-04 ppm1 8.864 ppm2 4.653 CV 1 ASSI { 815} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HA1 )) 5.700 4.100 0.300 peak 815 spectrum 1 weight 0.11000E+01 volume 0.30285E-03 ppm1 8.865 ppm2 3.525 CV 1 ASSI { 816} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB1 )) 4.900 3.000 1.100 peak 816 spectrum 1 weight 0.11000E+01 volume 0.15254E-03 ppm1 8.605 ppm2 2.737 CV 1 ASSI { 817} (( segid "A " and resid 37 and name HN )) ( segid "A " and resid 39 and name HG2%) 6.000 6.000 0.000 peak 817 spectrum 1 weight 0.11000E+01 volume 0.74987E-04 ppm1 8.607 ppm2 1.175 CV 1 ASSI { 828} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HN )) 6.000 4.500 0.000 peak 828 spectrum 1 weight 0.11000E+01 volume 0.64038E-04 ppm1 8.774 ppm2 9.320 CV 1 ASSI { 829} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HA )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.11000E+01 volume 0.13896E-03 ppm1 8.775 ppm2 4.283 CV 1 ASSI { 840} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HA )) 4.400 2.400 1.600 peak 840 spectrum 1 weight 0.11000E+01 volume 0.16341E-03 ppm1 8.793 ppm2 4.374 CV 1 ASSI { 841} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 49 and name HB2 )) 6.000 5.200 0.000 peak 841 spectrum 1 weight 0.11000E+01 volume 0.74841E-04 ppm1 8.783 ppm2 1.898 CV 1 ASSI { 845} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 29 and name HD% ) 4.900 4.900 1.100 peak 845 spectrum 1 weight 0.11000E+01 volume 0.15825E-03 ppm1 7.739 ppm2 7.090 CV 1 ASSI { 846} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 29 and name HE% ) 5.300 3.600 0.700 peak 846 spectrum 1 weight 0.11000E+01 volume 0.95099E-04 ppm1 7.737 ppm2 6.972 CV 1 ASSI { 847} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HN )) 5.400 3.600 0.600 peak 847 spectrum 1 weight 0.11000E+01 volume 0.10075E-03 ppm1 7.736 ppm2 9.725 CV 1 ASSI { 848} (( segid "A " and resid 77 and name HN )) ( segid "A " and resid 76 and name HD1%) 5.100 3.300 0.900 peak 848 spectrum 1 weight 0.11000E+01 volume 0.25566E-03 ppm1 9.156 ppm2 0.967 CV 1 ASSI { 849} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HB2 )) 3.900 1.900 1.900 peak 849 spectrum 1 weight 0.11000E+01 volume 0.17680E-03 ppm1 9.162 ppm2 3.342 CV 1 ASSI { 850} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 80 and name HA )) 6.000 4.600 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.79865E-04 ppm1 9.165 ppm2 4.137 CV 1 ASSI { 851} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 80 and name HN )) 4.400 2.400 1.600 peak 851 spectrum 1 weight 0.11000E+01 volume 0.11847E-03 ppm1 9.153 ppm2 8.607 CV 1 ASSI { 854} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 76 and name HB )) 4.600 2.600 1.400 peak 854 spectrum 1 weight 0.11000E+01 volume 0.20666E-03 ppm1 7.581 ppm2 2.038 CV 1 ASSI { 855} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HA )) 4.200 2.200 1.800 peak 855 spectrum 1 weight 0.11000E+01 volume 0.14094E-03 ppm1 9.164 ppm2 5.349 CV 1 ASSI { 858} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 78 and name HD% ) 4.000 2.000 2.000 peak 858 spectrum 1 weight 0.11000E+01 volume 0.34846E-03 ppm1 8.379 ppm2 6.267 CV 1 ASSI { 859} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 40 and name HD1%) 4.600 2.700 1.400 peak 859 spectrum 1 weight 0.11000E+01 volume 0.33572E-03 ppm1 9.718 ppm2 0.091 CV 1 ASSI { 860} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HG12)) 4.800 2.900 1.200 peak 860 spectrum 1 weight 0.11000E+01 volume 0.24072E-03 ppm1 9.708 ppm2 0.307 CV 1 ASSI { 861} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HA )) 3.400 1.500 1.500 peak 861 spectrum 1 weight 0.11000E+01 volume 0.25302E-03 ppm1 9.716 ppm2 5.340 CV 1 ASSI { 862} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 29 and name HD% ) 5.000 3.100 1.000 peak 862 spectrum 1 weight 0.11000E+01 volume 0.26420E-03 ppm1 9.727 ppm2 7.093 CV 1 ASSI { 864} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 77 and name HB2 )) 4.200 2.200 1.800 peak 864 spectrum 1 weight 0.11000E+01 volume 0.32413E-03 ppm1 8.380 ppm2 3.377 CV 1 ASSI { 865} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HG1 )) 5.100 3.300 0.900 peak 865 spectrum 1 weight 0.11000E+01 volume 0.11174E-03 ppm1 8.777 ppm2 2.699 CV 1 ASSI { 866} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HB1 )) 6.000 5.100 0.000 peak 866 spectrum 1 weight 0.11000E+01 volume 0.13611E-03 ppm1 8.777 ppm2 2.525 CV 1 ASSI { 867} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 62 and name HG2 )) 6.000 6.000 0.000 peak 867 spectrum 1 weight 0.11000E+01 volume 0.20146E-04 ppm1 8.773 ppm2 1.328 CV 1 ASSI { 868} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 62 and name HG1 )) 5.900 4.300 0.100 peak 868 spectrum 1 weight 0.11000E+01 volume 0.70143E-04 ppm1 8.769 ppm2 1.403 CV 1 ASSI { 869} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 56 and name HB2 )) 6.000 6.000 0.000 peak 869 spectrum 1 weight 0.11000E+01 volume 0.44055E-04 ppm1 8.777 ppm2 1.502 CV 1 ASSI { 871} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 69 and name HB2 )) 4.600 2.700 1.400 peak 871 spectrum 1 weight 0.11000E+01 volume 0.17590E-03 ppm1 9.156 ppm2 2.976 CV 1 ASSI { 872} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 82 and name HB )) 6.000 5.700 0.000 peak 872 spectrum 1 weight 0.11000E+01 volume 0.51552E-04 ppm1 8.923 ppm2 1.783 CV 1 ASSI { 873} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 80 and name HG1 )) 5.200 3.400 0.800 peak 873 spectrum 1 weight 0.11000E+01 volume 0.93628E-04 ppm1 8.914 ppm2 2.386 CV 1 ASSI { 875} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 69 and name HB2 )) 3.900 1.900 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.65495E-04 ppm1 8.931 ppm2 2.992 CV 1 ASSI { 879} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 879 spectrum 1 weight 0.11000E+01 volume 0.42547E-02 ppm1 7.617 ppm2 1.938 CV 1 ASSI { 880} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 45 and name HA )) 6.000 5.500 0.000 peak 880 spectrum 1 weight 0.11000E+01 volume 0.70961E-04 ppm1 7.631 ppm2 3.864 CV 1 ASSI { 881} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 42 and name HA )) 5.300 3.600 0.700 peak 881 spectrum 1 weight 0.11000E+01 volume 0.10566E-03 ppm1 7.639 ppm2 4.456 CV 1 ASSI { 882} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 41 and name HB )) 5.200 3.400 0.800 peak 882 spectrum 1 weight 0.11000E+01 volume 0.51322E-04 ppm1 7.626 ppm2 4.663 CV 1 ASSI { 883} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 40 and name HA )) 5.900 4.300 0.100 peak 883 spectrum 1 weight 0.11000E+01 volume 0.11271E-03 ppm1 7.624 ppm2 4.999 CV 1 ASSI { 884} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 47 and name HN )) 5.900 4.300 0.100 peak 884 spectrum 1 weight 0.11000E+01 volume 0.59226E-04 ppm1 7.629 ppm2 8.096 CV 1 ASSI { 885} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 42 and name HE% ) 6.000 4.800 0.000 peak 885 spectrum 1 weight 0.11000E+01 volume 0.79143E-04 ppm1 8.405 ppm2 7.198 CV 1 ASSI { 886} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 45 and name HN )) 5.600 3.900 0.400 peak 886 spectrum 1 weight 0.11000E+01 volume 0.53040E-04 ppm1 8.404 ppm2 8.619 CV 1 ASSI { 887} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 55 and name HN )) 4.400 2.400 1.600 peak 887 spectrum 1 weight 0.11000E+01 volume 0.14213E-03 ppm1 7.980 ppm2 9.074 CV 1 ASSI { 888} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 56 and name HB2 )) 5.800 4.200 0.200 peak 888 spectrum 1 weight 0.11000E+01 volume 0.59080E-04 ppm1 7.978 ppm2 1.555 CV 1 ASSI { 890} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 65 and name HG2 )) 4.800 2.900 1.200 peak 890 spectrum 1 weight 0.11000E+01 volume 0.12973E-03 ppm1 9.473 ppm2 2.830 CV 1 ASSI { 891} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 43 and name HB1 )) 6.000 4.800 0.000 peak 891 spectrum 1 weight 0.11000E+01 volume 0.11579E-03 ppm1 9.474 ppm2 2.616 CV 1 ASSI { 892} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 43 and name HA )) 5.800 4.200 0.200 peak 892 spectrum 1 weight 0.11000E+01 volume 0.15536E-03 ppm1 9.471 ppm2 4.074 CV 1 ASSI { 893} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 40 and name HG2%) 5.300 3.500 0.700 peak 893 spectrum 1 weight 0.11000E+01 volume 0.12521E-03 ppm1 9.477 ppm2 0.814 CV 1 ASSI { 894} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HB )) 4.600 2.600 1.400 peak 894 spectrum 1 weight 0.11000E+01 volume 0.14159E-03 ppm1 7.707 ppm2 1.772 CV 1 ASSI { 895} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HA )) 5.300 3.600 0.700 peak 895 spectrum 1 weight 0.11000E+01 volume 0.56134E-04 ppm1 7.725 ppm2 3.525 CV 1 ASSI { 897} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HN )) 4.100 2.100 1.900 peak 897 spectrum 1 weight 0.11000E+01 volume 0.10641E-03 ppm1 7.727 ppm2 8.377 CV 1 ASSI { 900} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HB1 )) 4.600 2.700 1.400 peak 900 spectrum 1 weight 0.11000E+01 volume 0.84545E-04 ppm1 9.084 ppm2 3.776 CV 1 ASSI { 902} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.11000E+01 volume 0.24695E-04 ppm1 9.093 ppm2 3.529 CV 1 ASSI { 903} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 40 and name HG2%) 3.900 1.900 1.900 peak 903 spectrum 1 weight 0.11000E+01 volume 0.44929E-03 ppm1 9.719 ppm2 0.839 CV 1 ASSI { 904} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 40 and name HA )) 4.600 2.700 1.400 peak 904 spectrum 1 weight 0.11000E+01 volume 0.16565E-03 ppm1 9.708 ppm2 4.989 CV 1 ASSI { 905} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HN )) 4.900 3.100 1.100 peak 905 spectrum 1 weight 0.11000E+01 volume 0.18208E-03 ppm1 9.712 ppm2 7.588 CV 1 ASSI { 906} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HN )) 6.000 4.800 0.000 peak 906 spectrum 1 weight 0.11000E+01 volume 0.68343E-04 ppm1 9.708 ppm2 9.165 CV 1 ASSI { 907} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 80 and name HA )) 6.000 4.600 0.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.53631E-04 ppm1 8.068 ppm2 4.185 CV 1 ASSI { 908} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 68 and name HA )) 5.400 3.700 0.600 peak 908 spectrum 1 weight 0.11000E+01 volume 0.43614E-04 ppm1 8.072 ppm2 4.347 CV 1 ASSI { 909} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 68 and name HB% ) 3.100 3.100 2.900 peak 909 spectrum 1 weight 0.11000E+01 volume 0.27950E-03 ppm1 8.069 ppm2 1.303 CV 1 ASSI { 910} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HN )) 6.000 4.400 0.000 peak 910 spectrum 1 weight 0.11000E+01 volume 0.75380E-04 ppm1 9.102 ppm2 9.331 CV 1 ASSI { 911} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 59 and name HA )) 6.000 5.900 0.000 peak 911 spectrum 1 weight 0.11000E+01 volume 0.46527E-04 ppm1 9.091 ppm2 4.134 CV 1 ASSI { 912} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HG1 )) 5.000 3.100 1.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.25734E-03 ppm1 9.100 ppm2 2.696 CV 1 ASSI { 914} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 42 and name HA )) 5.200 3.400 0.800 peak 914 spectrum 1 weight 0.11000E+01 volume 0.47574E-04 ppm1 8.616 ppm2 4.452 CV 1 ASSI { 915} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 81 and name HN )) 2.900 1.100 1.100 peak 915 spectrum 1 weight 0.11000E+01 volume 0.74951E-03 ppm1 8.601 ppm2 8.915 CV 1 ASSI { 916} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 12 and name HA )) 4.200 2.200 1.800 peak 916 spectrum 1 weight 0.11000E+01 volume 0.31532E-03 ppm1 8.373 ppm2 4.648 CV 1 ASSI { 917} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 13 and name HG2 )) 4.500 2.600 1.500 peak 917 spectrum 1 weight 0.11000E+01 volume 0.22802E-03 ppm1 8.377 ppm2 2.508 CV 1 ASSI { 918} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 57 and name HB2 )) 5.100 3.200 0.900 peak 918 spectrum 1 weight 0.11000E+01 volume 0.17616E-03 ppm1 8.202 ppm2 2.363 CV 1 ASSI { 919} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 56 and name HB2 )) 5.300 3.500 0.700 peak 919 spectrum 1 weight 0.11000E+01 volume 0.81827E-04 ppm1 8.201 ppm2 1.530 CV 1 ASSI { 920} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HA )) 4.100 2.100 1.900 peak 920 spectrum 1 weight 0.11000E+01 volume 0.24953E-03 ppm1 8.203 ppm2 4.273 CV 1 ASSI { 921} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 79 and name HA2 )) 5.300 3.400 0.700 peak 921 spectrum 1 weight 0.11000E+01 volume 0.13130E-03 ppm1 8.601 ppm2 3.548 CV 1 ASSI { 923} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 923 spectrum 1 weight 0.11000E+01 volume 0.60927E-03 ppm1 8.604 ppm2 2.379 CV 1 ASSI { 924} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HB1 )) 3.600 1.600 1.600 peak 924 spectrum 1 weight 0.11000E+01 volume 0.75785E-03 ppm1 8.598 ppm2 2.279 CV 1 ASSI { 926} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 79 and name HA1 )) 3.300 1.400 1.400 peak 926 spectrum 1 weight 0.11000E+01 volume 0.71337E-03 ppm1 8.602 ppm2 3.902 CV 1 ASSI { 927} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 76 and name HA )) 6.000 4.600 0.000 peak 927 spectrum 1 weight 0.11000E+01 volume 0.77915E-04 ppm1 8.618 ppm2 5.139 CV 1 ASSI { 930} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 65 and name HB1 )) 6.000 5.000 0.000 peak 930 spectrum 1 weight 0.11000E+01 volume 0.74153E-04 ppm1 7.806 ppm2 2.492 CV 1 ASSI { 931} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 62 and name HG1 )) 3.300 1.400 1.400 peak 931 spectrum 1 weight 0.11000E+01 volume 0.17798E-03 ppm1 7.812 ppm2 1.413 CV 1 ASSI { 933} (( segid "A " and resid 81 and name HN )) ( segid "A " and resid 76 and name HD1%) 5.300 3.500 0.700 peak 933 spectrum 1 weight 0.11000E+01 volume 0.78047E-04 ppm1 8.932 ppm2 0.958 CV 1 ASSI { 934} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 18 and name HB1 )) 4.500 2.500 1.500 peak 934 spectrum 1 weight 0.11000E+01 volume 0.48262E-03 ppm1 8.737 ppm2 3.984 CV 1 ASSI { 935} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 17 and name HD1%) 4.200 4.200 1.800 peak 935 spectrum 1 weight 0.11000E+01 volume 0.43140E-04 ppm1 8.735 ppm2 0.852 CV 1 ASSI { 936} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HB2 )) 3.700 1.700 1.700 peak 936 spectrum 1 weight 0.11000E+01 volume 0.66107E-03 ppm1 8.001 ppm2 1.885 CV 1 ASSI { 937} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HA )) 5.700 4.000 0.300 peak 937 spectrum 1 weight 0.11000E+01 volume 0.15094E-03 ppm1 7.060 ppm2 3.580 CV 1 ASSI { 938} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HA )) 4.700 2.800 1.300 peak 938 spectrum 1 weight 0.11000E+01 volume 0.27164E-03 ppm1 7.062 ppm2 4.582 CV 1 ASSI { 939} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 56 and name HB2 )) 5.400 3.600 0.600 peak 939 spectrum 1 weight 0.11000E+01 volume 0.12029E-03 ppm1 7.052 ppm2 1.545 CV 1 ASSI { 944} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HD2 )) 5.000 3.100 1.000 peak 944 spectrum 1 weight 0.11000E+01 volume 0.17897E-03 ppm1 8.444 ppm2 1.556 CV 1 ASSI { 945} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 60 and name HA )) 4.400 2.400 1.600 peak 945 spectrum 1 weight 0.11000E+01 volume 0.19108E-03 ppm1 8.441 ppm2 4.280 CV 1 ASSI { 946} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 61 and name HG12)) 5.100 3.200 0.900 peak 946 spectrum 1 weight 0.11000E+01 volume 0.63530E-04 ppm1 9.306 ppm2 1.853 CV 1 ASSI { 947} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HN )) 6.000 5.200 0.000 peak 947 spectrum 1 weight 0.11000E+01 volume 0.67998E-04 ppm1 9.317 ppm2 7.946 CV 1 ASSI { 948} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 61 and name HN )) 5.000 3.100 1.000 peak 948 spectrum 1 weight 0.11000E+01 volume 0.87164E-04 ppm1 9.323 ppm2 8.192 CV 1 ASSI { 949} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 47 and name HB2 )) 3.800 1.800 1.800 peak 949 spectrum 1 weight 0.11000E+01 volume 0.83267E-04 ppm1 7.920 ppm2 2.554 CV 1 ASSI { 950} (( segid "A " and resid 51 and name HN )) ( segid "A " and resid 52 and name HG1%) 3.800 1.800 1.800 peak 950 spectrum 1 weight 0.11000E+01 volume 0.11964E-02 ppm1 7.915 ppm2 0.761 CV 1 ASSI { 951} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 53 and name HN )) 5.200 3.400 0.800 peak 951 spectrum 1 weight 0.11000E+01 volume 0.10752E-03 ppm1 7.928 ppm2 7.704 CV 1 ASSI { 952} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB1 )) 4.400 2.400 1.600 peak 952 spectrum 1 weight 0.11000E+01 volume 0.25495E-03 ppm1 8.208 ppm2 1.438 CV 1 ASSI { 953} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HA2 )) 6.000 5.000 0.000 peak 953 spectrum 1 weight 0.11000E+01 volume 0.46822E-04 ppm1 8.206 ppm2 3.858 CV 1 ASSI { 956} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HG12)) 5.500 3.700 0.500 peak 956 spectrum 1 weight 0.11000E+01 volume 0.17022E-03 ppm1 7.831 ppm2 1.894 CV 1 ASSI { 957} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 32 and name HG2%) 4.100 2.100 1.900 peak 957 spectrum 1 weight 0.11000E+01 volume 0.38675E-03 ppm1 7.828 ppm2 0.764 CV 1 OR { 957} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HG11)) ASSI { 958} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 34 and name HN )) 5.200 3.400 0.800 peak 958 spectrum 1 weight 0.11000E+01 volume 0.16158E-03 ppm1 7.828 ppm2 8.111 CV 1 ASSI { 959} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 79 and name HA1 )) 6.000 5.000 0.000 peak 959 spectrum 1 weight 0.11000E+01 volume 0.12469E-03 ppm1 8.760 ppm2 3.921 CV 1 ASSI { 961} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 44 and name HA )) 5.300 3.500 0.700 peak 961 spectrum 1 weight 0.11000E+01 volume 0.31686E-03 ppm1 8.729 ppm2 4.040 CV 1 ASSI { 962} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 31 and name HN )) 4.600 2.600 1.400 peak 962 spectrum 1 weight 0.11000E+01 volume 0.15886E-03 ppm1 8.430 ppm2 7.756 CV 1 ASSI { 963} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 44 and name HG1 )) 3.300 1.400 1.400 peak 963 spectrum 1 weight 0.11000E+01 volume 0.59426E-03 ppm1 8.724 ppm2 2.482 CV 1 ASSI { 964} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 81 and name HD% ) 5.400 3.600 0.600 peak 964 spectrum 1 weight 0.11000E+01 volume 0.13940E-03 ppm1 8.371 ppm2 7.035 CV 1 ASSI { 965} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HB2 )) 4.100 2.100 1.900 peak 965 spectrum 1 weight 0.11000E+01 volume 0.21378E-03 ppm1 8.128 ppm2 1.404 CV 1 ASSI { 966} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HD2 )) 5.400 3.600 0.600 peak 966 spectrum 1 weight 0.11000E+01 volume 0.14886E-03 ppm1 8.130 ppm2 1.526 CV 1 ASSI { 967} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HA )) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.11000E+01 volume 0.23113E-03 ppm1 8.143 ppm2 4.374 CV 1 ASSI { 968} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 61 and name HA )) 5.500 3.800 0.500 peak 968 spectrum 1 weight 0.11000E+01 volume 0.71207E-04 ppm1 7.839 ppm2 3.580 CV 1 ASSI { 969} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HD2 )) 4.600 2.600 1.400 peak 969 spectrum 1 weight 0.11000E+01 volume 0.82908E-04 ppm1 7.832 ppm2 1.572 CV 1 ASSI { 970} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HG1 )) 3.900 1.900 1.900 peak 970 spectrum 1 weight 0.11000E+01 volume 0.20720E-03 ppm1 7.834 ppm2 1.382 CV 1 OR { 970} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HG2 )) ASSI { 971} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HG2 )) 4.200 2.200 1.800 peak 971 spectrum 1 weight 0.11000E+01 volume 0.42728E-03 ppm1 7.841 ppm2 1.321 CV 1 OR { 971} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HD1 )) ASSI { 972} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 60 and name HN )) 4.000 2.000 2.000 peak 972 spectrum 1 weight 0.11000E+01 volume 0.60880E-04 ppm1 7.831 ppm2 7.064 CV 1 ASSI { 973} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 84 and name HA )) 5.100 3.300 0.900 peak 973 spectrum 1 weight 0.11000E+01 volume 0.77115E-04 ppm1 7.862 ppm2 4.223 CV 1 ASSI { 974} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 83 and name HN )) 3.400 1.500 1.500 peak 974 spectrum 1 weight 0.11000E+01 volume 0.41134E-03 ppm1 7.858 ppm2 7.696 CV 1 ASSI { 975} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 42 and name HA )) 4.200 2.300 1.800 peak 975 spectrum 1 weight 0.11000E+01 volume 0.43628E-03 ppm1 8.391 ppm2 4.450 CV 1 ASSI { 976} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 47 and name HB1 )) 5.700 4.100 0.300 peak 976 spectrum 1 weight 0.11000E+01 volume 0.19773E-03 ppm1 8.384 ppm2 2.672 CV 1 ASSI { 977} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 44 and name HN )) 6.000 4.500 0.000 peak 977 spectrum 1 weight 0.11000E+01 volume 0.63301E-04 ppm1 8.398 ppm2 7.630 CV 1 ASSI { 980} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 31 and name HE% ) 2.700 2.700 3.300 peak 980 spectrum 1 weight 0.11000E+01 volume 0.67357E-03 ppm1 7.477 ppm2 2.023 CV 1 ASSI { 981} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 33 and name HA )) 6.000 5.600 0.000 peak 981 spectrum 1 weight 0.11000E+01 volume 0.58555E-04 ppm1 7.481 ppm2 4.454 CV 1 ASSI { 982} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HB1 )) 4.000 2.000 2.000 peak 982 spectrum 1 weight 0.11000E+01 volume 0.32989E-03 ppm1 8.575 ppm2 3.970 CV 1 ASSI { 983} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HB2 )) 4.100 2.100 1.900 peak 983 spectrum 1 weight 0.11000E+01 volume 0.25224E-03 ppm1 8.584 ppm2 4.189 CV 1 ASSI { 984} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HB2 )) 5.600 4.000 0.400 peak 984 spectrum 1 weight 0.11000E+01 volume 0.16125E-03 ppm1 8.568 ppm2 2.080 CV 1 ASSI { 985} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HB1 )) 4.200 2.200 1.800 peak 985 spectrum 1 weight 0.11000E+01 volume 0.34036E-03 ppm1 8.603 ppm2 1.695 CV 1 ASSI { 986} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HB2 )) 4.500 2.500 1.500 peak 986 spectrum 1 weight 0.11000E+01 volume 0.24619E-03 ppm1 8.591 ppm2 1.501 CV 1 ASSI { 987} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 17 and name HD1%) 4.400 2.400 1.600 peak 987 spectrum 1 weight 0.11000E+01 volume 0.39851E-03 ppm1 8.581 ppm2 0.789 CV 1 ASSI { 988} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 17 and name HN )) 6.000 5.200 0.000 peak 988 spectrum 1 weight 0.11000E+01 volume 0.67540E-04 ppm1 8.582 ppm2 8.013 CV 1 ASSI { 989} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HA )) 3.100 1.200 1.200 peak 989 spectrum 1 weight 0.11000E+01 volume 0.10757E-02 ppm1 8.590 ppm2 4.459 CV 1 ASSI { 990} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HA )) 4.500 2.600 1.500 peak 990 spectrum 1 weight 0.11000E+01 volume 0.15577E-03 ppm1 8.245 ppm2 4.367 CV 1 ASSI { 991} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HA )) 5.000 3.100 1.000 peak 991 spectrum 1 weight 0.11000E+01 volume 0.12215E-03 ppm1 8.242 ppm2 4.090 CV 1 ASSI { 994} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 40 and name HA )) 5.700 4.100 0.300 peak 994 spectrum 1 weight 0.11000E+01 volume 0.87818E-04 ppm1 8.101 ppm2 4.990 CV 1 ASSI { 995} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 32 and name HA )) 3.800 1.900 1.900 peak 995 spectrum 1 weight 0.11000E+01 volume 0.73857E-04 ppm1 8.094 ppm2 3.603 CV 1 ASSI { 996} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 35 and name HB2 )) 6.000 5.100 0.000 peak 996 spectrum 1 weight 0.11000E+01 volume 0.65446E-04 ppm1 8.097 ppm2 3.083 CV 1 ASSI { 997} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 35 and name HB1 )) 6.000 6.000 0.000 peak 997 spectrum 1 weight 0.11000E+01 volume 0.64775E-04 ppm1 8.098 ppm2 2.661 CV 1 ASSI { 998} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 44 and name HB2 )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.11000E+01 volume 0.39473E-03 ppm1 8.100 ppm2 2.093 CV 1 ASSI { 999} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 40 and name HG11)) 6.000 6.000 0.000 peak 999 spectrum 1 weight 0.11000E+01 volume 0.65790E-04 ppm1 8.099 ppm2 0.927 CV 1 ASSI { 1001} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 36 and name HB2 )) 3.700 1.700 1.700 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.96100E-04 ppm1 11.080 ppm2 3.057 CV 1 ASSI { 1002} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 33 and name HB2 )) 5.600 3.900 0.400 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.44104E-04 ppm1 11.086 ppm2 2.547 CV 1 ASSI { 1003} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 39 and name HG2%) 5.300 3.400 0.700 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.28560E-03 ppm1 11.084 ppm2 1.175 CV 1 ASSI { 1004} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 62 and name HD2 )) 3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.96197E-04 ppm1 8.370 ppm2 1.568 CV 1 ASSI { 1005} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 42 and name HD% ) 3.900 3.900 2.100 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.64021E-04 ppm1 8.378 ppm2 7.303 CV 1 ASSI { 1006} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 69 and name HN )) 5.700 4.100 0.300 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.68523E-04 ppm1 8.369 ppm2 8.055 CV 1 ASSI { 1007} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 65 and name HA )) 3.300 1.400 1.400 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.76747E-03 ppm1 8.067 ppm2 3.999 CV 1 ASSI { 1010} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 70 and name HB )) 6.000 5.300 0.000 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.53384E-04 ppm1 8.074 ppm2 2.032 CV 1 ASSI { 1011} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 69 and name HB2 )) 4.900 3.000 1.100 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.12633E-03 ppm1 10.748 ppm2 3.013 CV 1 ASSI { 1013} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 72 and name HB2 )) 4.600 2.600 1.400 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.29187E-03 ppm1 10.744 ppm2 1.946 CV 1 ASSI { 1014} (( segid "A " and resid 74 and name HN )) ( segid "A " and resid 75 and name HG2%) 6.000 6.000 0.000 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.89470E-04 ppm1 10.757 ppm2 1.088 CV 1 ASSI { 1015} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 45 and name HB1 )) 4.900 3.000 1.100 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.20051E-03 ppm1 8.406 ppm2 1.400 CV 1 ASSI { 1017} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 40 and name HG2%) 5.200 5.200 0.800 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.19156E-03 ppm1 8.408 ppm2 0.823 CV 1 ASSI { 1018} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HN )) 5.300 3.500 0.700 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.62925E-04 ppm1 7.940 ppm2 8.206 CV 1 ASSI { 1019} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 29 and name HE% ) 6.000 6.000 0.000 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.87359E-04 ppm1 7.933 ppm2 6.977 CV 1 ASSI { 1020} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 38 and name HN )) 3.800 1.800 1.800 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.69792E-03 ppm1 8.160 ppm2 -1.426 CV 1 ASSI { 1023} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 32 and name HN )) 3.300 3.300 2.700 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.19390E-03 ppm1 8.155 ppm2 7.509 CV 1 ASSI { 1024} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 69 and name HA )) 6.000 4.700 0.000 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.48753E-04 ppm1 7.868 ppm2 4.764 CV 1 ASSI { 1025} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 75 and name HN )) 6.000 6.000 0.000 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.73252E-04 ppm1 7.866 ppm2 7.627 CV 1 ASSI { 1026} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 74 and name HN )) 4.400 2.400 1.600 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.40368E-03 ppm1 7.873 ppm2 10.749 CV 1 ASSI { 1027} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 70 and name HG2%) 3.600 3.600 2.400 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.10500E-03 ppm1 7.864 ppm2 1.017 CV 1 ASSI { 1028} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 69 and name HB2 )) 5.700 4.000 0.300 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.67574E-04 ppm1 8.851 ppm2 3.010 CV 1 ASSI { 1029} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HD2 )) 3.700 1.700 1.700 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.94299E-04 ppm1 8.860 ppm2 1.769 CV 1 ASSI { 1030} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HG1 )) 3.800 1.800 1.800 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.83120E-04 ppm1 8.867 ppm2 1.439 CV 1 ASSI { 1031} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 70 and name HN )) 6.000 5.500 0.000 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.46610E-04 ppm1 8.873 ppm2 8.054 CV 1 ASSI { 1032} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 40 and name HA )) 5.900 4.400 0.100 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.52125E-04 ppm1 8.614 ppm2 5.000 CV 1 ASSI { 1033} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HN )) 2.100 0.600 0.600 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.36762E-02 ppm1 8.612 ppm2 -1.419 CV 1 ASSI { 1034} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 52 and name HB )) 5.300 3.600 0.700 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.86754E-04 ppm1 7.974 ppm2 2.039 CV 1 ASSI { 1035} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 44 and name HA )) 3.800 1.800 1.800 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.74170E-04 ppm1 8.785 ppm2 4.068 CV 1 ASSI { 1036} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 61 and name HD1%) 3.100 3.100 2.900 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.28824E-03 ppm1 8.780 ppm2 0.652 CV 1 ASSI { 1037} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 45 and name HD1%) 3.900 3.900 2.100 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.66952E-04 ppm1 8.787 ppm2 0.911 CV 1 ASSI { 1039} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 46 and name HN )) 4.600 2.700 1.400 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.12147E-03 ppm1 8.785 ppm2 8.417 CV 1 ASSI { 1040} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 52 and name HG1%) 4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.23172E-03 ppm1 7.353 ppm2 0.788 CV 1 ASSI { 1043} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HA )) 4.600 2.600 1.400 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.14046E-03 ppm1 7.351 ppm2 4.092 CV 1 ASSI { 1044} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 54 and name HB2 )) 6.000 5.400 0.000 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.69799E-04 ppm1 7.697 ppm2 3.538 CV 1 ASSI { 1046} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 52 and name HG1%) 5.100 3.300 0.900 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.13860E-03 ppm1 7.701 ppm2 0.767 CV 1 ASSI { 1047} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HA )) 4.500 2.500 1.500 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.67164E-04 ppm1 7.736 ppm2 5.335 CV 1 ASSI { 1048} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 35 and name HB1 )) 6.000 4.600 0.000 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.41454E-04 ppm1 7.739 ppm2 2.640 CV 1 ASSI { 1049} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HB )) 6.000 4.700 0.000 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.81075E-04 ppm1 9.156 ppm2 2.026 CV 1 ASSI { 1050} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 80 and name HB1 )) 4.000 2.000 2.000 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.48916E-03 ppm1 9.159 ppm2 2.272 CV 1 ASSI { 1051} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 80 and name HG1 )) 4.700 2.800 1.300 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.15451E-03 ppm1 9.160 ppm2 2.383 CV 1 ASSI { 1052} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 72 and name HA )) 3.200 3.200 2.800 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.23357E-03 ppm1 7.582 ppm2 3.893 CV 1 ASSI { 1053} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 69 and name HB2 )) 5.900 4.300 0.100 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.39277E-04 ppm1 7.582 ppm2 3.014 CV 1 ASSI { 1054} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 22 and name HB )) 4.800 2.800 1.200 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.11284E-03 ppm1 8.243 ppm2 2.059 CV 1 ASSI { 1057} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 56 and name HG )) 5.900 4.400 0.100 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.76966E-04 ppm1 9.086 ppm2 1.701 CV 1 ASSI { 1058} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 71 and name HB2 )) 6.000 6.000 0.000 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.39194E-04 ppm1 8.075 ppm2 3.110 CV 1 ASSI { 1059} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 56 and name HA )) 4.100 2.100 1.900 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.49702E-04 ppm1 9.097 ppm2 4.237 CV 1 ASSI { 1061} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 58 and name HA )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.40268E-03 ppm1 8.203 ppm2 3.870 CV 1 ASSI { 1062} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 57 and name HG2 )) 4.700 2.700 1.300 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.22846E-04 ppm1 8.200 ppm2 2.816 CV 1 ASSI { 1063} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HB1 )) 3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.30163E-03 ppm1 8.202 ppm2 2.538 CV 1 ASSI { 1064} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HG12)) 2.300 0.700 0.700 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.35768E-02 ppm1 8.198 ppm2 1.844 CV 1 ASSI { 1065} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.73482E-04 ppm1 9.718 ppm2 8.781 CV 1 ASSI { 1066} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 29 and name HE% ) 4.900 3.000 1.100 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.11327E-03 ppm1 9.706 ppm2 6.966 CV 1 ASSI { 1068} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 76 and name HG2%) 4.100 2.100 1.900 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.25161E-03 ppm1 9.726 ppm2 1.272 CV 1 ASSI { 1069} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 56 and name HB1 )) 6.000 6.000 0.000 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.32699E-04 ppm1 9.081 ppm2 1.347 CV 1 ASSI { 1070} (( segid "A " and resid 55 and name HN )) ( segid "A " and resid 52 and name HG2%) 4.600 2.600 1.400 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.25285E-04 ppm1 9.081 ppm2 0.976 CV 1 ASSI { 1073} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 42 and name HD% ) 6.000 6.000 0.000 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.37411E-04 ppm1 8.613 ppm2 7.315 CV 1 ASSI { 1075} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HG1 )) 5.400 3.600 0.600 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.91024E-04 ppm1 8.620 ppm2 2.497 CV 1 ASSI { 1076} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 12 and name HB1 )) 4.000 2.000 2.000 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.55004E-04 ppm1 8.377 ppm2 3.311 CV 1 ASSI { 1077} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 15 and name HG2 )) 6.000 4.700 0.000 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.58833E-04 ppm1 8.378 ppm2 2.357 CV 1 ASSI { 1078} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 11 and name HB2 )) 4.200 2.200 1.800 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.44482E-04 ppm1 8.375 ppm2 1.791 CV 1 ASSI { 1079} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.84577E-04 ppm1 7.951 ppm2 3.769 CV 1 ASSI { 1080} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 54 and name HB2 )) 6.000 5.700 0.000 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.52288E-04 ppm1 7.948 ppm2 3.541 CV 1 ASSI { 1081} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HB2 )) 5.100 3.200 0.900 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.17452E-03 ppm1 7.945 ppm2 2.263 CV 1 ASSI { 1082} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HG2 )) 5.400 3.600 0.600 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.14367E-03 ppm1 7.944 ppm2 2.326 CV 1 ASSI { 1083} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 61 and name HD1%) 6.000 5.400 0.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.68996E-04 ppm1 7.056 ppm2 0.654 CV 1 ASSI { 1084} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 59 and name HN )) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.70651E-04 ppm1 8.439 ppm2 8.776 CV 1 ASSI { 1086} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 61 and name HD1%) 3.200 3.200 2.800 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.23036E-03 ppm1 8.443 ppm2 0.670 CV 1 ASSI { 1089} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HA )) 6.000 6.000 0.000 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.10834E-04 ppm1 8.182 ppm2 4.085 CV 1 ASSI { 1090} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HB2 )) 5.600 3.900 0.400 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.91778E-04 ppm1 8.203 ppm2 2.135 CV 1 ASSI { 1091} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 28 and name HD2%) 5.200 3.400 0.800 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.79013E-04 ppm1 8.187 ppm2 0.939 CV 1 ASSI { 1093} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 58 and name HA )) 6.000 5.700 0.000 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.22290E-04 ppm1 9.310 ppm2 3.868 CV 1 ASSI { 1095} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 76 and name HD1%) 5.400 3.600 0.600 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.11994E-03 ppm1 8.777 ppm2 0.945 CV 1 ASSI { 1096} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 75 and name HA )) 6.000 4.900 0.000 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.69587E-04 ppm1 10.751 ppm2 4.878 CV 1 ASSI { 1097} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HB2 )) 4.300 2.300 1.700 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.67420E-03 ppm1 10.739 ppm2 3.987 CV 1 ASSI { 1104} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 45 and name HN )) 3.500 1.500 1.500 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.57571E-03 ppm1 8.717 ppm2 8.632 CV 1 ASSI { 1108} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 81 and name HN )) 5.800 4.200 0.200 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.66510E-04 ppm1 8.766 ppm2 8.921 CV 1 ASSI { 1109} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 40 and name HD1%) 6.000 5.700 0.000 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.13721E-03 ppm1 8.738 ppm2 0.083 CV 1 ASSI { 1110} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HG12)) 5.100 3.300 0.900 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.19233E-03 ppm1 8.728 ppm2 0.301 CV 1 ASSI { 1111} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HG11)) 4.600 2.700 1.400 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.62728E-03 ppm1 8.737 ppm2 0.930 CV 1 ASSI { 1112} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 75 and name HG2%) 5.100 3.300 0.900 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.11348E-03 ppm1 8.742 ppm2 1.070 CV 1 ASSI { 1114} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 45 and name HD1%) 6.000 4.600 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.97244E-04 ppm1 8.404 ppm2 0.914 CV 1 ASSI { 1116} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 47 and name HN )) 5.800 4.200 0.200 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.39194E-04 ppm1 8.617 ppm2 8.113 CV 1 ASSI { 1119} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 42 and name HB2 )) 6.000 6.000 0.000 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.77491E-04 ppm1 8.626 ppm2 3.116 CV 1 ASSI { 1120} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HG )) 6.000 4.500 0.000 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.92317E-04 ppm1 8.619 ppm2 1.481 CV 1 ASSI { 1121} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 40 and name HG12)) 5.300 3.600 0.700 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.10474E-04 ppm1 8.618 ppm2 0.308 CV 1 ASSI { 1122} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 46 and name HG2 )) 6.000 5.600 0.000 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.26840E-04 ppm1 8.613 ppm2 1.182 CV 1 ASSI { 1123} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 41 and name HG2%) 4.300 4.300 1.700 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.37935E-04 ppm1 8.625 ppm2 1.253 CV 1 ASSI { 1124} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 61 and name HA )) 6.000 5.400 0.000 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.35578E-04 ppm1 8.389 ppm2 3.573 CV 1 ASSI { 1125} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 65 and name HG2 )) 6.000 4.700 0.000 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.10983E-03 ppm1 8.398 ppm2 2.791 CV 1 ASSI { 1128} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 50 and name HB2 )) 5.400 3.600 0.600 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.81107E-04 ppm1 8.121 ppm2 1.990 CV 1 ASSI { 1129} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB1 )) 3.600 1.600 1.600 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.82366E-03 ppm1 8.114 ppm2 2.671 CV 1 ASSI { 1131} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 44 and name HA )) 3.700 1.700 1.700 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.28331E-03 ppm1 8.113 ppm2 4.082 CV 1 ASSI { 1132} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HA )) 5.000 3.100 1.000 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.89977E-04 ppm1 8.136 ppm2 3.788 CV 1 ASSI { 1135} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 51 and name HN )) 5.900 4.300 0.100 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.55414E-04 ppm1 8.780 ppm2 7.941 CV 1 ASSI { 1136} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 50 and name HA )) 6.000 5.900 0.000 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.52681E-04 ppm1 8.792 ppm2 4.141 CV 1 ASSI { 1137} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 46 and name HG2 )) 3.900 3.900 2.100 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.66788E-04 ppm1 8.205 ppm2 1.162 CV 1 ASSI { 1138} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HA )) 6.000 4.600 0.000 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.12719E-03 ppm1 8.216 ppm2 4.179 CV 1 ASSI { 1139} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 47 and name HB1 )) 6.000 4.500 0.000 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.97718E-04 ppm1 8.203 ppm2 2.693 CV 1 ASSI { 1140} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 46 and name HN )) 4.300 2.300 1.700 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.39180E-04 ppm1 7.576 ppm2 8.367 CV 1 ASSI { 1141} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 48 and name HN )) 4.900 3.000 1.100 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.10405E-03 ppm1 7.581 ppm2 8.784 CV 1 ASSI { 1142} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 52 and name HN )) 4.900 3.100 1.100 peak 1142 spectrum 1 weight 0.11000E+01 volume 0.12831E-03 ppm1 7.571 ppm2 7.355 CV 1 ASSI { 1143} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 46 and name HA )) 3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.39065E-03 ppm1 7.574 ppm2 3.786 CV 1 ASSI { 1144} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HB1 )) 6.000 5.300 0.000 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.42911E-04 ppm1 7.577 ppm2 2.690 CV 1 ASSI { 1145} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HB2 )) 4.900 4.900 1.100 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.18411E-04 ppm1 7.578 ppm2 2.520 CV 1 ASSI { 1146} (( segid "A " and resid 50 and name HN )) ( segid "A " and resid 52 and name HG2%) 4.400 2.500 1.600 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.45551E-03 ppm1 7.577 ppm2 0.942 CV 1 ASSI { 1148} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HA )) 3.100 1.200 1.200 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.15777E-02 ppm1 7.569 ppm2 4.302 CV 1 ASSI { 1149} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 28 and name HB2 )) 5.600 3.900 0.400 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.13657E-03 ppm1 7.946 ppm2 1.698 CV 1 ASSI { 1151} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 30 and name HG2 )) 5.600 3.900 0.400 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.65495E-04 ppm1 7.962 ppm2 1.609 CV 1 ASSI { 1152} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 28 and name HD2%) 6.000 6.000 0.000 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.80895E-04 ppm1 7.951 ppm2 0.946 CV 1 ASSI { 1154} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 31 and name HB1 )) 5.500 5.500 0.500 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.95085E-04 ppm1 8.212 ppm2 2.266 CV 1 ASSI { 1156} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 40 and name HD1%) 6.000 6.000 0.000 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.44712E-04 ppm1 8.439 ppm2 0.098 CV 1 ASSI { 1157} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 73 and name HB1 )) 6.000 4.400 0.000 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.91549E-04 ppm1 7.947 ppm2 4.280 CV 1 OR { 1157} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 73 and name HA )) ASSI { 1158} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 80 and name HB1 )) 6.000 4.600 0.000 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.33206E-04 ppm1 7.941 ppm2 2.256 CV 1 ASSI { 1161} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 32 and name HN )) 5.800 4.100 0.200 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.49031E-04 ppm1 7.936 ppm2 7.492 CV 1 ASSI { 1163} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 41 and name HN )) 6.000 4.900 0.000 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.47018E-04 ppm1 7.732 ppm2 8.736 CV 1 ASSI { 1167} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 33 and name HB2 )) 4.800 2.900 1.200 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.22584E-03 ppm1 7.731 ppm2 2.532 CV 1 ASSI { 1171} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 29 and name HD% ) 6.000 6.000 0.000 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.66705E-04 ppm1 7.760 ppm2 7.086 CV 1 ASSI { 1175} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HA )) 6.000 5.700 0.000 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.56986E-04 ppm1 7.752 ppm2 3.630 CV 1 ASSI { 1176} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 40 and name HD1%) 5.100 3.200 0.900 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.30944E-03 ppm1 7.483 ppm2 0.095 CV 1 ASSI { 1177} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 28 and name HA )) 5.900 4.300 0.100 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.35039E-04 ppm1 7.468 ppm2 4.156 CV 1 ASSI { 1181} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 29 and name HE% ) 6.000 6.000 0.000 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.68589E-04 ppm1 7.837 ppm2 6.934 CV 1 ASSI { 1184} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 40 and name HG11)) 5.700 4.100 0.300 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.60390E-04 ppm1 7.842 ppm2 0.951 CV 1 ASSI { 1186} (( segid "A " and resid 33 and name HN )) ( segid "A " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.17963E-03 ppm1 7.830 ppm2 0.077 CV 1 ASSI { 1188} (( segid "A " and resid 80 and name HN )) ( segid "A " and resid 81 and name HD% ) 6.000 6.000 0.000 peak 1188 spectrum 1 weight 0.11000E+01 volume 0.27625E-04 ppm1 8.603 ppm2 6.994 CV 1 ASSI { 1191} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 60 and name HN )) 5.000 3.100 1.000 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.24714E-03 ppm1 9.102 ppm2 7.072 CV 1 ASSI { 1192} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 42 and name HE% ) 6.000 6.000 0.000 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.70209E-04 ppm1 9.482 ppm2 7.190 CV 1 ASSI { 1193} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 42 and name HE% ) 3.100 1.200 1.200 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.13444E-02 ppm1 8.438 ppm2 7.220 CV 1 OR { 1193} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 42 and name HZ )) ASSI { 1194} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 42 and name HE% ) 4.100 4.100 1.900 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.53074E-04 ppm1 7.822 ppm2 7.188 CV 1 OR { 1194} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 42 and name HZ )) ASSI { 1196} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 40 and name HD1%) 6.000 6.000 0.000 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.38116E-04 ppm1 9.712 ppm2 0.091 CV 1 ASSI { 1197} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HN )) 2.200 0.600 0.600 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.30920E-02 ppm1 7.740 ppm2 -1.436 CV 1 ASSI { 1199} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 38 and name HN )) 4.700 2.700 1.300 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.50009E-03 ppm1 7.752 ppm2 -1.421 CV 1 ASSI { 1200} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 42 and name HD% ) 5.100 5.100 0.900 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.92188E-04 ppm1 8.363 ppm2 7.296 CV 1 ASSI { 1201} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 74 and name HN )) 6.000 6.000 0.000 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.40422E-04 ppm1 7.949 ppm2 10.747 CV 1 ASSI { 1202} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 71 and name HN )) 5.500 3.800 0.500 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.56493E-04 ppm1 9.147 ppm2 7.902 CV 1 ASSI { 1206} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HD2 )) 5.400 3.700 0.600 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.10227E-03 ppm1 7.922 ppm2 1.720 CV 1 ASSI { 1207} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 47 and name HN )) 3.800 1.800 1.800 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.84724E-04 ppm1 7.925 ppm2 8.147 CV 1 ASSI { 1208} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 45 and name HD1%) 5.500 5.500 0.500 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.12718E-03 ppm1 8.354 ppm2 0.934 CV 1 ASSI { 1209} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 63 and name HB2 )) 4.100 2.100 1.900 peak 1209 spectrum 1 weight 0.11000E+01 volume 0.50144E-04 ppm1 8.343 ppm2 2.860 CV 1 ASSI { 1210} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 62 and name HD2 )) 3.600 3.600 2.400 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.10480E-03 ppm1 8.356 ppm2 1.600 CV 1 ASSI { 1211} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 45 and name HB1 )) 6.000 6.000 0.000 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.13944E-04 ppm1 8.349 ppm2 1.382 CV 1 ASSI { 1213} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 18 and name HB1 )) 5.100 3.300 0.900 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.95985E-04 ppm1 8.518 ppm2 4.005 CV 1 ASSI { 1214} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 12 and name HA )) 5.700 4.100 0.300 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.27806E-04 ppm1 8.142 ppm2 4.641 CV 1 ASSI { 1217} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 62 and name HB2 )) 2.800 2.800 3.200 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.54982E-03 ppm1 8.380 ppm2 2.021 CV 1 ASSI { 1218} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HG2 )) 3.900 1.900 1.900 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.73367E-04 ppm1 8.860 ppm2 1.347 CV 1 ASSI { 1219} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 45 and name HG )) 3.900 1.900 1.900 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.69045E-04 ppm1 8.802 ppm2 1.506 CV 1 ASSI { 1220} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 50 and name HB2 )) 5.100 3.200 0.900 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.13665E-04 ppm1 7.710 ppm2 1.970 CV 1 ASSI { 1223} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 20 and name HN )) 2.300 2.300 3.700 peak 1223 spectrum 1 weight 0.11000E+01 volume 0.14512E-02 ppm1 8.239 ppm2 8.539 CV 1 ASSI { 1224} (( segid "A " and resid 23 and name HN )) ( segid "A " and resid 78 and name HE% ) 3.700 3.700 2.300 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.76949E-03 ppm1 8.240 ppm2 6.423 CV 1 ASSI { 1225} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 78 and name HB2 )) 3.500 3.500 2.500 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.12501E-02 ppm1 8.238 ppm2 2.530 CV 1 ASSI { 1226} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 78 and name HB1 )) 4.200 2.200 1.800 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.28692E-03 ppm1 8.240 ppm2 2.263 CV 1 ASSI { 1228} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HA2 )) 3.000 1.100 1.100 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.26520E-02 ppm1 8.237 ppm2 3.719 CV 1 ASSI { 1229} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HA1 )) 2.200 0.600 0.600 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.48189E-02 ppm1 8.239 ppm2 3.970 CV 1 ASSI { 1230} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 62 and name HD1 )) 2.900 2.900 3.100 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.38579E-03 ppm1 8.376 ppm2 1.312 CV 1 OR { 1230} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 62 and name HG2 )) ASSI { 1231} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 77 and name HA )) 5.800 4.200 0.200 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.82008E-04 ppm1 8.369 ppm2 5.336 CV 1 ASSI { 1232} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 20 and name HA )) 3.700 3.700 2.300 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.91222E-04 ppm1 8.385 ppm2 4.131 CV 1 ASSI { 1235} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 76 and name HG11)) 6.000 4.800 0.000 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.58377E-04 ppm1 8.386 ppm2 1.057 CV 1 ASSI { 1238} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HN )) 6.000 4.500 0.000 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.73023E-04 ppm1 9.714 ppm2 8.696 CV 1 ASSI { 1240} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 32 and name HG2%) 6.000 6.000 0.000 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.21239E-03 ppm1 9.721 ppm2 0.760 CV 1 ASSI { 1244} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 44 and name HG2 )) 6.000 6.000 0.000 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.10883E-04 ppm1 9.474 ppm2 2.359 CV 1 ASSI { 1245} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 45 and name HA )) 6.000 6.000 0.000 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.53008E-04 ppm1 9.477 ppm2 3.865 CV 1 ASSI { 1248} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 42 and name HN )) 4.000 2.000 2.000 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.62908E-04 ppm1 9.732 ppm2 9.441 CV 1 ASSI { 1249} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 41 and name HN )) 6.000 5.600 0.000 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.17888E-04 ppm1 9.728 ppm2 8.757 CV 1 ASSI { 1250} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 81 and name HN )) 6.000 4.800 0.000 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.43565E-04 ppm1 8.382 ppm2 8.915 CV 1 ASSI { 1253} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 36 and name HA )) 6.000 4.800 0.000 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.64709E-04 ppm1 7.934 ppm2 4.331 CV 1 ASSI { 1257} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HB1 )) 6.000 5.000 0.000 peak 1257 spectrum 1 weight 0.11000E+01 volume 0.10850E-04 ppm1 7.486 ppm2 2.331 CV 1 ASSI { 1260} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 40 and name HA )) 6.000 6.000 0.000 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.10949E-04 ppm1 11.074 ppm2 4.984 CV 1 ASSI { 1265} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 38 and name HA1 )) 6.000 6.000 0.000 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.57459E-04 ppm1 8.159 ppm2 3.714 CV 1 ASSI { 1270} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB2 )) 2.600 0.900 0.900 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.28965E-02 ppm1 9.094 ppm2 2.148 CV 1 OR { 1270} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB1 )) ASSI { 1271} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 56 and name HB2 )) 5.700 4.100 0.300 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.59048E-04 ppm1 9.102 ppm2 1.529 CV 1 ASSI { 1273} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 61 and name HN )) 6.000 5.500 0.000 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.36905E-04 ppm1 9.100 ppm2 8.225 CV 1 ASSI { 1276} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 28 and name HD1%) 3.800 1.800 1.800 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 8.437 ppm2 1.019 CV 1 ASSI { 1277} (( segid "A " and resid 69 and name HN )) ( segid "A " and resid 68 and name HB% ) 2.600 0.800 0.800 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.52352E-02 ppm1 8.068 ppm2 1.308 CV 1 ASSI { 1278} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 29 and name HE% ) 4.100 4.100 1.900 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.48621E-04 ppm1 8.378 ppm2 6.941 CV 1 ASSI { 1279} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HD1 )) 5.700 4.100 0.300 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.11636E-03 ppm1 7.916 ppm2 3.182 CV 1 ASSI { 1280} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 42 and name HE% ) 6.000 6.000 0.000 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.75526E-04 ppm1 8.775 ppm2 7.259 CV 1 OR { 1280} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 42 and name HZ )) ASSI { 1281} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 64 and name HB2 )) 5.800 4.100 0.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.61878E-04 ppm1 7.058 ppm2 1.665 CV 1 ASSI { 1282} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 62 and name HG1 )) 3.400 1.500 1.500 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.12807E-02 ppm1 8.201 ppm2 1.388 CV 1 ASSI { 1283} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HB1 )) 3.800 1.800 1.800 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.13292E-03 ppm1 8.370 ppm2 3.383 CV 1 ASSI { 1284} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HB2 )) 6.000 5.800 0.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.39948E-04 ppm1 8.374 ppm2 3.292 CV 1 ASSI { 1288} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HA )) 2.900 1.100 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.16438E-02 ppm1 8.741 ppm2 4.119 CV 1 ASSI { 1289} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 17 and name HB1 )) 4.200 2.200 1.800 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.45971E-04 ppm1 8.735 ppm2 1.741 CV 1 ASSI { 1292} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HG2 )) 2.900 2.900 3.100 peak 1292 spectrum 1 weight 0.11000E+01 volume 0.36239E-02 ppm1 7.912 ppm2 1.460 CV 1 ASSI { 1295} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 82 and name HA )) 5.500 3.800 0.500 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.18475E-03 ppm1 8.925 ppm2 3.496 CV 1 ASSI { 1296} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 76 and name HA )) 4.100 2.100 1.900 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.50783E-04 ppm1 8.930 ppm2 5.162 CV 1 ASSI { 1298} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 78 and name HN )) 6.000 4.600 0.000 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.62549E-04 ppm1 9.161 ppm2 8.777 CV 1 ASSI { 1300} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 81 and name HN )) 5.100 3.200 0.900 peak 1300 spectrum 1 weight 0.11000E+01 volume 0.56593E-04 ppm1 9.139 ppm2 8.931 CV 1 ASSI { 1304} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 80 and name HA )) 5.000 3.100 1.000 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.68931E-04 ppm1 7.696 ppm2 4.158 CV 1 ASSI { 1307} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 81 and name HN )) 5.700 4.000 0.300 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.47115E-04 ppm1 7.724 ppm2 8.900 CV 1 ASSI { 1314} (( segid "A " and resid 7 and name HN )) ( segid "A " and resid 6 and name HD1%) 2.200 2.200 3.800 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.20650E-02 ppm1 8.516 ppm2 0.837 CV 1 ASSI { 1315} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 11 and name HG2 )) 4.000 2.000 2.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.43047E-03 ppm1 8.512 ppm2 1.396 CV 1 ASSI { 1316} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 12 and name HB1 )) 5.600 4.000 0.400 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.63335E-04 ppm1 8.503 ppm2 3.348 CV 1 ASSI { 1317} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.28819E-02 ppm1 8.330 ppm2 3.179 CV 1 ASSI { 1318} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 10 and name HB2 )) 2.900 2.900 3.100 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.43787E-03 ppm1 8.330 ppm2 2.721 CV 1
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