NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
23473 | 2jvx | 15499 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! unambiguous NOEs ASSI { 1} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.52048E-02 ppm1 3.292 ppm2 5.014 CV 1 ASSI { 2} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.600 0.900 0.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.38808E-02 ppm1 2.392 ppm2 5.017 CV 1 ASSI { 3} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.24231E-02 ppm1 9.216 ppm2 5.149 CV 1 ASSI { 4} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.300 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.88558E-03 ppm1 9.217 ppm2 4.497 CV 1 ASSI { 5} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.22278E-02 ppm1 9.233 ppm2 4.344 CV 1 ASSI { 6} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD2 )) 2.900 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 9.233 ppm2 4.208 CV 1 ASSI { 7} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.81598E-03 ppm1 9.194 ppm2 4.019 CV 1 ASSI { 10} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 9.216 ppm2 3.269 CV 1 ASSI { 11} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.900 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 9.195 ppm2 3.078 CV 1 ASSI { 12} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 9.215 ppm2 2.720 CV 1 ASSI { 13} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.500 2.500 1.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.21351E-03 ppm1 9.217 ppm2 2.608 CV 1 ASSI { 14} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB )) 2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.40770E-02 ppm1 9.195 ppm2 2.245 CV 1 ASSI { 15} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.500 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.49305E-02 ppm1 9.233 ppm2 1.975 CV 1 ASSI { 16} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.34692E-02 ppm1 9.234 ppm2 1.893 CV 1 ASSI { 17} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HG2%) 2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.47963E-02 ppm1 9.194 ppm2 1.348 CV 1 ASSI { 18} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HG1%) 3.500 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 9.194 ppm2 1.173 CV 1 ASSI { 19} (( segid " " and resid 23 and name HN )) ( segid " " and resid 19 and name HD1%) 3.500 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.96187E-03 ppm1 9.193 ppm2 0.874 CV 1 ASSI { 20} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.29097E-02 ppm1 8.648 ppm2 3.944 CV 1 ASSI { 21} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.600 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.34543E-02 ppm1 8.648 ppm2 3.913 CV 1 ASSI { 22} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.41452E-02 ppm1 8.650 ppm2 2.532 CV 1 ASSI { 23} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HG2%) 3.400 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 8.650 ppm2 1.406 CV 1 ASSI { 24} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 4.200 2.300 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.31790E-03 ppm1 8.649 ppm2 4.271 CV 1 ASSI { 25} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.22882E-02 ppm1 8.310 ppm2 4.018 CV 1 ASSI { 27} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) 2.900 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25724E-02 ppm1 8.307 ppm2 2.137 CV 1 ASSI { 28} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.300 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 8.245 ppm2 4.136 CV 1 ASSI { 29} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HG2%) 3.900 1.900 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 8.249 ppm2 0.864 CV 1 OR { 29} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HD1%) ASSI { 30} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG11)) 2.600 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.25679E-02 ppm1 8.247 ppm2 1.136 CV 1 ASSI { 31} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.64166E-02 ppm1 8.231 ppm2 2.526 CV 1 OR { 31} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) ASSI { 32} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.400 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.66695E-03 ppm1 8.173 ppm2 2.968 CV 1 OR { 32} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 33} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.29915E-02 ppm1 7.908 ppm2 3.635 CV 1 ASSI { 34} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.900 1.900 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.41697E-03 ppm1 7.908 ppm2 3.754 CV 1 ASSI { 35} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.18906E-02 ppm1 7.908 ppm2 1.888 CV 1 ASSI { 36} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.29293E-02 ppm1 7.908 ppm2 3.074 CV 1 ASSI { 37} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.26528E-02 ppm1 8.308 ppm2 2.506 CV 1 OR { 37} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG1 )) ASSI { 38} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HB% ) 3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.97241E-03 ppm1 8.269 ppm2 1.442 CV 1 ASSI { 39} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 8.262 ppm2 1.895 CV 1 ASSI { 40} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.200 1.300 1.300 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 8.262 ppm2 1.976 CV 1 ASSI { 41} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD1%) 5.000 3.100 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.35919E-03 ppm1 7.803 ppm2 0.878 CV 1 ASSI { 42} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD2%) 4.800 2.900 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.50290E-03 ppm1 7.801 ppm2 0.978 CV 1 ASSI { 43} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG )) 4.600 2.600 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.48706E-03 ppm1 7.799 ppm2 1.692 CV 1 ASSI { 44} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.600 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.34338E-02 ppm1 7.758 ppm2 2.022 CV 1 ASSI { 45} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.43221E-02 ppm1 7.800 ppm2 2.234 CV 1 ASSI { 46} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.30605E-02 ppm1 7.759 ppm2 2.510 CV 1 ASSI { 47} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.92491E-03 ppm1 7.846 ppm2 2.618 CV 1 ASSI { 48} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) 4.100 2.200 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.54127E-03 ppm1 7.867 ppm2 2.221 CV 1 OR { 48} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG1 )) ASSI { 49} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 7.871 ppm2 2.054 CV 1 ASSI { 50} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 7.870 ppm2 1.897 CV 1 ASSI { 51} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.20731E-02 ppm1 7.760 ppm2 3.784 CV 1 ASSI { 52} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 7.799 ppm2 4.099 CV 1 ASSI { 54} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.000 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16837E-02 ppm1 7.908 ppm2 4.098 CV 1 ASSI { 55} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 3.900 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.33320E-03 ppm1 7.852 ppm2 5.155 CV 1 ASSI { 56} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.38869E-03 ppm1 7.636 ppm2 4.372 CV 1 ASSI { 57} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.100 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.30224E-02 ppm1 7.638 ppm2 1.638 CV 1 ASSI { 58} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.27042E-02 ppm1 7.639 ppm2 1.716 CV 1 ASSI { 59} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.73655E-03 ppm1 7.635 ppm2 2.212 CV 1 ASSI { 60} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 7.399 ppm2 4.151 CV 1 ASSI { 61} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG1 )) 3.200 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 7.396 ppm2 2.623 CV 1 ASSI { 62} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 7.400 ppm2 2.746 CV 1 ASSI { 63} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.53095E-02 ppm1 7.399 ppm2 2.154 CV 1 OR { 63} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 64} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 7.343 ppm2 3.751 CV 1 ASSI { 65} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 7.344 ppm2 1.890 CV 1 ASSI { 66} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG12)) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.38659E-02 ppm1 7.345 ppm2 1.688 CV 1 ASSI { 67} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG11)) 2.700 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 7.345 ppm2 1.189 CV 1 ASSI { 68} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) 4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11580E-02 ppm1 7.342 ppm2 0.899 CV 1 ASSI { 69} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HD1%) 4.400 2.400 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.43875E-03 ppm1 7.343 ppm2 0.820 CV 1 ASSI { 70} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.900 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.42082E-02 ppm1 7.027 ppm2 1.832 CV 1 ASSI { 71} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.900 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 7.025 ppm2 1.932 CV 1 ASSI { 73} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.29811E-02 ppm1 7.023 ppm2 4.261 CV 1 ASSI { 74} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.96791E-03 ppm1 7.023 ppm2 4.156 CV 1 ASSI { 75} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.800 1.800 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.47124E-03 ppm1 7.399 ppm2 3.626 CV 1 ASSI { 76} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) 3.500 1.600 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.74549E-03 ppm1 7.399 ppm2 3.749 CV 1 ASSI { 77} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.900 1.900 1.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.41434E-03 ppm1 7.340 ppm2 4.015 CV 1 ASSI { 78} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 4.000 2.000 2.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.37719E-03 ppm1 8.308 ppm2 4.101 CV 1 ASSI { 79} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.900 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.23215E-02 ppm1 7.797 ppm2 3.910 CV 1 ASSI { 80} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 3.000 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 7.798 ppm2 3.949 CV 1 ASSI { 81} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.16522E-02 ppm1 8.231 ppm2 4.271 CV 1 ASSI { 82} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 3.800 1.800 1.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.45014E-03 ppm1 7.836 ppm2 4.642 CV 1 ASSI { 83} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 9.196 ppm2 7.388 CV 1 ASSI { 84} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.20305E-02 ppm1 9.195 ppm2 7.907 CV 1 ASSI { 85} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.27629E-02 ppm1 8.650 ppm2 7.793 CV 1 ASSI { 90} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.22906E-02 ppm1 8.310 ppm2 7.339 CV 1 ASSI { 93} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 3.300 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.13302E-02 ppm1 7.873 ppm2 8.242 CV 1 ASSI { 94} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.21879E-02 ppm1 7.801 ppm2 8.305 CV 1 ASSI { 95} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 3.100 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.12764E-02 ppm1 7.759 ppm2 8.244 CV 1 ASSI { 100} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.26001E-02 ppm1 7.344 ppm2 7.909 CV 1 ASSI { 101} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.500 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.46041E-02 ppm1 7.025 ppm2 7.756 CV 1 ASSI { 103} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.600 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.37497E-02 ppm1 5.157 ppm2 2.616 CV 1 ASSI { 104} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.900 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 5.164 ppm2 2.560 CV 1 ASSI { 106} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.43716E-02 ppm1 9.233 ppm2 8.256 CV 1 ASSI { 108} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 3.400 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 7.992 ppm2 8.801 CV 1 ASSI { 109} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.23907E-02 ppm1 8.233 ppm2 8.642 CV 1 ASSI { 112} (( segid " " and resid 8 and name HN )) (( segid " " and resid 10 and name HN )) 5.500 3.700 0.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21216E-03 ppm1 9.237 ppm2 8.001 CV 1 ASSI { 114} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 7.028 ppm2 7.395 CV 1 ASSI { 115} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.300 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.97507E-03 ppm1 8.801 ppm2 4.155 CV 1 ASSI { 116} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.15340E-02 ppm1 8.801 ppm2 3.273 CV 1 ASSI { 117} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.200 1.300 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 8.802 ppm2 3.098 CV 1 ASSI { 118} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.800 1.800 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.33530E-03 ppm1 8.803 ppm2 2.718 CV 1 ASSI { 119} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 5.400 3.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.19814E-03 ppm1 8.799 ppm2 2.363 CV 1 ASSI { 120} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 8.801 ppm2 1.923 CV 1 ASSI { 121} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 4.700 2.800 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.10217E-03 ppm1 8.803 ppm2 4.097 CV 1 ASSI { 122} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 4.000 2.000 2.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.42386E-03 ppm1 8.308 ppm2 3.904 CV 1 ASSI { 123} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.76616E-03 ppm1 8.229 ppm2 3.901 CV 1 ASSI { 124} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.32686E-02 ppm1 8.247 ppm2 3.782 CV 1 ASSI { 125} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG )) 3.400 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 8.306 ppm2 1.696 CV 1 ASSI { 126} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD1%) 5.000 3.200 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.28115E-03 ppm1 8.306 ppm2 0.866 CV 1 ASSI { 127} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD2%) 4.900 3.000 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.28653E-03 ppm1 8.303 ppm2 0.978 CV 1 ASSI { 128} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.10534E-02 ppm1 8.276 ppm2 4.371 CV 1 ASSI { 129} (( segid " " and resid 13 and name HN )) (( segid " " and resid 5 and name HA )) 4.400 2.500 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.20469E-03 ppm1 8.275 ppm2 5.156 CV 1 ASSI { 130} (( segid " " and resid 13 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.000 2.000 2.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.30329E-03 ppm1 8.272 ppm2 2.972 CV 1 OR { 130} (( segid " " and resid 13 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 131} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 3.000 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 8.267 ppm2 5.015 CV 1 ASSI { 133} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.26702E-02 ppm1 8.263 ppm2 2.379 CV 1 ASSI { 134} (( segid " " and resid 27 and name HN )) (( segid " " and resid 23 and name HA )) 4.100 2.100 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.78612E-03 ppm1 8.247 ppm2 3.627 CV 1 ASSI { 135} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.58760E-03 ppm1 8.266 ppm2 2.714 CV 1 ASSI { 136} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 8.165 ppm2 4.253 CV 1 ASSI { 137} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 7.992 ppm2 4.094 CV 1 ASSI { 138} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.87580E-03 ppm1 7.991 ppm2 5.016 CV 1 ASSI { 139} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.30567E-02 ppm1 7.992 ppm2 3.277 CV 1 ASSI { 140} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.900 1.100 1.100 peak 140 spectrum 1 weight 0.10000E+01 volume 0.18284E-02 ppm1 7.989 ppm2 2.236 CV 1 ASSI { 142} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 3.700 1.700 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 7.909 ppm2 0.892 CV 1 ASSI { 143} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG11)) 4.800 2.900 1.200 peak 143 spectrum 1 weight 0.10000E+01 volume 0.30013E-03 ppm1 7.907 ppm2 1.178 CV 1 ASSI { 144} (( segid " " and resid 22 and name HN )) ( segid " " and resid 23 and name HG2%) 5.100 3.200 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.26713E-03 ppm1 7.909 ppm2 1.347 CV 1 ASSI { 145} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG12)) 4.900 3.000 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.33232E-03 ppm1 7.912 ppm2 1.694 CV 1 ASSI { 146} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HG2%) 3.600 1.600 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.77742E-03 ppm1 7.871 ppm2 0.863 CV 1 ASSI { 147} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.300 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.69011E-02 ppm1 7.799 ppm2 1.446 CV 1 ASSI { 148} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 7.761 ppm2 3.625 CV 1 ASSI { 149} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.400 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.91170E-03 ppm1 7.761 ppm2 4.263 CV 1 ASSI { 150} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.900 1.900 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.63828E-03 ppm1 7.758 ppm2 1.934 CV 1 ASSI { 151} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 5.000 3.200 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.12770E-03 ppm1 7.754 ppm2 1.818 CV 1 ASSI { 152} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.100 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10901E-01 ppm1 7.635 ppm2 4.156 CV 1 ASSI { 153} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.600 2.700 1.400 peak 153 spectrum 1 weight 0.10000E+01 volume 0.56452E-03 ppm1 7.640 ppm2 3.102 CV 1 ASSI { 154} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 4.200 2.200 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.27041E-03 ppm1 7.636 ppm2 2.126 CV 1 ASSI { 155} (( segid " " and resid 24 and name HN )) (( segid " " and resid 20 and name HA )) 4.600 2.600 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.19394E-03 ppm1 7.404 ppm2 4.025 CV 1 ASSI { 156} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG2%) 4.100 2.100 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.99687E-03 ppm1 7.400 ppm2 1.347 CV 1 ASSI { 157} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG1%) 3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10149E-02 ppm1 7.400 ppm2 1.176 CV 1 ASSI { 158} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.88267E-03 ppm1 7.345 ppm2 3.905 CV 1 ASSI { 159} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.15821E-02 ppm1 7.345 ppm2 2.218 CV 1 ASSI { 160} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.400 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 7.344 ppm2 2.138 CV 1 ASSI { 162} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 162 spectrum 1 weight 0.10000E+01 volume 0.36036E-03 ppm1 8.166 ppm2 7.840 CV 1 ASSI { 163} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.400 2.500 1.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.25101E-03 ppm1 8.271 ppm2 8.800 CV 1 ASSI { 164} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 3.400 1.400 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 7.992 ppm2 8.258 CV 1 ASSI { 167} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.300 0.600 0.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.62661E-02 ppm1 4.161 ppm2 3.097 CV 1 ASSI { 168} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 2.500 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10423E-01 ppm1 4.106 ppm2 3.075 CV 1 ASSI { 169} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB1 )) 1.800 0.400 0.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11103E-01 ppm1 3.647 ppm2 3.076 CV 1 ASSI { 170} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.57376E-02 ppm1 3.679 ppm2 2.719 CV 1 OR { 170} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) ASSI { 171} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HG2%) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.41334E-02 ppm1 4.150 ppm2 0.867 CV 1 ASSI { 173} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB1 )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.90897E-02 ppm1 4.116 ppm2 1.440 CV 1 ASSI { 174} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) 2.200 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.89162E-02 ppm1 3.953 ppm2 1.406 CV 1 ASSI { 175} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.11224E-01 ppm1 3.915 ppm2 1.404 CV 1 ASSI { 178} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HG1%) 2.300 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.72920E-02 ppm1 3.633 ppm2 1.171 CV 1 ASSI { 182} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.85395E-02 ppm1 3.786 ppm2 2.031 CV 1 ASSI { 183} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.76782E-02 ppm1 4.345 ppm2 1.893 CV 1 ASSI { 184} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) 2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.66121E-02 ppm1 4.346 ppm2 1.974 CV 1 ASSI { 185} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.45008E-02 ppm1 4.265 ppm2 1.936 CV 1 ASSI { 187} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.58135E-02 ppm1 4.035 ppm2 2.210 CV 1 ASSI { 188} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.78624E-02 ppm1 4.028 ppm2 2.137 CV 1 ASSI { 189} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.300 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.91892E-02 ppm1 4.156 ppm2 2.124 CV 1 OR { 189} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 190} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.300 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.11608E-01 ppm1 4.284 ppm2 2.529 CV 1 OR { 190} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 191} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.58939E-02 ppm1 3.757 ppm2 0.896 CV 1 ASSI { 192} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG11)) 2.900 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.33997E-02 ppm1 3.763 ppm2 1.192 CV 1 ASSI { 194} (( segid " " and resid 20 and name HA )) ( segid " " and resid 23 and name HG2%) 2.400 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.64871E-02 ppm1 4.028 ppm2 1.351 CV 1 ASSI { 195} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG2 )) 3.000 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.22769E-02 ppm1 4.346 ppm2 1.348 CV 1 ASSI { 196} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HB1 )) 1.800 0.400 0.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.11515E-01 ppm1 3.281 ppm2 2.718 CV 1 ASSI { 197} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 1.900 0.400 0.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11529E-01 ppm1 3.291 ppm2 2.386 CV 1 ASSI { 198} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 1.800 0.400 0.400 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12427E-01 ppm1 3.104 ppm2 1.924 CV 1 ASSI { 201} (( segid " " and resid 8 and name HE1 )) (( segid " " and resid 8 and name HD1 )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.54946E-02 ppm1 2.933 ppm2 1.626 CV 1 ASSI { 202} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 19 and name HD2%) 2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.38509E-02 ppm1 2.974 ppm2 0.977 CV 1 OR { 202} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 19 and name HD2%) ASSI { 203} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.800 0.400 0.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.12554E-01 ppm1 2.026 ppm2 2.515 CV 1 ASSI { 205} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG1%) 2.200 0.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.81302E-02 ppm1 2.241 ppm2 1.172 CV 1 ASSI { 207} (( segid " " and resid 27 and name HB )) ( segid " " and resid 27 and name HG2%) 2.200 0.600 0.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10918E-01 ppm1 1.969 ppm2 0.864 CV 1 OR { 207} (( segid " " and resid 27 and name HB )) ( segid " " and resid 27 and name HD1%) ASSI { 208} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HG2%) 2.100 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.10701E-01 ppm1 1.890 ppm2 0.893 CV 1 ASSI { 211} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 19 and name HD1%) 2.900 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 2.241 ppm2 0.876 CV 1 ASSI { 215} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 4.392 ppm2 1.720 CV 1 ASSI { 216} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG12)) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.21764E-02 ppm1 3.759 ppm2 1.687 CV 1 ASSI { 217} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG )) 2.900 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.25835E-02 ppm1 4.115 ppm2 1.708 CV 1 ASSI { 218} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG1 )) 2.900 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.25563E-02 ppm1 4.350 ppm2 1.250 CV 1 ASSI { 219} (( segid " " and resid 18 and name HA )) ( segid " " and resid 21 and name HD1%) 2.700 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.26828E-02 ppm1 3.914 ppm2 0.815 CV 1 ASSI { 227} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.600 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.31597E-02 ppm1 2.981 ppm2 4.644 CV 1 OR { 227} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) ASSI { 228} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HA )) 2.500 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.70427E-02 ppm1 2.723 ppm2 4.512 CV 1 ASSI { 229} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) 2.600 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.64426E-02 ppm1 2.256 ppm2 4.416 CV 1 ASSI { 231} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 3.300 1.300 1.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.92265E-03 ppm1 2.371 ppm2 4.083 CV 1 ASSI { 232} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.63479E-02 ppm1 1.448 ppm2 4.337 CV 1 ASSI { 233} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 4 and name HA )) 3.800 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.27522E-02 ppm1 0.983 ppm2 4.643 CV 1 ASSI { 234} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 6 and name HA )) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.38658E-02 ppm1 0.880 ppm2 4.518 CV 1 ASSI { 235} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HA )) 2.100 0.500 0.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.10053E-01 ppm1 0.882 ppm2 4.100 CV 1 ASSI { 236} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HB )) 2.200 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.91614E-02 ppm1 1.409 ppm2 3.925 CV 1 OR { 236} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HA )) ASSI { 239} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.24196E-02 ppm1 2.523 ppm2 3.780 CV 1 ASSI { 240} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.44948E-02 ppm1 2.526 ppm2 3.627 CV 1 ASSI { 241} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HD2 )) 3.500 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 2.246 ppm2 3.725 CV 1 ASSI { 245} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) 2.200 0.600 0.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.88261E-02 ppm1 1.353 ppm2 3.629 CV 1 ASSI { 246} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HD1 )) 3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.35592E-02 ppm1 1.447 ppm2 3.635 CV 1 ASSI { 247} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HD2 )) 2.800 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 1.448 ppm2 3.720 CV 1 ASSI { 252} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 4 and name HB1 )) 2.200 0.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.80846E-02 ppm1 1.448 ppm2 2.964 CV 1 OR { 252} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 4 and name HB2 )) ASSI { 254} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 6 and name HB2 )) 2.600 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 1.929 ppm2 3.277 CV 1 ASSI { 255} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD2 )) 2.200 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.81971E-02 ppm1 1.971 ppm2 3.721 CV 1 OR { 255} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HD2 )) ASSI { 256} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HD1 )) 2.200 0.600 0.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.97229E-02 ppm1 1.970 ppm2 3.631 CV 1 OR { 256} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD1 )) ASSI { 259} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.62057E-03 ppm1 1.653 ppm2 4.363 CV 1 ASSI { 260} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 3.278 ppm2 4.514 CV 1 ASSI { 261} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.56344E-02 ppm1 2.603 ppm2 5.149 CV 1 OR { 261} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) ASSI { 263} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB2 )) 2.300 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.75527E-02 ppm1 0.985 ppm2 2.234 CV 1 ASSI { 265} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HG )) 2.300 0.600 0.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 0.991 ppm2 1.704 CV 1 ASSI { 266} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 21 and name HG12)) 1.800 0.400 0.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.12812E-01 ppm1 1.196 ppm2 1.687 CV 1 ASSI { 267} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.200 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.76918E-02 ppm1 1.354 ppm2 2.248 CV 1 ASSI { 268} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HB2 )) 1.800 0.400 0.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.95867E-02 ppm1 1.453 ppm2 2.238 CV 1 ASSI { 269} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 3.100 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 0.866 ppm2 1.706 CV 1 ASSI { 270} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 6.449 ppm2 4.339 CV 1 ASSI { 271} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.22261E-02 ppm1 6.981 ppm2 4.640 CV 1 ASSI { 272} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 4 and name HB1 )) 2.100 0.600 0.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.75005E-02 ppm1 6.983 ppm2 2.954 CV 1 OR { 272} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 4 and name HB2 )) ASSI { 273} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 6 and name HB2 )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 6.348 ppm2 3.271 CV 1 ASSI { 274} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 6 and name HB1 )) 3.400 1.500 1.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.25938E-02 ppm1 6.349 ppm2 2.715 CV 1 ASSI { 275} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 13 and name HA )) 3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.56084E-03 ppm1 6.347 ppm2 4.345 CV 1 ASSI { 276} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.41743E-02 ppm1 6.347 ppm2 4.153 CV 1 ASSI { 277} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 6.446 ppm2 4.155 CV 1 ASSI { 278} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 19 and name HA )) 2.600 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.25072E-02 ppm1 6.450 ppm2 4.097 CV 1 ASSI { 279} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.51533E-03 ppm1 6.353 ppm2 8.795 CV 1 ASSI { 280} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.35797E-03 ppm1 6.351 ppm2 9.210 CV 1 ASSI { 281} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 12 and name HN )) 3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.18604E-02 ppm1 6.346 ppm2 7.632 CV 1 ASSI { 282} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 12 and name HN )) 3.500 1.500 1.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.75645E-03 ppm1 6.447 ppm2 7.630 CV 1 ASSI { 285} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 4 and name HN )) 3.400 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.63040E-03 ppm1 6.981 ppm2 8.162 CV 1 ASSI { 286} ( segid " " and resid 11 and name HD% ) ( segid " " and resid 19 and name HD1%) 2.500 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.29251E-02 ppm1 6.348 ppm2 0.875 CV 1 ASSI { 287} ( segid " " and resid 11 and name HE% ) ( segid " " and resid 19 and name HD1%) 2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22481E-02 ppm1 6.447 ppm2 0.872 CV 1 ASSI { 288} ( segid " " and resid 11 and name HE% ) ( segid " " and resid 13 and name HB% ) 2.000 0.500 0.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.88297E-02 ppm1 6.453 ppm2 1.428 CV 1 ASSI { 289} ( segid " " and resid 11 and name HD% ) ( segid " " and resid 13 and name HB% ) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.29684E-02 ppm1 6.349 ppm2 1.436 CV 1 ASSI { 290} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 11 and name HB1 )) 2.100 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.74786E-02 ppm1 6.347 ppm2 1.922 CV 1 ASSI { 291} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 11 and name HB2 )) 2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.65356E-02 ppm1 6.348 ppm2 3.091 CV 1 ASSI { 292} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 22 and name HB2 )) 3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 6.349 ppm2 3.633 CV 1 ASSI { 293} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 11 and name HB1 )) 3.400 1.400 1.400 peak 293 spectrum 1 weight 0.10000E+01 volume 0.21542E-02 ppm1 6.445 ppm2 1.918 CV 1 ASSI { 295} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 22 and name HB2 )) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 6.449 ppm2 3.635 CV 1 ASSI { 296} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 4 and name HB1 )) 3.500 1.600 1.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 7.260 ppm2 2.966 CV 1 OR { 296} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 4 and name HB2 )) ASSI { 297} ( segid " " and resid 4 and name HD% ) ( segid " " and resid 19 and name HD2%) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.30648E-02 ppm1 6.982 ppm2 0.975 CV 1 ASSI { 298} (( segid " " and resid 15 and name HN )) ( segid " " and resid 13 and name HB% ) 2.500 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44542E-02 ppm1 6.950 ppm2 1.442 CV 1 ASSI { 299} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 23 and name HN )) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.20051E-02 ppm1 6.969 ppm2 9.191 CV 1 ASSI { 301} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 22 and name HD2 )) 2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.26320E-02 ppm1 6.351 ppm2 6.966 CV 1 ASSI { 302} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 22 and name HD2 )) 3.300 1.400 1.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 6.445 ppm2 6.966 CV 1 ASSI { 303} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 6 and name HB1 )) 4.600 2.700 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.67400E-03 ppm1 6.445 ppm2 2.721 CV 1 ASSI { 304} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 19 and name HA )) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.41410E-03 ppm1 6.348 ppm2 4.097 CV 1 ASSI { 305} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 7.268 ppm2 3.668 CV 1 ASSI { 306} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 15 and name HA )) 3.300 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.81740E-03 ppm1 6.984 ppm2 3.673 CV 1 ASSI { 307} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG2 )) 3.500 1.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.13398E-02 ppm1 9.230 ppm2 1.356 CV 1 ASSI { 308} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG1 )) 4.400 2.400 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.40464E-03 ppm1 9.233 ppm2 1.247 CV 1 ASSI { 309} (( segid " " and resid 8 and name HN )) ( segid " " and resid 23 and name HG1%) 5.200 3.300 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.10117E-03 ppm1 9.233 ppm2 1.176 CV 1 ASSI { 310} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB2 )) 4.100 2.100 1.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.31276E-03 ppm1 8.652 ppm2 2.712 CV 1 OR { 310} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB1 )) ASSI { 311} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.90477E-03 ppm1 8.304 ppm2 4.275 CV 1 ASSI { 312} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.000 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.29882E-02 ppm1 8.265 ppm2 4.335 CV 1 ASSI { 313} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) 3.900 1.900 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.55693E-03 ppm1 7.023 ppm2 3.624 CV 1 ASSI { 314} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.28810E-03 ppm1 7.024 ppm2 4.092 CV 1 ASSI { 315} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.40435E-03 ppm1 6.945 ppm2 3.668 CV 1 ASSI { 316} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.900 1.900 1.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.45961E-03 ppm1 6.951 ppm2 4.418 CV 1 ASSI { 317} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 6.000 5.000 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.65019E-04 ppm1 6.948 ppm2 4.330 CV 1 ASSI { 318} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 26 and name HA )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.44068E-03 ppm1 7.539 ppm2 3.779 CV 1 ASSI { 319} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 22 and name HB2 )) 5.300 3.500 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.18383E-03 ppm1 7.542 ppm2 3.638 CV 1 ASSI { 320} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 22 and name HA )) 5.000 3.100 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.26053E-03 ppm1 7.542 ppm2 4.109 CV 1 ASSI { 321} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 23 and name HA )) 2.300 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.85809E-02 ppm1 6.968 ppm2 3.634 CV 1 ASSI { 322} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HA )) 3.700 1.700 1.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 6.968 ppm2 4.095 CV 1 ASSI { 323} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 6 and name HA )) 3.900 1.900 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.61429E-03 ppm1 6.967 ppm2 4.518 CV 1 ASSI { 324} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 4 and name HA )) 4.200 2.200 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.44167E-03 ppm1 7.268 ppm2 4.654 CV 1 ASSI { 325} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.300 1.400 1.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.51201E-03 ppm1 8.301 ppm2 1.441 CV 1 ASSI { 326} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 8.255 ppm2 2.520 CV 1 ASSI { 327} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG12)) 3.500 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 8.246 ppm2 1.442 CV 1 ASSI { 328} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 4.000 2.000 2.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.24949E-03 ppm1 8.247 ppm2 2.031 CV 1 ASSI { 329} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.24809E-02 ppm1 8.232 ppm2 1.909 CV 1 OR { 329} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 330} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 8.232 ppm2 2.705 CV 1 OR { 330} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB1 )) ASSI { 331} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.36399E-03 ppm1 7.986 ppm2 1.911 CV 1 ASSI { 332} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB )) 3.600 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.98420E-03 ppm1 7.870 ppm2 1.974 CV 1 ASSI { 333} (( segid " " and resid 5 and name HN )) ( segid " " and resid 19 and name HD2%) 4.700 2.700 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.29909E-03 ppm1 7.846 ppm2 0.972 CV 1 ASSI { 334} (( segid " " and resid 5 and name HN )) (( segid " " and resid 19 and name HB1 )) 5.800 4.300 0.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.20422E-03 ppm1 7.845 ppm2 1.445 CV 1 ASSI { 335} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.400 3.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15322E-03 ppm1 7.637 ppm2 1.927 CV 1 ASSI { 336} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB )) 3.200 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.90180E-03 ppm1 7.399 ppm2 2.246 CV 1 ASSI { 337} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB )) 2.700 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.28638E-02 ppm1 6.951 ppm2 3.944 CV 1 ASSI { 338} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD2 )) 3.500 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.45155E-03 ppm1 6.946 ppm2 3.716 CV 1 ASSI { 339} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG1 )) 2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22845E-02 ppm1 6.951 ppm2 1.966 CV 1 OR { 339} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG2 )) ASSI { 340} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 4.500 2.500 1.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.56201E-03 ppm1 6.947 ppm2 2.078 CV 1 ASSI { 341} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.600 1.600 1.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.64912E-03 ppm1 6.952 ppm2 2.236 CV 1 ASSI { 342} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.400 1.500 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.83215E-03 ppm1 6.944 ppm2 2.757 CV 1 OR { 342} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 344} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 4.600 2.700 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.33244E-03 ppm1 8.800 ppm2 7.644 CV 1 ASSI { 345} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 4 and name HN )) 4.200 2.200 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.50920E-03 ppm1 7.262 ppm2 8.158 CV 1 ASSI { 346} (( segid " " and resid 15 and name HN )) (( segid " " and resid 19 and name HN )) 3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.47000E-03 ppm1 6.951 ppm2 7.796 CV 1 ASSI { 347} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 22 and name HE1 )) 3.400 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.87628E-03 ppm1 6.349 ppm2 7.539 CV 1 ASSI { 349} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 22 and name HE1 )) 5.000 3.200 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10836E-03 ppm1 6.439 ppm2 7.534 CV 1 ASSI { 350} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HE1 )) 4.200 2.200 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.31369E-03 ppm1 6.963 ppm2 7.535 CV 1 ASSI { 351} ( segid " " and resid 11 and name HD% ) (( segid " " and resid 22 and name HN )) 5.200 3.400 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.16344E-03 ppm1 6.349 ppm2 7.894 CV 1 ASSI { 352} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 22 and name HN )) 4.600 2.600 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.28214E-03 ppm1 6.445 ppm2 7.913 CV 1 ASSI { 353} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.16538E-03 ppm1 7.543 ppm2 3.275 CV 1 ASSI { 354} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 7.542 ppm2 3.097 CV 1 ASSI { 355} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 9 and name HB1 )) 3.900 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.17046E-03 ppm1 7.543 ppm2 2.390 CV 1 ASSI { 356} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 11 and name HB1 )) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16979E-02 ppm1 7.541 ppm2 1.923 CV 1 ASSI { 357} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 26 and name HB1 )) 3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 7.542 ppm2 2.034 CV 1 ASSI { 358} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 26 and name HB2 )) 4.100 2.100 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 7.541 ppm2 2.513 CV 1 ASSI { 359} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 6 and name HB2 )) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.20046E-02 ppm1 6.966 ppm2 3.271 CV 1 ASSI { 360} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HB1 )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 6.966 ppm2 3.079 CV 1 ASSI { 361} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 6 and name HB1 )) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.67874E-02 ppm1 6.966 ppm2 2.717 CV 1 ASSI { 362} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 23 and name HB )) 4.300 2.300 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.71410E-03 ppm1 6.967 ppm2 2.247 CV 1 ASSI { 363} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 23 and name HG2%) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.36666E-02 ppm1 6.968 ppm2 1.352 CV 1 ASSI { 364} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 23 and name HG1%) 3.200 1.300 1.300 peak 364 spectrum 1 weight 0.10000E+01 volume 0.35107E-02 ppm1 6.968 ppm2 1.173 CV 1 ASSI { 365} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 26 and name HB2 )) 3.100 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12600E-02 ppm1 6.967 ppm2 2.515 CV 1 ASSI { 366} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 26 and name HB1 )) 3.800 1.800 1.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 6.967 ppm2 2.023 CV 1 ASSI { 367} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 19 and name HD1%) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.35252E-02 ppm1 6.968 ppm2 0.870 CV 1 ASSI { 368} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 19 and name HG )) 4.500 2.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.29254E-03 ppm1 6.965 ppm2 1.702 CV 1 ASSI { 369} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 15 and name HB2 )) 4.100 2.100 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.59990E-03 ppm1 7.262 ppm2 2.722 CV 1 OR { 369} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 15 and name HB1 )) ASSI { 370} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 14 and name HA )) 3.700 1.700 1.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.43175E-03 ppm1 6.979 ppm2 4.418 CV 1 ASSI { 371} ( segid " " and resid 4 and name HE% ) ( segid " " and resid 19 and name HD2%) 4.400 2.400 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.29762E-03 ppm1 7.268 ppm2 0.984 CV 1 ASSI { 372} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 6 and name HB2 )) 4.900 3.000 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.18348E-03 ppm1 6.446 ppm2 3.276 CV 1 ASSI { 373} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 13 and name HA )) 2.400 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.38400E-02 ppm1 3.642 ppm2 4.343 CV 1 ASSI { 376} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HD2 )) 2.400 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.59848E-02 ppm1 4.352 ppm2 3.720 CV 1 ASSI { 378} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.200 0.600 0.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.89772E-02 ppm1 4.109 ppm2 3.639 CV 1 ASSI { 381} (( segid " " and resid 18 and name HB )) (( segid " " and resid 22 and name HB2 )) 2.700 2.700 3.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.44157E-02 ppm1 3.934 ppm2 3.636 CV 1 ASSI { 382} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HA )) 3.700 1.700 1.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.16841E-02 ppm1 1.957 ppm2 4.415 CV 1 OR { 382} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HA )) ASSI { 383} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HA )) 2.900 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 2.087 ppm2 4.418 CV 1 ASSI { 388} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HD1 )) 2.600 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.40648E-02 ppm1 2.087 ppm2 3.636 CV 1 ASSI { 389} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HD2 )) 3.100 1.200 1.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.45563E-02 ppm1 2.086 ppm2 3.721 CV 1 ASSI { 391} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.34006E-02 ppm1 1.883 ppm2 3.746 CV 1 ASSI { 392} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 5 and name HA )) 3.200 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 0.870 ppm2 5.153 CV 1 ASSI { 394} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 6 and name HA )) 3.900 1.900 1.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.61957E-03 ppm1 0.981 ppm2 4.525 CV 1 ASSI { 395} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 18 and name HB )) 2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31569E-02 ppm1 1.448 ppm2 3.946 CV 1 ASSI { 396} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 14 and name HD1 )) 2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.59522E-02 ppm1 1.409 ppm2 3.635 CV 1 ASSI { 397} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 14 and name HD2 )) 3.000 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12176E-02 ppm1 1.410 ppm2 3.722 CV 1 ASSI { 398} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.70658E-03 ppm1 1.182 ppm2 4.019 CV 1 ASSI { 400} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.39734E-03 ppm1 4.163 ppm2 2.743 CV 1 ASSI { 401} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG1 )) 3.200 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.30207E-02 ppm1 4.161 ppm2 2.619 CV 1 ASSI { 402} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) 2.800 1.000 1.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.32087E-02 ppm1 4.027 ppm2 2.476 CV 1 OR { 402} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) ASSI { 405} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 6 and name HB1 )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.17309E-02 ppm1 1.929 ppm2 2.709 CV 1 ASSI { 407} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HE1 )) 3.600 1.600 1.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.72583E-03 ppm1 1.359 ppm2 2.920 CV 1 ASSI { 408} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HE2 )) 3.900 1.900 1.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.44740E-03 ppm1 1.363 ppm2 3.014 CV 1 ASSI { 409} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 6 and name HB1 )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19138E-02 ppm1 0.875 ppm2 2.721 CV 1 ASSI { 410} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 17 and name HB1 )) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.15845E-02 ppm1 0.820 ppm2 2.538 CV 1 ASSI { 411} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.69532E-02 ppm1 4.263 ppm2 1.839 CV 1 ASSI { 415} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HD2%) 3.900 1.900 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 4.111 ppm2 0.984 CV 1 ASSI { 417} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HG12)) 4.300 2.300 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.52935E-03 ppm1 3.916 ppm2 1.689 CV 1 ASSI { 418} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HG11)) 3.600 1.600 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.49816E-03 ppm1 3.913 ppm2 1.189 CV 1 ASSI { 419} (( segid " " and resid 18 and name HA )) ( segid " " and resid 21 and name HG2%) 4.300 2.300 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.73963E-03 ppm1 3.915 ppm2 0.899 CV 1 ASSI { 421} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HD1%) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.11699E-02 ppm1 3.762 ppm2 0.815 CV 1 ASSI { 423} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 22 and name HB2 )) 3.500 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.22512E-02 ppm1 0.878 ppm2 3.631 CV 1 ASSI { 424} (( segid " " and resid 18 and name HB )) (( segid " " and resid 21 and name HG11)) 5.300 3.400 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.14948E-03 ppm1 3.953 ppm2 1.191 CV 1 ASSI { 427} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HG )) 3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 4.028 ppm2 1.700 CV 1 ASSI { 428} (( segid " " and resid 20 and name HA )) ( segid " " and resid 19 and name HD1%) 3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.17666E-02 ppm1 4.026 ppm2 0.863 CV 1 ASSI { 429} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG11)) 2.800 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.41084E-02 ppm1 4.152 ppm2 1.137 CV 1 ASSI { 430} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 19 and name HD1%) 3.100 1.200 1.200 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10686E-02 ppm1 3.283 ppm2 0.868 CV 1 ASSI { 432} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 19 and name HD1%) 3.900 1.900 1.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.43659E-03 ppm1 2.974 ppm2 0.869 CV 1 OR { 432} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 19 and name HD1%) ASSI { 434} (( segid " " and resid 8 and name HE1 )) (( segid " " and resid 8 and name HG1 )) 3.600 1.700 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.44530E-03 ppm1 2.921 ppm2 1.249 CV 1 ASSI { 435} (( segid " " and resid 8 and name HE2 )) (( segid " " and resid 8 and name HG1 )) 4.400 2.400 1.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.27940E-03 ppm1 3.017 ppm2 1.251 CV 1 ASSI { 438} (( segid " " and resid 8 and name HE2 )) (( segid " " and resid 8 and name HD1 )) 3.000 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13514E-02 ppm1 3.015 ppm2 1.641 CV 1 ASSI { 439} (( segid " " and resid 24 and name HG1 )) ( segid " " and resid 23 and name HG1%) 5.200 3.400 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.13669E-03 ppm1 2.629 ppm2 1.171 CV 1 ASSI { 440} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 23 and name HG1%) 4.200 2.200 1.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.30388E-03 ppm1 2.738 ppm2 1.169 CV 1 ASSI { 441} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 23 and name HG2%) 3.700 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.23991E-03 ppm1 2.736 ppm2 1.356 CV 1 ASSI { 442} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG2 )) 2.600 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.49080E-02 ppm1 1.980 ppm2 1.361 CV 1 ASSI { 443} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG2 )) 2.300 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.64912E-02 ppm1 1.915 ppm2 1.360 CV 1 ASSI { 444} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG1 )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.31922E-02 ppm1 1.922 ppm2 1.241 CV 1 ASSI { 449} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HD1%) 2.600 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.50447E-02 ppm1 1.899 ppm2 0.820 CV 1 ASSI { 451} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HD2 )) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.50389E-02 ppm1 1.349 ppm2 1.821 CV 1 ASSI { 453} (( segid " " and resid 8 and name HD2 )) (( segid " " and resid 8 and name HG1 )) 2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.16767E-02 ppm1 1.833 ppm2 1.251 CV 1 ASSI { 456} (( segid " " and resid 8 and name HD1 )) (( segid " " and resid 8 and name HG1 )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.29249E-02 ppm1 1.653 ppm2 1.253 CV 1 ASSI { 457} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB1 )) 2.400 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.44336E-02 ppm1 0.981 ppm2 1.450 CV 1 ASSI { 458} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 19 and name HD2%) 2.900 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.93000E-03 ppm1 1.354 ppm2 0.979 CV 1 ASSI { 460} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HG12)) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.27708E-02 ppm1 0.901 ppm2 1.689 CV 1 ASSI { 461} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HG12)) 2.300 0.700 0.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.60754E-02 ppm1 0.810 ppm2 1.682 CV 1 ASSI { 462} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 19 and name HD1%) 2.900 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.63574E-02 ppm1 1.459 ppm2 0.866 CV 1 ASSI { 463} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 19 and name HD1%) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 1.355 ppm2 0.873 CV 1 ASSI { 464} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 6 and name HA )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.39806E-02 ppm1 4.212 ppm2 4.515 CV 1 ASSI { 465} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 6 and name HA )) 2.200 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.57198E-02 ppm1 4.073 ppm2 4.513 CV 1 ASSI { 466} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HD2 )) 1.800 0.400 0.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10947E-01 ppm1 4.073 ppm2 4.209 CV 1 ASSI { 468} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 4.700 2.700 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17122E-03 ppm1 9.238 ppm2 2.369 CV 1 ASSI { 469} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.400 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.73838E-03 ppm1 9.233 ppm2 4.482 CV 1 ASSI { 470} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD1 )) 4.100 2.100 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.50149E-03 ppm1 9.233 ppm2 4.061 CV 1 ASSI { 471} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.45391E-02 ppm1 2.370 ppm2 4.482 CV 1 ASSI { 472} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.000 1.200 1.200 peak 472 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 2.119 ppm2 4.483 CV 1 ASSI { 473} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.19681E-02 ppm1 1.998 ppm2 4.479 CV 1 OR { 473} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HA )) ASSI { 474} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HD2 )) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.37251E-02 ppm1 2.116 ppm2 4.212 CV 1 ASSI { 476} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD1 )) 2.700 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.24366E-02 ppm1 2.029 ppm2 4.064 CV 1 OR { 476} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD1 )) ASSI { 477} (( segid " " and resid 7 and name HD2 )) ( segid " " and resid 23 and name HG2%) 2.300 0.700 0.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.43916E-02 ppm1 4.212 ppm2 1.350 CV 1 ASSI { 478} (( segid " " and resid 7 and name HD1 )) ( segid " " and resid 23 and name HG2%) 3.200 1.300 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 4.074 ppm2 1.346 CV 1 ASSI { 479} (( segid " " and resid 7 and name HD1 )) ( segid " " and resid 23 and name HG1%) 3.900 1.900 1.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.92698E-03 ppm1 4.078 ppm2 1.176 CV 1 ASSI { 481} (( segid " " and resid 7 and name HD2 )) ( segid " " and resid 19 and name HD2%) 4.200 2.200 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.61115E-03 ppm1 4.204 ppm2 0.976 CV 1 ASSI { 482} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HB1 )) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.53196E-02 ppm1 4.077 ppm2 2.116 CV 1 ASSI { 484} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 7 and name HD2 )) 3.400 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18625E-02 ppm1 0.886 ppm2 4.212 CV 1 ASSI { 486} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG11)) 6.000 4.500 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.73252E-04 ppm1 7.869 ppm2 1.120 CV 1 ASSI { 487} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 3.500 1.500 1.500 peak 487 spectrum 1 weight 0.10000E+01 volume 0.68549E-03 ppm1 8.140 ppm2 3.905 CV 1 ASSI { 488} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.000 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 8.139 ppm2 3.674 CV 1 ASSI { 489} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.28192E-02 ppm1 8.141 ppm2 2.705 CV 1 OR { 489} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) ASSI { 490} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 5.300 3.600 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.24155E-03 ppm1 8.137 ppm2 2.524 CV 1 OR { 490} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) ASSI { 491} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.700 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.28171E-02 ppm1 8.143 ppm2 1.909 CV 1 OR { 491} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 492} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.300 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.82155E-02 ppm1 3.911 ppm2 1.901 CV 1 OR { 492} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 493} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) 3.200 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 3.910 ppm2 2.527 CV 1 OR { 493} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) ASSI { 494} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.800 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.33678E-02 ppm1 3.910 ppm2 2.236 CV 1 ASSI { 495} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HD2%) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.71025E-03 ppm1 3.909 ppm2 0.981 CV 1 ASSI { 499} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 19 and name HB2 )) 3.700 1.700 1.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18712E-02 ppm1 1.919 ppm2 2.239 CV 1 OR { 499} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 19 and name HB2 )) ASSI { 500} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) 2.400 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.67726E-02 ppm1 1.923 ppm2 2.527 CV 1 OR { 500} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG1 )) OR { 500} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) OR { 500} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG1 )) ASSI { 502} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 16 and name HG1 )) 2.900 1.000 1.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 0.983 ppm2 2.523 CV 1 ASSI { 503} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 16 and name HA )) 3.000 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 6.983 ppm2 3.906 CV 1 ASSI { 504} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 16 and name HA )) 4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.32070E-03 ppm1 7.268 ppm2 3.902 CV 1 ASSI { 505} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 16 and name HG1 )) 3.400 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.14906E-02 ppm1 7.264 ppm2 2.529 CV 1 OR { 505} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 16 and name HG2 )) ASSI { 506} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 16 and name HB2 )) 2.600 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.32272E-02 ppm1 7.264 ppm2 1.907 CV 1 OR { 506} ( segid " " and resid 4 and name HE% ) (( segid " " and resid 16 and name HB1 )) ASSI { 507} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 16 and name HB2 )) 3.600 1.600 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.86467E-03 ppm1 6.983 ppm2 1.905 CV 1 OR { 507} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 16 and name HB1 )) ASSI { 508} ( segid " " and resid 4 and name HD% ) ( segid " " and resid 16 and name HE% ) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.50996E-03 ppm1 6.980 ppm2 2.117 CV 1 ASSI { 509} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 16 and name HG1 )) 3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.72808E-03 ppm1 6.985 ppm2 2.517 CV 1 OR { 509} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 16 and name HG2 )) ASSI { 510} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 19 and name HB2 )) 3.600 1.600 1.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.63076E-03 ppm1 6.982 ppm2 2.242 CV 1 ASSI { 511} ( segid " " and resid 4 and name HD% ) (( segid " " and resid 19 and name HB1 )) 4.000 2.000 2.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.55378E-03 ppm1 6.983 ppm2 1.443 CV 1 ASSI { 513} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB )) 2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.30360E-02 ppm1 4.025 ppm2 2.252 CV 1 ASSI { 514} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 2.151 ppm2 3.750 CV 1 OR { 514} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 21 and name HA )) ASSI { 516} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 4.091 ppm2 1.935 CV 1 ASSI { 517} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB1 )) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.20270E-02 ppm1 4.092 ppm2 1.836 CV 1 ASSI { 518} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 23 and name HA )) 2.400 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.45323E-02 ppm1 2.017 ppm2 3.632 CV 1 ASSI { 520} (( segid " " and resid 5 and name HA )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.24208E-02 ppm1 5.157 ppm2 4.371 CV 1 ASSI ( segid " " and resid 6 and name SG ) ( segid " " and resid 9 and name SG ) 3.7 0.02 0.02 ASSI ( segid " " and resid 6 and name SG ) ( segid " " and resid 26 and name SG ) 3.7 0.02 0.02 ASSI ( segid " " and resid 6 and name SG ) ( segid " " and resid 22 and name NE2) 3.5 0.02 0.02 ASSI ( segid " " and resid 9 and name SG ) ( segid " " and resid 26 and name SG ) 3.7 0.02 0.02 ASSI ( segid " " and resid 9 and name SG ) ( segid " " and resid 22 and name NE2) 3.5 0.02 0.02 ASSI ( segid " " and resid 26 and name SG ) ( segid " " and resid 22 and name NE2) 3.5 0.02 0.02 ASSI ( segid " " and resid 9 and name SG ) ( segid " " and resid 6 and name ZN ) 2.3 0.02 0.02 ASSI ( segid " " and resid 26 and name SG ) ( segid " " and resid 6 and name ZN ) 2.3 0.02 0.02 ASSI ( segid " " and resid 22 and name NE2) ( segid " " and resid 6 and name ZN ) 2.0 0.02 0.02 ! ambiguous NOEs ASSI { 8} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.400 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.95748E-03 ppm1 9.196 ppm2 4.100 CV 1 OR { 8} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 9} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.49126E-02 ppm1 9.194 ppm2 3.629 CV 1 OR { 9} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 26} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.26450E-02 ppm1 8.309 ppm2 2.222 CV 1 OR { 26} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 53} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.29170E-02 ppm1 7.871 ppm2 4.144 CV 1 OR { 53} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 72} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.62916E-02 ppm1 7.027 ppm2 2.150 CV 1 OR { 72} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) OR { 72} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG2 )) ASSI { 111} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HN )) 3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.51411E-03 ppm1 7.990 ppm2 9.221 CV 1 OR { 111} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HN )) ASSI { 132} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.200 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.29527E-02 ppm1 8.264 ppm2 3.275 CV 1 OR { 132} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 141} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 7.990 ppm2 2.381 CV 1 OR { 141} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) ASSI { 176} (( segid " " and resid 14 and name HD1 )) ( segid " " and resid 13 and name HB% ) 2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.64829E-02 ppm1 3.646 ppm2 1.411 CV 1 OR { 176} (( segid " " and resid 14 and name HD1 )) ( segid " " and resid 18 and name HG2%) ASSI { 180} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) 2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.81811E-02 ppm1 3.637 ppm2 2.245 CV 1 OR { 180} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 14 and name HB2 )) ASSI { 186} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.100 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.98822E-02 ppm1 4.110 ppm2 2.237 CV 1 OR { 186} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) ASSI { 294} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 22 and name HB2 )) 2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.44186E-02 ppm1 6.447 ppm2 3.082 CV 1 OR { 294} ( segid " " and resid 11 and name HE% ) (( segid " " and resid 11 and name HB2 )) ASSI { 379} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HA )) 4.600 2.600 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.54863E-03 ppm1 3.281 ppm2 4.074 CV 1 OR { 379} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 10 and name HA )) ASSI { 420} (( segid " " and resid 14 and name HD2 )) ( segid " " and resid 13 and name HB% ) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.36898E-02 ppm1 3.726 ppm2 1.415 CV 1 OR { 420} (( segid " " and resid 14 and name HD2 )) ( segid " " and resid 18 and name HG2%)
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