NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
520182 | 2ldf | 17662 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB2 )) 2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.27774E-02 ppm1 8.891 ppm2 3.776 CV 1 OR { 1} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB1 )) ASSI { 2} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.200 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11766E-01 ppm1 8.891 ppm2 4.319 CV 1 ASSI { 3} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB1 )) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.32626E-02 ppm1 8.890 ppm2 3.272 CV 1 ASSI { 4} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB2 )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.46536E-02 ppm1 8.891 ppm2 3.318 CV 1 ASSI { 6} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.35225E-02 ppm1 8.399 ppm2 4.800 CV 1 ASSI { 7} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB1 )) 2.500 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.61383E-02 ppm1 8.397 ppm2 2.767 CV 1 ASSI { 8} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.000 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 8.399 ppm2 3.169 CV 1 ASSI { 9} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB1 )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.36584E-02 ppm1 8.401 ppm2 3.773 CV 1 OR { 9} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB2 )) ASSI { 10} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) 3.500 1.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 8.399 ppm2 8.884 CV 1 ASSI { 11} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.500 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.15070E-02 ppm1 8.397 ppm2 8.723 CV 1 ASSI { 12} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.38978E-02 ppm1 8.728 ppm2 4.587 CV 1 ASSI { 13} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.71662E-02 ppm1 8.728 ppm2 2.763 CV 1 OR { 13} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 14} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HD21)) 4.300 2.300 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.24331E-03 ppm1 8.736 ppm2 6.875 CV 1 ASSI { 15} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HD22)) 4.900 3.000 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.19088E-03 ppm1 8.725 ppm2 7.571 CV 1 ASSI { 16} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HA )) 3.700 3.700 2.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.29020E-03 ppm1 8.731 ppm2 4.656 CV 1 ASSI { 17} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.200 0.600 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 8.729 ppm2 4.798 CV 1 ASSI { 18} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 8.729 ppm2 3.167 CV 1 ASSI { 21} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.000 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 8.162 ppm2 4.147 CV 1 ASSI { 22} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB )) 2.800 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.51325E-02 ppm1 8.162 ppm2 1.896 CV 1 ASSI { 23} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG12)) 2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.22604E-02 ppm1 8.163 ppm2 1.325 CV 1 ASSI { 24} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG11)) 2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.45777E-02 ppm1 8.163 ppm2 1.170 CV 1 ASSI { 25} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HG2%) 2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.48063E-02 ppm1 8.163 ppm2 0.881 CV 1 ASSI { 26} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD1%) 4.400 2.400 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.70734E-03 ppm1 8.160 ppm2 0.806 CV 1 ASSI { 27} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.46491E-02 ppm1 8.095 ppm2 4.655 CV 1 ASSI { 28} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.39124E-02 ppm1 8.093 ppm2 2.846 CV 1 ASSI { 29} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD21)) 3.500 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.60603E-03 ppm1 8.095 ppm2 6.917 CV 1 ASSI { 30} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD22)) 3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.86313E-03 ppm1 8.094 ppm2 7.621 CV 1 ASSI { 31} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.39169E-02 ppm1 8.093 ppm2 4.147 CV 1 ASSI { 34} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.53868E-02 ppm1 8.265 ppm2 4.153 CV 1 ASSI { 35} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.100 0.500 0.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13201E-01 ppm1 8.265 ppm2 2.089 CV 1 OR { 35} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) ASSI { 36} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 8.265 ppm2 2.446 CV 1 OR { 36} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG1 )) ASSI { 37} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 8.262 ppm2 3.135 CV 1 ASSI { 38} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.36731E-02 ppm1 8.267 ppm2 7.698 CV 1 ASSI { 39} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.39364E-02 ppm1 7.703 ppm2 4.257 CV 1 ASSI { 40} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.300 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.82555E-02 ppm1 7.703 ppm2 3.070 CV 1 ASSI { 41} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.200 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10535E-01 ppm1 7.703 ppm2 3.145 CV 1 ASSI { 42} (( segid " " and resid 11 and name HN )) (( segid " " and resid 3 and name HB1 )) 4.500 2.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.34211E-03 ppm1 7.701 ppm2 2.769 CV 1 ASSI { 43} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 7.702 ppm2 4.152 CV 1 ASSI { 44} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.600 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.89424E-03 ppm1 7.702 ppm2 2.450 CV 1 OR { 44} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG1 )) ASSI { 45} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.30297E-02 ppm1 7.702 ppm2 2.091 CV 1 OR { 45} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) ASSI { 47} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29257E-02 ppm1 7.702 ppm2 8.129 CV 1 ASSI { 49} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.300 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.66482E-02 ppm1 8.133 ppm2 4.137 CV 1 ASSI { 50} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) 2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.44543E-02 ppm1 8.133 ppm2 1.895 CV 1 ASSI { 51} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.34977E-02 ppm1 8.133 ppm2 2.000 CV 1 ASSI { 52} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.200 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.80981E-02 ppm1 8.133 ppm2 2.472 CV 1 OR { 52} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 53} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.36263E-02 ppm1 8.133 ppm2 3.072 CV 1 ASSI { 54} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 8.131 ppm2 3.151 CV 1 ASSI { 57} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.300 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.59656E-02 ppm1 7.819 ppm2 4.250 CV 1 ASSI { 58} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 1.900 0.500 0.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.16206E-01 ppm1 7.820 ppm2 2.927 CV 1 OR { 58} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 60} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB1 )) 4.500 2.600 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.27986E-03 ppm1 7.818 ppm2 2.092 CV 1 OR { 60} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB2 )) ASSI { 61} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.20515E-02 ppm1 7.819 ppm2 4.136 CV 1 ASSI { 62} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.600 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.22614E-02 ppm1 7.820 ppm2 1.899 CV 1 ASSI { 63} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 7.819 ppm2 2.470 CV 1 OR { 63} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 64} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.600 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.38805E-02 ppm1 7.819 ppm2 8.129 CV 1 ASSI { 65} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.800 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.15825E-02 ppm1 7.820 ppm2 7.973 CV 1 ASSI { 66} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) 3.500 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.69553E-03 ppm1 7.826 ppm2 8.298 CV 1 ASSI { 67} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 15 and name HN )) 4.500 2.600 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.17149E-03 ppm1 6.780 ppm2 8.288 CV 1 ASSI { 69} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 14 and name HN )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 6.781 ppm2 7.974 CV 1 ASSI { 70} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 6.779 ppm2 7.816 CV 1 ASSI { 71} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 14 and name HN )) 3.700 3.700 2.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27080E-03 ppm1 6.688 ppm2 7.969 CV 1 ASSI { 73} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.300 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.66947E-02 ppm1 7.973 ppm2 4.265 CV 1 ASSI { 74} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.000 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.46706E-02 ppm1 7.975 ppm2 3.177 CV 1 ASSI { 75} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.300 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.55724E-02 ppm1 7.975 ppm2 3.089 CV 1 ASSI { 77} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 3.600 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.96991E-03 ppm1 7.974 ppm2 4.145 CV 1 ASSI { 78} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.76620E-02 ppm1 7.974 ppm2 2.920 CV 1 OR { 78} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 81} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.59109E-02 ppm1 7.975 ppm2 8.303 CV 1 ASSI { 82} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 3.300 1.300 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.13431E-02 ppm1 7.976 ppm2 8.121 CV 1 ASSI { 83} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.58114E-03 ppm1 7.976 ppm2 7.710 CV 1 ASSI { 84} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.94476E-03 ppm1 7.296 ppm2 8.301 CV 1 ASSI { 85} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 14 and name HN )) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 7.293 ppm2 7.974 CV 1 ASSI { 86} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.62644E-03 ppm1 7.291 ppm2 7.815 CV 1 ASSI { 87} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.59904E-03 ppm1 7.297 ppm2 7.699 CV 1 ASSI { 89} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 14 and name HN )) 3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.88593E-03 ppm1 7.369 ppm2 7.985 CV 1 ASSI { 90} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.59893E-03 ppm1 7.376 ppm2 7.702 CV 1 ASSI { 91} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51380E-03 ppm1 7.381 ppm2 8.295 CV 1 ASSI { 93} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.71890E-02 ppm1 8.308 ppm2 2.951 CV 1 ASSI { 94} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.84724E-02 ppm1 8.308 ppm2 3.184 CV 1 ASSI { 95} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 8.305 ppm2 4.128 CV 1 ASSI { 96} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.300 3.300 2.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.53167E-03 ppm1 8.302 ppm2 2.462 CV 1 ASSI { 97} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.600 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 8.307 ppm2 4.267 CV 1 ASSI { 98} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 8.308 ppm2 3.090 CV 1 ASSI { 101} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.200 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.78621E-02 ppm1 8.017 ppm2 3.190 CV 1 ASSI { 102} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.37977E-02 ppm1 8.017 ppm2 3.256 CV 1 ASSI { 104} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) 4.200 2.200 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.31657E-03 ppm1 8.013 ppm2 4.262 CV 1 ASSI { 105} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.700 2.700 3.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 8.018 ppm2 2.948 CV 1 ASSI { 106} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.500 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.20403E-02 ppm1 8.013 ppm2 1.892 CV 1 ASSI { 107} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG2 )) 5.400 3.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.24236E-03 ppm1 8.018 ppm2 2.198 CV 1 OR { 107} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 108} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.29858E-02 ppm1 8.017 ppm2 8.303 CV 1 ASSI { 109} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.37326E-02 ppm1 8.017 ppm2 8.125 CV 1 ASSI { 110} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 13 and name HN )) 3.300 3.300 2.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.51708E-03 ppm1 7.159 ppm2 7.825 CV 1 ASSI { 111} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 15 and name HN )) 4.500 2.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.21359E-03 ppm1 7.173 ppm2 8.303 CV 1 ASSI { 112} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 7.170 ppm2 8.016 CV 1 ASSI { 113} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 17 and name HN )) 4.100 2.100 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.48579E-03 ppm1 7.174 ppm2 8.128 CV 1 ASSI { 114} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 8.129 ppm2 4.214 CV 1 ASSI { 115} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.200 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.78922E-02 ppm1 8.129 ppm2 1.895 CV 1 ASSI { 116} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.44144E-02 ppm1 8.129 ppm2 2.015 CV 1 ASSI { 117} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.300 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.30506E-02 ppm1 8.129 ppm2 2.195 CV 1 OR { 117} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 118} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.44660E-02 ppm1 8.129 ppm2 4.561 CV 1 ASSI { 119} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.26230E-02 ppm1 8.130 ppm2 3.259 CV 1 ASSI { 122} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 2.900 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 8.300 ppm2 2.722 CV 1 ASSI { 123} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.900 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 8.301 ppm2 2.834 CV 1 ASSI { 124} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 8.301 ppm2 4.213 CV 1 ASSI { 125} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.94586E-03 ppm1 8.301 ppm2 1.895 CV 1 ASSI { 126} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 8.301 ppm2 2.013 CV 1 ASSI { 127} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.600 1.600 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.95976E-03 ppm1 8.304 ppm2 2.195 CV 1 OR { 127} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 128} (( segid " " and resid 18 and name HN )) ( segid " " and resid 19 and name HG2%) 3.800 1.800 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.50437E-03 ppm1 8.305 ppm2 0.768 CV 1 ASSI { 129} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.69401E-02 ppm1 8.302 ppm2 8.127 CV 1 ASSI { 130} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 3.300 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.20606E-02 ppm1 8.301 ppm2 7.863 CV 1 ASSI { 131} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.20845E-02 ppm1 7.859 ppm2 4.018 CV 1 ASSI { 132} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB )) 2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.44599E-02 ppm1 7.867 ppm2 1.894 CV 1 ASSI { 133} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HG1%) 3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 7.867 ppm2 0.688 CV 1 ASSI { 134} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HG2%) 2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.40421E-02 ppm1 7.867 ppm2 0.776 CV 1 ASSI { 135} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HG1 )) 4.000 2.000 2.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.18447E-03 ppm1 7.875 ppm2 2.195 CV 1 ASSI { 136} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.57728E-02 ppm1 7.870 ppm2 4.602 CV 1 ASSI { 137} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.400 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 7.872 ppm2 2.726 CV 1 ASSI { 138} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 7.873 ppm2 2.833 CV 1 ASSI { 141} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.46358E-02 ppm1 7.982 ppm2 4.070 CV 1 ASSI { 142} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB )) 2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.39182E-02 ppm1 7.982 ppm2 1.732 CV 1 ASSI { 143} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG11)) 2.500 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 7.982 ppm2 1.050 CV 1 ASSI { 144} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG12)) 3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 7.982 ppm2 1.313 CV 1 ASSI { 145} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HG2%) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.30186E-02 ppm1 7.985 ppm2 0.745 CV 1 OR { 145} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 146} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.000 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14090E-01 ppm1 7.983 ppm2 4.018 CV 1 ASSI { 147} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB )) 3.000 3.000 3.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29072E-02 ppm1 7.983 ppm2 1.895 CV 1 ASSI { 148} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HG1%) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.18533E-02 ppm1 7.984 ppm2 0.691 CV 1 ASSI { 149} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 3.100 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.29438E-02 ppm1 7.975 ppm2 7.865 CV 1 ASSI { 150} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.600 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39210E-02 ppm1 8.052 ppm2 4.610 CV 1 ASSI { 151} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.500 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22073E-02 ppm1 8.052 ppm2 3.131 CV 1 ASSI { 152} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.900 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 8.052 ppm2 3.201 CV 1 ASSI { 154} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HE3 )) 4.700 2.800 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.32423E-03 ppm1 8.050 ppm2 7.529 CV 1 ASSI { 155} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.900 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 8.053 ppm2 4.071 CV 1 ASSI { 156} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB )) 3.000 3.000 3.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.25770E-02 ppm1 8.054 ppm2 1.730 CV 1 ASSI { 157} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG11)) 4.000 2.000 2.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.32000E-03 ppm1 8.051 ppm2 1.056 CV 1 ASSI { 158} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG12)) 4.700 2.800 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.57149E-03 ppm1 8.051 ppm2 1.314 CV 1 ASSI { 159} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HD1%) 2.800 1.000 1.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.29202E-02 ppm1 8.052 ppm2 0.741 CV 1 OR { 159} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HG2%) ASSI { 160} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 7.162 ppm2 8.046 CV 1 ASSI { 161} (( segid " " and resid 21 and name HE3 )) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 7.534 ppm2 8.017 CV 1 ASSI { 162} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.15328E-02 ppm1 8.011 ppm2 2.534 CV 1 ASSI { 163} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.300 1.300 1.300 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 8.011 ppm2 2.581 CV 1 ASSI { 164} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.100 0.500 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15850E-01 ppm1 8.011 ppm2 4.607 CV 1 ASSI { 165} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 3.100 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.830 ppm2 4.463 CV 1 ASSI { 166} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) 3.000 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 7.830 ppm2 1.767 CV 1 ASSI { 167} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.30143E-02 ppm1 7.828 ppm2 1.990 CV 1 ASSI { 168} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG1 )) 4.400 2.400 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.34130E-03 ppm1 7.833 ppm2 2.359 CV 1 OR { 168} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG2 )) ASSI { 169} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.32195E-02 ppm1 7.832 ppm2 4.548 CV 1 ASSI { 170} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.58225E-03 ppm1 7.831 ppm2 2.580 CV 1 ASSI { 171} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.400 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.99675E-03 ppm1 7.829 ppm2 2.536 CV 1 ASSI { 172} ( segid " " and resid 13 and name HD% ) ( segid " " and resid 13 and name HE% ) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.13241E-01 ppm1 6.777 ppm2 6.682 CV 1 ASSI { 173} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 6.782 ppm2 4.151 CV 1 ASSI { 174} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 13 and name HA )) 2.300 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.38196E-02 ppm1 6.781 ppm2 4.253 CV 1 ASSI { 175} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 13 and name HB1 )) 1.700 0.400 0.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16747E-01 ppm1 6.783 ppm2 2.925 CV 1 OR { 175} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 13 and name HB2 )) ASSI { 176} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 10 and name HG1 )) 2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14721E-02 ppm1 6.781 ppm2 2.454 CV 1 OR { 176} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 10 and name HG2 )) ASSI { 177} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 17 and name HG1 )) 3.800 1.800 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 6.776 ppm2 2.194 CV 1 OR { 177} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 17 and name HG2 )) ASSI { 178} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 10 and name HB2 )) 3.200 3.200 2.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.69987E-03 ppm1 6.776 ppm2 2.093 CV 1 OR { 178} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 10 and name HB1 )) ASSI { 181} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 14 and name HB1 )) 2.600 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 6.778 ppm2 3.088 CV 1 ASSI { 182} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 14 and name HB2 )) 4.100 2.100 1.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.42766E-03 ppm1 6.786 ppm2 3.178 CV 1 ASSI { 184} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 10 and name HA )) 3.500 3.500 2.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.38129E-03 ppm1 6.687 ppm2 4.154 CV 1 ASSI { 185} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 13 and name HA )) 2.800 2.800 3.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.14545E-02 ppm1 6.687 ppm2 4.254 CV 1 ASSI { 186} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 13 and name HB1 )) 2.600 2.600 3.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 6.687 ppm2 2.928 CV 1 OR { 186} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 13 and name HB2 )) ASSI { 187} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 10 and name HG1 )) 3.300 3.300 2.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.51811E-03 ppm1 6.687 ppm2 2.445 CV 1 OR { 187} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 10 and name HG2 )) ASSI { 188} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 17 and name HG1 )) 3.500 3.500 2.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.37581E-03 ppm1 6.690 ppm2 2.194 CV 1 OR { 188} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 17 and name HG2 )) ASSI { 189} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 17 and name HB1 )) 4.000 2.000 2.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.18053E-03 ppm1 6.688 ppm2 1.895 CV 1 ASSI { 190} ( segid " " and resid 13 and name HE% ) ( segid " " and resid 12 and name HE% ) 3.800 1.800 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.23325E-03 ppm1 6.685 ppm2 1.962 CV 1 ASSI { 191} ( segid " " and resid 13 and name HE% ) (( segid " " and resid 14 and name HB2 )) 3.700 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.25981E-03 ppm1 6.690 ppm2 3.192 CV 1 ASSI { 192} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 14 and name HE% ) 1.400 0.200 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18944E-01 ppm1 7.293 ppm2 7.361 CV 1 ASSI { 193} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 15 and name HA )) 3.200 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.80180E-03 ppm1 7.294 ppm2 4.575 CV 1 ASSI { 195} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.83305E-03 ppm1 7.292 ppm2 4.153 CV 1 ASSI { 196} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 14 and name HB1 )) 2.100 0.500 0.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.80033E-02 ppm1 7.294 ppm2 3.090 CV 1 ASSI { 197} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 14 and name HB2 )) 1.800 0.400 0.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.88394E-02 ppm1 7.293 ppm2 3.180 CV 1 ASSI { 198} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 15 and name HB1 )) 3.200 3.200 2.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21276E-02 ppm1 7.293 ppm2 2.933 CV 1 ASSI { 199} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 3 and name HB1 )) 3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 7.295 ppm2 2.764 CV 1 ASSI { 200} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 10 and name HG2 )) 2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16120E-02 ppm1 7.294 ppm2 2.444 CV 1 OR { 200} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 10 and name HG1 )) ASSI { 201} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 17 and name HG1 )) 3.600 1.600 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.50683E-03 ppm1 7.291 ppm2 2.199 CV 1 OR { 201} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 17 and name HG2 )) ASSI { 202} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 10 and name HB1 )) 2.800 2.800 3.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.15721E-02 ppm1 7.294 ppm2 2.090 CV 1 OR { 202} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 10 and name HB2 )) ASSI { 203} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 17 and name HB1 )) 3.200 1.300 1.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.65945E-03 ppm1 7.291 ppm2 1.906 CV 1 ASSI { 204} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 12 and name HE% ) 5.400 3.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.66522E-04 ppm1 7.292 ppm2 1.953 CV 1 ASSI { 205} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 6 and name HG2%) 4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.10942E-03 ppm1 7.281 ppm2 0.871 CV 1 ASSI { 206} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 6 and name HD1%) 3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.46530E-03 ppm1 7.293 ppm2 0.805 CV 1 ASSI { 208} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.65690E-03 ppm1 7.373 ppm2 4.578 CV 1 ASSI { 209} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.17856E-02 ppm1 7.362 ppm2 4.268 CV 1 ASSI { 210} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 10 and name HA )) 3.300 3.300 2.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.60259E-03 ppm1 7.366 ppm2 4.158 CV 1 ASSI { 211} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 14 and name HB1 )) 2.800 2.800 3.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.25342E-02 ppm1 7.363 ppm2 3.089 CV 1 ASSI { 212} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 14 and name HB2 )) 2.600 2.600 3.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32472E-02 ppm1 7.363 ppm2 3.178 CV 1 ASSI { 213} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 15 and name HB1 )) 3.100 3.100 2.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.80820E-03 ppm1 7.370 ppm2 2.933 CV 1 OR { 213} (( segid " " and resid 14 and name HZ )) (( segid " " and resid 15 and name HB1 )) ASSI { 214} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 10 and name HG2 )) 2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.14341E-02 ppm1 7.369 ppm2 2.442 CV 1 ASSI { 215} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 17 and name HG1 )) 4.300 2.300 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11977E-03 ppm1 7.365 ppm2 2.198 CV 1 OR { 215} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 17 and name HG2 )) ASSI { 216} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 10 and name HB1 )) 2.800 2.800 3.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15140E-02 ppm1 7.365 ppm2 2.086 CV 1 OR { 216} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 10 and name HB2 )) ASSI { 217} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 17 and name HB1 )) 3.800 3.800 2.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.24141E-03 ppm1 7.366 ppm2 1.890 CV 1 ASSI { 218} ( segid " " and resid 14 and name HE% ) ( segid " " and resid 6 and name HG2%) 4.900 3.000 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.50762E-04 ppm1 7.369 ppm2 0.875 CV 1 ASSI { 219} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HE1 )) 5.400 3.600 0.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10652E-03 ppm1 7.185 ppm2 8.472 CV 1 ASSI { 220} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HA )) 4.200 2.200 1.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.91122E-03 ppm1 7.174 ppm2 4.560 CV 1 ASSI { 221} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 12 and name HA )) 3.700 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.85107E-03 ppm1 7.174 ppm2 4.124 CV 1 ASSI { 222} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 13 and name HA )) 3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.72481E-03 ppm1 7.174 ppm2 4.255 CV 1 ASSI { 223} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 15 and name HB1 )) 3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.70645E-03 ppm1 7.175 ppm2 2.950 CV 1 ASSI { 224} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 12 and name HG1 )) 3.500 3.500 2.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.39312E-03 ppm1 7.171 ppm2 2.466 CV 1 ASSI { 225} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 17 and name HG1 )) 5.000 3.100 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.27532E-03 ppm1 7.164 ppm2 2.194 CV 1 OR { 225} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 17 and name HG2 )) ASSI { 226} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 17 and name HB1 )) 4.100 2.100 1.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.72022E-03 ppm1 7.173 ppm2 1.895 CV 1 ASSI { 227} (( segid " " and resid 16 and name HD2 )) ( segid " " and resid 12 and name HE% ) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.84577E-03 ppm1 7.174 ppm2 1.958 CV 1 ASSI { 228} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB2 )) 3.700 1.700 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 7.175 ppm2 3.257 CV 1 ASSI { 229} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.38487E-03 ppm1 7.176 ppm2 2.014 CV 1 ASSI { 230} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HE1 )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 7.160 ppm2 10.007 CV 1 ASSI { 231} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HA )) 3.600 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11126E-02 ppm1 7.160 ppm2 4.616 CV 1 ASSI { 232} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.44698E-02 ppm1 7.162 ppm2 3.133 CV 1 ASSI { 234} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 20 and name HB )) 3.700 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.27344E-03 ppm1 7.161 ppm2 1.739 CV 1 ASSI { 235} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 20 and name HD1%) 3.200 1.300 1.300 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 7.163 ppm2 0.743 CV 1 ASSI { 236} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 19 and name HG1%) 3.300 1.400 1.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.90762E-03 ppm1 7.162 ppm2 0.690 CV 1 ASSI { 237} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 20 and name HA )) 3.500 3.500 2.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.36652E-03 ppm1 7.161 ppm2 4.072 CV 1 ASSI { 238} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 20 and name HG12)) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11498E-03 ppm1 7.161 ppm2 1.315 CV 1 ASSI { 239} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 19 and name HA )) 4.800 2.900 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15883E-03 ppm1 7.160 ppm2 4.007 CV 1 ASSI { 245} (( segid " " and resid 21 and name HE3 )) (( segid " " and resid 21 and name HA )) 3.300 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11926E-02 ppm1 7.533 ppm2 4.614 CV 1 ASSI { 246} (( segid " " and resid 21 and name HE3 )) (( segid " " and resid 21 and name HB1 )) 2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.31725E-02 ppm1 7.533 ppm2 3.134 CV 1 ASSI { 247} (( segid " " and resid 21 and name HE3 )) (( segid " " and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.26381E-02 ppm1 7.533 ppm2 3.205 CV 1 ASSI { 248} (( segid " " and resid 21 and name HE3 )) ( segid " " and resid 20 and name HD1%) 4.600 2.700 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11907E-03 ppm1 7.532 ppm2 0.756 CV 1 ASSI { 249} (( segid " " and resid 21 and name HH2 )) (( segid " " and resid 21 and name HE3 )) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13579E-02 ppm1 7.141 ppm2 7.526 CV 1 ASSI { 251} (( segid " " and resid 21 and name HH2 )) (( segid " " and resid 21 and name HZ3 )) 2.100 0.600 0.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16679E-01 ppm1 7.141 ppm2 7.048 CV 1 ASSI { 252} (( segid " " and resid 21 and name HZ2 )) (( segid " " and resid 21 and name HE3 )) 4.000 2.000 2.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.57942E-03 ppm1 7.381 ppm2 7.528 CV 1 ASSI { 253} (( segid " " and resid 21 and name HZ2 )) (( segid " " and resid 21 and name HH2 )) 2.100 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18438E-01 ppm1 7.382 ppm2 7.143 CV 1 ASSI { 254} (( segid " " and resid 21 and name HZ2 )) (( segid " " and resid 21 and name HZ3 )) 3.800 1.800 1.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 7.382 ppm2 7.052 CV 1 ASSI { 255} (( segid " " and resid 21 and name HZ2 )) (( segid " " and resid 21 and name HE1 )) 3.100 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 7.385 ppm2 10.004 CV 1 ASSI { 256} (( segid " " and resid 21 and name HZ3 )) (( segid " " and resid 21 and name HE3 )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.52228E-02 ppm1 7.058 ppm2 7.526 CV 1 ASSI { 259} (( segid " " and resid 21 and name HZ3 )) (( segid " " and resid 21 and name HB1 )) 5.100 3.200 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.26556E-03 ppm1 7.062 ppm2 3.132 CV 1 ASSI { 260} (( segid " " and resid 21 and name HZ3 )) ( segid " " and resid 20 and name HD1%) 3.600 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.33437E-03 ppm1 7.064 ppm2 0.732 CV 1 ASSI { 261} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HB2 )) 3.100 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.12266E-02 ppm1 6.876 ppm2 2.763 CV 1 OR { 261} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HB1 )) ASSI { 262} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 4 and name HB2 )) 3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.18472E-02 ppm1 7.571 ppm2 2.760 CV 1 OR { 262} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 4 and name HB1 )) ASSI { 263} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HD22)) 1.900 0.400 0.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.16718E-01 ppm1 6.877 ppm2 7.568 CV 1 ASSI { 265} (( segid " " and resid 7 and name HD22)) (( segid " " and resid 7 and name HA )) 4.700 2.700 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.37584E-03 ppm1 7.626 ppm2 4.658 CV 1 ASSI { 266} (( segid " " and resid 7 and name HD22)) (( segid " " and resid 7 and name HB1 )) 3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.21432E-02 ppm1 7.624 ppm2 2.769 CV 1 ASSI { 267} (( segid " " and resid 7 and name HD22)) (( segid " " and resid 7 and name HB2 )) 3.600 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.15649E-02 ppm1 7.624 ppm2 2.846 CV 1 ASSI { 268} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 7 and name HB1 )) 3.400 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17335E-02 ppm1 6.918 ppm2 2.769 CV 1 ASSI { 269} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 7 and name HB2 )) 2.900 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12063E-02 ppm1 6.918 ppm2 2.844 CV 1 ASSI { 270} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 10 and name HG2 )) 5.500 3.700 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11563E-03 ppm1 6.924 ppm2 2.447 CV 1 ASSI { 271} (( segid " " and resid 7 and name HD22)) (( segid " " and resid 7 and name HD21)) 1.800 0.400 0.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.15051E-01 ppm1 7.624 ppm2 6.916 CV 1 ASSI { 273} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 6 and name HG12)) 5.800 4.300 0.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.83548E-04 ppm1 6.923 ppm2 1.342 CV 1 ASSI { 274} (( segid " " and resid 7 and name HD21)) ( segid " " and resid 6 and name HG2%) 4.300 2.300 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.38240E-03 ppm1 6.921 ppm2 0.883 CV 1 ASSI { 275} (( segid " " and resid 7 and name HD22)) ( segid " " and resid 6 and name HG2%) 4.400 2.400 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25431E-03 ppm1 7.627 ppm2 0.885 CV 1 ASSI { 276} (( segid " " and resid 7 and name HD21)) ( segid " " and resid 6 and name HD1%) 4.800 2.900 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12032E-03 ppm1 6.918 ppm2 0.808 CV 1 ASSI { 277} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 11 and name HB2 )) 5.400 3.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.69108E-04 ppm1 6.918 ppm2 3.137 CV 1 ASSI { 278} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HB1 )) 5.300 3.500 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.68263E-04 ppm1 6.726 ppm2 1.902 CV 1 ASSI { 279} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HB2 )) 5.400 3.700 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.41036E-04 ppm1 6.729 ppm2 2.015 CV 1 ASSI { 280} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG2 )) 3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.62798E-03 ppm1 6.727 ppm2 2.195 CV 1 OR { 280} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG1 )) ASSI { 281} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG2 )) 3.700 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 7.249 ppm2 2.196 CV 1 OR { 281} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG1 )) ASSI { 282} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HE21)) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12316E-01 ppm1 7.248 ppm2 6.724 CV 1 ASSI { 284} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.500 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.75128E-02 ppm1 3.316 ppm2 4.318 CV 1 ASSI { 285} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 1 and name HA )) 2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.52972E-02 ppm1 3.273 ppm2 4.319 CV 1 ASSI { 288} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HA )) 3.900 1.900 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.72722E-03 ppm1 4.326 ppm2 4.657 CV 1 ASSI { 289} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HA )) 2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.67550E-02 ppm1 3.779 ppm2 4.655 CV 1 OR { 289} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HA )) ASSI { 290} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 1 and name HA )) 4.500 2.600 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31203E-03 ppm1 3.781 ppm2 4.313 CV 1 OR { 290} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 1 and name HA )) ASSI { 291} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HA )) 2.800 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.26111E-02 ppm1 2.777 ppm2 4.795 CV 1 ASSI { 292} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.63767E-02 ppm1 3.168 ppm2 4.800 CV 1 ASSI { 293} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HB2 )) 2.100 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.69707E-02 ppm1 2.776 ppm2 3.158 CV 1 ASSI { 295} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.400 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.72621E-02 ppm1 2.768 ppm2 4.589 CV 1 OR { 295} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) ASSI { 297} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.39294E-02 ppm1 2.936 ppm2 4.732 CV 1 ASSI { 298} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.23639E-02 ppm1 2.780 ppm2 4.734 CV 1 ASSI { 299} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 2.100 0.500 0.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.98454E-02 ppm1 2.935 ppm2 2.765 CV 1 ASSI { 302} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HG2%) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.61721E-02 ppm1 4.152 ppm2 0.880 CV 1 ASSI { 303} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG12)) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 4.152 ppm2 1.324 CV 1 ASSI { 304} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG11)) 3.400 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 4.153 ppm2 1.176 CV 1 ASSI { 305} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HD1%) 3.500 1.500 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 4.152 ppm2 0.804 CV 1 ASSI { 309} (( segid " " and resid 6 and name HG11)) (( segid " " and resid 6 and name HB )) 2.300 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.52175E-02 ppm1 1.174 ppm2 1.896 CV 1 ASSI { 310} (( segid " " and resid 6 and name HG11)) (( segid " " and resid 6 and name HG12)) 1.800 0.400 0.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.13213E-01 ppm1 1.187 ppm2 1.325 CV 1 ASSI { 311} (( segid " " and resid 6 and name HG11)) ( segid " " and resid 6 and name HG2%) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.76871E-02 ppm1 1.181 ppm2 0.880 CV 1 ASSI { 312} (( segid " " and resid 6 and name HG11)) ( segid " " and resid 6 and name HD1%) 2.000 0.500 0.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.93233E-02 ppm1 1.168 ppm2 0.806 CV 1 ASSI { 314} (( segid " " and resid 6 and name HG12)) (( segid " " and resid 6 and name HB )) 2.600 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.50807E-02 ppm1 1.330 ppm2 1.895 CV 1 ASSI { 316} (( segid " " and resid 6 and name HG12)) ( segid " " and resid 6 and name HG2%) 2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.25339E-02 ppm1 1.332 ppm2 0.880 CV 1 ASSI { 318} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.63139E-02 ppm1 0.884 ppm2 1.897 CV 1 ASSI { 321} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HB )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 0.805 ppm2 1.894 CV 1 ASSI { 322} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HG12)) 2.000 0.500 0.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10561E-01 ppm1 0.803 ppm2 1.324 CV 1 ASSI { 324} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HA )) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.68892E-03 ppm1 4.156 ppm2 4.653 CV 1 ASSI { 325} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 3 and name HB1 )) 3.900 1.900 1.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.11535E-02 ppm1 0.885 ppm2 2.768 CV 1 ASSI { 327} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 11 and name HA )) 5.000 3.100 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.39191E-03 ppm1 0.876 ppm2 4.257 CV 1 ASSI { 329} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 7 and name HA )) 4.200 2.200 1.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.44808E-03 ppm1 0.811 ppm2 4.654 CV 1 ASSI { 330} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 3 and name HB1 )) 3.500 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.81856E-03 ppm1 0.801 ppm2 2.765 CV 1 ASSI { 333} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 11 and name HB1 )) 4.500 2.600 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42632E-03 ppm1 0.811 ppm2 3.073 CV 1 ASSI { 336} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.58220E-02 ppm1 2.843 ppm2 4.655 CV 1 ASSI { 337} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HB2 )) 1.900 0.500 0.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.12327E-01 ppm1 2.777 ppm2 2.842 CV 1 ASSI { 338} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.44370E-02 ppm1 2.731 ppm2 4.639 CV 1 ASSI { 339} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.34677E-02 ppm1 3.099 ppm2 4.649 CV 1 ASSI { 340} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HB2 )) 2.100 0.500 0.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.93667E-02 ppm1 2.770 ppm2 3.107 CV 1 ASSI { 342} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.200 0.600 0.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12763E-01 ppm1 3.939 ppm2 1.790 CV 1 OR { 342} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) ASSI { 343} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG1 )) 2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.30843E-02 ppm1 3.941 ppm2 1.382 CV 1 ASSI { 344} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG2 )) 3.000 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.17783E-02 ppm1 3.939 ppm2 1.483 CV 1 ASSI { 345} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HD2 )) 3.300 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12810E-02 ppm1 3.940 ppm2 1.631 CV 1 OR { 345} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HD1 )) ASSI { 346} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.54910E-03 ppm1 3.942 ppm2 4.653 CV 1 ASSI { 348} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.26618E-02 ppm1 3.940 ppm2 1.897 CV 1 ASSI { 349} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18207E-02 ppm1 3.941 ppm2 2.470 CV 1 OR { 349} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HG1 )) ASSI { 351} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HG2 )) 2.300 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.86864E-02 ppm1 1.783 ppm2 1.487 CV 1 OR { 351} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HG2 )) ASSI { 352} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HG1 )) 2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.65123E-02 ppm1 1.791 ppm2 1.394 CV 1 OR { 352} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HG1 )) ASSI { 353} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HG1 )) 4.400 2.500 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.39078E-03 ppm1 1.794 ppm2 2.441 CV 1 OR { 353} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HG2 )) OR { 353} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HG1 )) ASSI { 358} (( segid " " and resid 9 and name HG1 )) (( segid " " and resid 9 and name HG2 )) 1.800 0.400 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.15757E-01 ppm1 1.398 ppm2 1.481 CV 1 ASSI { 360} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HD1 )) 2.000 0.500 0.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.16365E-01 ppm1 1.502 ppm2 1.633 CV 1 OR { 360} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HD2 )) ASSI { 364} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HG1 )) 2.300 0.600 0.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.92512E-02 ppm1 1.628 ppm2 1.385 CV 1 OR { 364} (( segid " " and resid 9 and name HD1 )) (( segid " " and resid 9 and name HG1 )) ASSI { 365} (( segid " " and resid 9 and name HE2 )) (( segid " " and resid 9 and name HG1 )) 3.700 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.51879E-03 ppm1 2.974 ppm2 1.385 CV 1 OR { 365} (( segid " " and resid 9 and name HE1 )) (( segid " " and resid 9 and name HG1 )) ASSI { 366} (( segid " " and resid 9 and name HE2 )) (( segid " " and resid 9 and name HG2 )) 4.200 2.200 1.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.36450E-03 ppm1 2.958 ppm2 1.486 CV 1 OR { 366} (( segid " " and resid 9 and name HE1 )) (( segid " " and resid 9 and name HG2 )) ASSI { 367} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.200 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.88115E-02 ppm1 4.160 ppm2 2.089 CV 1 OR { 367} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB1 )) ASSI { 368} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG1 )) 2.300 0.700 0.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.83908E-02 ppm1 4.146 ppm2 2.464 CV 1 OR { 368} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) ASSI { 369} (( segid " " and resid 10 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.900 2.900 3.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 4.156 ppm2 1.786 CV 1 OR { 369} (( segid " " and resid 10 and name HA )) (( segid " " and resid 9 and name HB2 )) ASSI { 373} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB1 )) 2.100 0.500 0.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14350E-01 ppm1 2.440 ppm2 2.095 CV 1 OR { 373} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HB2 )) OR { 373} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB2 )) OR { 373} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HB1 )) ASSI { 374} (( segid " " and resid 11 and name HA )) ( segid " " and resid 6 and name HD1%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.14677E-02 ppm1 4.264 ppm2 0.792 CV 1 ASSI { 375} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 6 and name HG12)) 3.900 1.900 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.57509E-03 ppm1 3.150 ppm2 1.328 CV 1 ASSI { 376} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 6 and name HG2%) 3.300 3.300 2.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.51124E-03 ppm1 3.152 ppm2 0.878 CV 1 ASSI { 377} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 6 and name HG11)) 4.000 2.000 2.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.15640E-03 ppm1 3.153 ppm2 1.169 CV 1 ASSI { 378} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 4.140 ppm2 3.178 CV 1 ASSI { 381} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.43487E-02 ppm1 1.996 ppm2 4.126 CV 1 ASSI { 382} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) 2.100 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.88777E-02 ppm1 1.897 ppm2 2.471 CV 1 OR { 382} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 383} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.14417E-02 ppm1 1.995 ppm2 3.933 CV 1 ASSI { 385} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.52138E-02 ppm1 2.478 ppm2 4.135 CV 1 OR { 385} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HA )) ASSI { 387} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB2 )) 2.200 0.600 0.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.11849E-01 ppm1 2.481 ppm2 1.989 CV 1 OR { 387} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 388} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 11 and name HB2 )) 4.100 2.100 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 2.474 ppm2 3.159 CV 1 OR { 388} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HB2 )) ASSI { 389} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 3.700 1.700 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.470 ppm2 3.076 CV 1 OR { 389} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 391} ( segid " " and resid 12 and name HE% ) (( segid " " and resid 12 and name HG1 )) 2.400 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.48782E-02 ppm1 1.964 ppm2 2.471 CV 1 OR { 391} ( segid " " and resid 12 and name HE% ) (( segid " " and resid 12 and name HG2 )) ASSI { 392} ( segid " " and resid 12 and name HE% ) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 1.970 ppm2 3.935 CV 1 ASSI { 394} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 2.000 0.500 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.15098E-01 ppm1 2.940 ppm2 4.251 CV 1 OR { 394} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 398} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) 1.800 1.800 4.200 peak 398 spectrum 1 weight 0.10000E+01 volume 0.20702E-01 ppm1 3.172 ppm2 4.262 CV 1 ASSI { 401} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.58101E-02 ppm1 2.964 ppm2 4.573 CV 1 ASSI { 403} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HB2 )) 2.100 0.500 0.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.69350E-02 ppm1 2.962 ppm2 3.181 CV 1 ASSI { 405} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.600 1.600 1.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.70288E-03 ppm1 4.539 ppm2 3.178 CV 1 ASSI { 406} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 3.257 ppm2 4.559 CV 1 ASSI { 408} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.53903E-02 ppm1 4.229 ppm2 1.897 CV 1 ASSI { 409} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.300 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.76201E-02 ppm1 4.223 ppm2 2.012 CV 1 ASSI { 410} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.33173E-02 ppm1 4.220 ppm2 2.194 CV 1 OR { 410} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG1 )) ASSI { 411} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.55390E-03 ppm1 4.216 ppm2 4.564 CV 1 ASSI { 415} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG1 )) 2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.15170E-01 ppm1 2.025 ppm2 2.198 CV 1 OR { 415} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG2 )) ASSI { 418} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HB1 )) 2.200 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.82254E-02 ppm1 2.192 ppm2 1.905 CV 1 OR { 418} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HB1 )) ASSI { 419} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.25055E-02 ppm1 2.832 ppm2 4.602 CV 1 ASSI { 420} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HB2 )) 2.000 0.500 0.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13625E-01 ppm1 2.736 ppm2 2.829 CV 1 ASSI { 421} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB )) 2.600 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.44813E-02 ppm1 4.023 ppm2 1.897 CV 1 ASSI { 422} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HG1%) 2.400 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.53678E-02 ppm1 4.024 ppm2 0.688 CV 1 ASSI { 423} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HG2%) 2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.50105E-02 ppm1 4.023 ppm2 0.774 CV 1 ASSI { 426} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 19 and name HB )) 2.300 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.59305E-02 ppm1 0.683 ppm2 1.893 CV 1 ASSI { 427} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 18 and name HA )) 3.900 1.900 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.81150E-03 ppm1 0.696 ppm2 4.605 CV 1 ASSI { 429} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HB )) 2.500 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.36442E-02 ppm1 0.765 ppm2 1.894 CV 1 ASSI { 430} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HA )) 3.300 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 0.777 ppm2 4.601 CV 1 ASSI { 431} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HB2 )) 3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.20528E-03 ppm1 0.764 ppm2 2.821 CV 1 ASSI { 432} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HB1 )) 3.800 1.800 1.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.22528E-03 ppm1 0.764 ppm2 2.719 CV 1 ASSI { 433} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 17 and name HG1 )) 3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.20576E-03 ppm1 0.790 ppm2 2.195 CV 1 ASSI { 434} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.53645E-02 ppm1 4.081 ppm2 1.731 CV 1 ASSI { 435} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG11)) 3.000 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.26120E-02 ppm1 4.077 ppm2 1.050 CV 1 ASSI { 436} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG12)) 3.700 1.700 1.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 4.073 ppm2 1.313 CV 1 ASSI { 437} (( segid " " and resid 20 and name HA )) ( segid " " and resid 20 and name HG2%) 2.300 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.84114E-02 ppm1 4.076 ppm2 0.740 CV 1 ASSI { 438} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HA )) 4.000 2.000 2.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.48156E-03 ppm1 4.075 ppm2 4.607 CV 1 ASSI { 440} (( segid " " and resid 20 and name HB )) (( segid " " and resid 20 and name HG11)) 2.600 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.38797E-02 ppm1 1.745 ppm2 1.054 CV 1 ASSI { 441} (( segid " " and resid 20 and name HB )) (( segid " " and resid 20 and name HG12)) 2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.49958E-02 ppm1 1.739 ppm2 1.316 CV 1 ASSI { 442} (( segid " " and resid 20 and name HB )) ( segid " " and resid 20 and name HG2%) 2.500 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36254E-02 ppm1 1.736 ppm2 0.740 CV 1 OR { 442} (( segid " " and resid 20 and name HB )) ( segid " " and resid 20 and name HD1%) ASSI { 445} (( segid " " and resid 20 and name HG11)) (( segid " " and resid 20 and name HG12)) 1.800 0.400 0.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.13630E-01 ppm1 1.069 ppm2 1.313 CV 1 ASSI { 446} (( segid " " and resid 20 and name HG11)) ( segid " " and resid 20 and name HD1%) 2.000 0.500 0.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13854E-01 ppm1 1.046 ppm2 0.745 CV 1 OR { 446} (( segid " " and resid 20 and name HG11)) ( segid " " and resid 20 and name HG2%) ASSI { 450} (( segid " " and resid 20 and name HG12)) ( segid " " and resid 20 and name HD1%) 2.000 0.500 0.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.12955E-01 ppm1 1.335 ppm2 0.745 CV 1 OR { 450} (( segid " " and resid 20 and name HG12)) ( segid " " and resid 20 and name HG2%) ASSI { 455} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13326E-02 ppm1 0.745 ppm2 4.608 CV 1 ASSI { 457} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 18 and name HB1 )) 3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.21411E-03 ppm1 0.748 ppm2 2.733 CV 1 ASSI { 459} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.55302E-02 ppm1 3.142 ppm2 4.622 CV 1 ASSI { 460} (( segid " " and resid 21 and name HB1 )) ( segid " " and resid 20 and name HD1%) 3.400 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 3.141 ppm2 0.744 CV 1 ASSI { 461} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 20 and name HG11)) 4.700 2.700 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.10131E-03 ppm1 7.170 ppm2 1.049 CV 1 ASSI { 462} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 3.500 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.79709E-03 ppm1 4.548 ppm2 2.559 CV 1 OR { 462} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI { 463} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HA )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 1.983 ppm2 4.457 CV 1 ASSI { 464} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HB2 )) 1.800 0.400 0.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16613E-01 ppm1 1.785 ppm2 1.984 CV 1 ASSI { 467} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HB1 )) 2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 2.368 ppm2 1.774 CV 1 OR { 467} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HB1 )) ASSI { 468} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HB2 )) 2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.59637E-02 ppm1 2.350 ppm2 1.991 CV 1 OR { 468} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HB2 )) ASSI { 470} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG1 )) 2.200 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.11738E-01 ppm1 2.215 ppm2 1.949 CV 1 OR { 470} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG2 )) ASSI { 471} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HD2 )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.71206E-02 ppm1 1.970 ppm2 3.629 CV 1 OR { 471} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HD1 )) ASSI { 472} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HD1 )) 4.100 2.100 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62752E-03 ppm1 2.223 ppm2 3.630 CV 1 OR { 472} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HD2 )) ASSI { 473} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HA )) 3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.24970E-02 ppm1 1.961 ppm2 4.307 CV 1 OR { 473} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 24 and name HA )) ASSI { 474} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 3.642 ppm2 4.461 CV 1 OR { 474} (( segid " " and resid 24 and name HD2 )) (( segid " " and resid 23 and name HA )) ASSI { 475} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG2 )) 3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 4.259 ppm2 2.451 CV 1 OR { 475} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG1 )) ASSI { 477} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HG2 )) 3.300 3.300 2.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.19528E-02 ppm1 3.155 ppm2 2.461 CV 1 OR { 477} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HG1 )) ASSI { 479} (( segid " " and resid 24 and name HD2 )) (( segid " " and resid 24 and name HG2 )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.51326E-02 ppm1 3.640 ppm2 1.959 CV 1 OR { 479} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HG1 )) OR { 479} (( segid " " and resid 24 and name HD1 )) (( segid " " and resid 24 and name HG2 )) OR { 479} (( segid " " and resid 24 and name HD2 )) (( segid " " and resid 24 and name HG1 )) ASSI { 480} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23294E-02 ppm1 8.891 ppm2 4.658 CV 1 ASSI { 481} (( segid " " and resid 2 and name HN )) (( segid " " and resid 14 and name HZ )) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.61503E-02 ppm1 8.891 ppm2 7.370 CV 1 ASSI { 482} (( segid " " and resid 6 and name HB )) (( segid " " and resid 3 and name HB1 )) 3.900 1.900 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.12505E-02 ppm1 1.896 ppm2 2.768 CV 1 ASSI { 483} (( segid " " and resid 6 and name HB )) (( segid " " and resid 3 and name HB2 )) 3.900 1.900 1.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 1.896 ppm2 3.168 CV 1 ASSI { 484} (( segid " " and resid 4 and name HN )) ( segid " " and resid 6 and name HG2%) 4.500 2.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24881E-03 ppm1 8.397 ppm2 0.881 CV 1 ASSI { 485} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HG11)) 4.500 2.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.29451E-03 ppm1 8.396 ppm2 1.170 CV 1 ASSI { 486} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 10 and name HG2 )) 3.000 1.100 1.100 peak 486 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 0.879 ppm2 2.446 CV 1 OR { 486} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 10 and name HG1 )) ASSI { 487} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.41091E-02 ppm1 8.094 ppm2 4.734 CV 1 ASSI { 488} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.37620E-02 ppm1 8.096 ppm2 2.939 CV 1 ASSI { 489} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.900 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.29980E-02 ppm1 8.095 ppm2 4.589 CV 1 ASSI { 490} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 8.095 ppm2 8.725 CV 1 ASSI { 491} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 19 and name HB )) 5.400 3.600 0.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10050E-03 ppm1 7.291 ppm2 1.905 CV 1 ASSI { 492} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 19 and name HG2%) 4.500 2.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.21475E-03 ppm1 7.294 ppm2 0.793 CV 1 ASSI { 493} ( segid " " and resid 14 and name HD% ) ( segid " " and resid 19 and name HG1%) 5.400 3.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11071E-03 ppm1 7.291 ppm2 0.687 CV 1 ASSI { 494} ( segid " " and resid 14 and name HE% ) ( segid " " and resid 19 and name HG2%) 4.800 2.900 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.12156E-03 ppm1 7.369 ppm2 0.766 CV 1 OR { 494} (( segid " " and resid 14 and name HZ )) ( segid " " and resid 19 and name HG2%) ASSI { 495} ( segid " " and resid 14 and name HE% ) ( segid " " and resid 19 and name HG1%) 5.400 3.600 0.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20797E-03 ppm1 7.371 ppm2 0.680 CV 1 OR { 495} (( segid " " and resid 14 and name HZ )) ( segid " " and resid 19 and name HG1%) ASSI { 496} ( segid " " and resid 13 and name HD% ) ( segid " " and resid 19 and name HG1%) 5.400 3.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.10107E-03 ppm1 6.784 ppm2 0.684 CV 1 ASSI { 497} ( segid " " and resid 13 and name HD% ) ( segid " " and resid 19 and name HG2%) 4.800 2.900 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.14687E-03 ppm1 6.784 ppm2 0.763 CV 1 ASSI { 498} ( segid " " and resid 13 and name HE% ) ( segid " " and resid 19 and name HG2%) 4.800 2.900 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.13867E-03 ppm1 6.691 ppm2 0.764 CV 1 ASSI { 88} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 17 and name HN )) 5.000 3.200 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.71535E-04 ppm1 7.283 ppm2 8.141 CV 1 OR { 88} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 12 and name HN )) ASSI { 92} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.16156E-03 ppm1 7.372 ppm2 8.142 CV 1 OR { 92} ( segid " " and resid 14 and name HE% ) (( segid " " and resid 17 and name HN )) ASSI { 180} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 17 and name HB1 )) 4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.41997E-03 ppm1 6.782 ppm2 1.903 CV 1 OR { 180} ( segid " " and resid 13 and name HD% ) (( segid " " and resid 12 and name HB1 )) ASSI { 194} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 11 and name HA )) 2.100 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.72434E-02 ppm1 7.293 ppm2 4.270 CV 1 OR { 194} ( segid " " and resid 14 and name HD% ) (( segid " " and resid 14 and name HA )) ASSI { 233} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.33822E-02 ppm1 7.167 ppm2 3.199 CV 1 OR { 233} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB1 )) ASSI { 326} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HA )) 4.400 2.400 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.45211E-03 ppm1 0.879 ppm2 4.655 CV 1 OR { 326} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HA )) ASSI { 328} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 3 and name HB2 )) 4.400 2.400 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.44093E-03 ppm1 0.880 ppm2 3.147 CV 1 OR { 328} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 11 and name HB2 )) ASSI { 332} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 3 and name HB2 )) 3.600 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31356E-03 ppm1 0.813 ppm2 3.166 CV 1 OR { 332} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 11 and name HB2 )) ASSI { 335} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.40112E-02 ppm1 2.771 ppm2 4.651 CV 1 OR { 335} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 370} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB1 )) 2.200 0.600 0.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.85291E-02 ppm1 4.152 ppm2 2.936 CV 1 OR { 370} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 370} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 379} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.100 0.500 0.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12337E-01 ppm1 4.149 ppm2 1.897 CV 1 OR { 379} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB )) ASSI { 396} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.11085E-01 ppm1 4.275 ppm2 3.085 CV 1 OR { 396} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 397} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12411E-01 ppm1 4.269 ppm2 3.166 CV 1 OR { 397} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 407} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.100 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13056E-01 ppm1 3.202 ppm2 4.576 CV 1 OR { 407} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) ASSI { 414} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HB2 )) 1.700 0.400 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.20713E-01 ppm1 1.909 ppm2 2.003 CV 1 OR { 414} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 476} (( segid " " and resid 6 and name HA )) (( segid " " and resid 5 and name HB1 )) 3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.21822E-02 ppm1 4.151 ppm2 2.765 CV 1 OR { 476} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HB1 )) OR { 476} (( segid " " and resid 6 and name HA )) (( segid " " and resid 3 and name HB1 ))
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