NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
9342 | 1nso | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HH2 )) 3.400 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.63294E-02 ppm1 10.188 ppm2 6.919 CV 1 ASSI { 2} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HB1 )) 3.200 3.200 2.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.57516E-02 ppm1 10.189 ppm2 3.036 CV 1 ASSI { 3} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 45 and name HG12)) 4.900 3.000 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.56484E-03 ppm1 10.191 ppm2 1.135 CV 1 ASSI { 4} (( segid " " and resid 43 and name HE1 )) ( segid " " and resid 45 and name HG2%) 2.500 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.91568E-02 ppm1 10.188 ppm2 0.444 CV 1 ASSI { 5} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HN )) 3.800 1.800 1.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.13261E-02 ppm1 10.187 ppm2 7.915 CV 1 ASSI { 6} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HZ2 )) 3.300 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 10.188 ppm2 7.395 CV 1 ASSI { 7} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HD1 )) 3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 10.187 ppm2 7.134 CV 1 ASSI { 8} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 45 and name HA )) 4.500 2.700 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.86078E-04 ppm1 10.191 ppm2 4.904 CV 1 ASSI { 9} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 44 and name HA )) 4.900 3.000 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.49457E-03 ppm1 10.186 ppm2 4.685 CV 1 ASSI { 10} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 39 and name HB2 )) 4.500 2.700 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.56484E-03 ppm1 10.191 ppm2 3.023 CV 1 ASSI { 11} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 45 and name HB )) 4.700 2.800 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.87908E-03 ppm1 10.188 ppm2 1.426 CV 1 ASSI { 12} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 45 and name HN )) 5.900 4.300 0.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.15444E-03 ppm1 10.193 ppm2 8.450 CV 1 ASSI { 13} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 64 and name HA )) 5.600 3.900 0.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.17405E-03 ppm1 10.180 ppm2 4.197 CV 1 ASSI { 14} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 40 and name HD2 )) 4.400 2.500 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.43908E-03 ppm1 10.180 ppm2 3.425 CV 1 ASSI { 15} (( segid " " and resid 1 and name HE1 )) (( segid " " and resid 1 and name HZ2 )) 3.600 1.600 1.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 10.040 ppm2 7.354 CV 1 ASSI { 16} (( segid " " and resid 1 and name HE1 )) (( segid " " and resid 1 and name HD1 )) 2.900 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.52510E-02 ppm1 10.045 ppm2 7.150 CV 1 ASSI { 17} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 15 and name HZ2 )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.21752E-02 ppm1 10.122 ppm2 7.363 CV 1 ASSI { 18} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 15 and name HD1 )) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.80850E-02 ppm1 10.126 ppm2 6.724 CV 1 ASSI { 20} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 16 and name HA )) 5.900 4.400 0.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.11856E-03 ppm1 10.127 ppm2 5.315 CV 1 ASSI { 21} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 75 and name HA )) 3.900 1.900 1.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.52006E-03 ppm1 10.129 ppm2 4.092 CV 1 ASSI { 22} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 45 and name HN )) 4.500 2.700 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.56484E-03 ppm1 10.191 ppm2 8.431 CV 1 ASSI { 23} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 66 and name HN )) 4.500 2.700 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.56484E-03 ppm1 10.191 ppm2 7.363 CV 1 ASSI { 24} (( segid " " and resid 70 and name HN )) (( segid " " and resid 16 and name HA )) 4.500 2.700 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.663 ppm2 5.325 CV 1 ASSI { 25} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB1 )) 4.500 2.700 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.663 ppm2 1.004 CV 1 ASSI { 26} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HA1 )) 4.500 2.700 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.663 ppm2 3.738 CV 1 ASSI { 27} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 4.300 2.300 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.31529E-03 ppm1 8.959 ppm2 4.919 CV 1 ASSI { 28} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.43497E-03 ppm1 8.946 ppm2 2.139 CV 1 ASSI { 29} (( segid " " and resid 26 and name HN )) ( segid " " and resid 29 and name HB% ) 5.800 4.200 0.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.83725E-04 ppm1 8.951 ppm2 1.409 CV 1 ASSI { 30} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HG2%) 3.300 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.17837E-02 ppm1 8.950 ppm2 0.868 CV 1 ASSI { 31} (( segid " " and resid 26 and name HN )) ( segid " " and resid 98 and name HD1%) 4.000 2.000 2.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.58274E-03 ppm1 8.944 ppm2 0.618 CV 1 ASSI { 32} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 8.943 ppm2 3.983 CV 1 ASSI { 33} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.400 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24340E-02 ppm1 8.941 ppm2 2.947 CV 1 ASSI { 34} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 6.000 5.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.91699E-04 ppm1 8.944 ppm2 8.516 CV 1 ASSI { 35} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.300 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12072E-01 ppm1 9.347 ppm2 4.867 CV 1 ASSI { 36} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 9.348 ppm2 4.649 CV 1 ASSI { 37} (( segid " " and resid 81 and name HN )) (( segid " " and resid 67 and name HA )) 5.600 3.900 0.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.28131E-03 ppm1 9.345 ppm2 4.082 CV 1 ASSI { 38} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HD2 )) 3.800 1.800 1.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.91765E-03 ppm1 9.348 ppm2 3.497 CV 1 ASSI { 39} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB )) 2.500 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.50150E-02 ppm1 9.349 ppm2 1.813 CV 1 ASSI { 40} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.100 1.200 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.46111E-02 ppm1 9.346 ppm2 1.423 CV 1 ASSI { 41} (( segid " " and resid 26 and name HN )) ( segid " " and resid 93 and name HB1 ) 4.500 2.700 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.83725E-04 ppm1 8.951 ppm2 3.030 CV 1 ASSI { 42} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD1%) 3.300 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.50405E-02 ppm1 9.346 ppm2 0.871 CV 1 ASSI { 43} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.000 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.25784E-02 ppm1 9.350 ppm2 0.551 CV 1 ASSI { 44} (( segid " " and resid 81 and name HN )) ( segid " " and resid 67 and name HE% ) 3.300 3.300 2.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.70719E-03 ppm1 9.348 ppm2 6.725 CV 1 ASSI { 45} (( segid " " and resid 70 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 5.700 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.663 ppm2 3.417 CV 1 ASSI { 46} (( segid " " and resid 70 and name HN )) (( segid " " and resid 15 and name HD1 )) 6.000 5.100 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.92418E-04 ppm1 8.659 ppm2 6.736 CV 1 ASSI { 47} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD1 )) 5.000 3.100 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.65353E-03 ppm1 8.664 ppm2 6.436 CV 1 ASSI { 48} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.41189E-02 ppm1 8.663 ppm2 6.218 CV 1 ASSI { 49} (( segid " " and resid 70 and name HN )) (( segid " " and resid 79 and name HA )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.13523E-02 ppm1 8.660 ppm2 5.873 CV 1 ASSI { 50} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 5.000 3.100 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.17405E-03 ppm1 8.663 ppm2 5.283 CV 1 ASSI { 51} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.400 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.68366E-02 ppm1 8.662 ppm2 5.012 CV 1 ASSI { 52} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB )) 4.600 2.600 1.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.47791E-03 ppm1 8.659 ppm2 4.022 CV 1 ASSI { 53} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HN )) 4.500 2.700 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.663 ppm2 6.253 CV 1 ASSI { 54} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.500 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 8.658 ppm2 3.080 CV 1 ASSI { 55} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 8.660 ppm2 2.560 CV 1 ASSI { 56} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG2%) 3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.77386E-02 ppm1 8.661 ppm2 0.941 CV 1 ASSI { 57} (( segid " " and resid 70 and name HN )) ( segid " " and resid 79 and name HD2%) 4.100 2.200 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.11915E-02 ppm1 8.661 ppm2 0.623 CV 1 ASSI { 58} (( segid " " and resid 13 and name HN )) (( segid " " and resid 4 and name HA )) 4.500 2.700 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.31765E-03 ppm1 8.745 ppm2 4.298 CV 1 ASSI { 59} (( segid " " and resid 13 and name HN )) (( segid " " and resid 5 and name HA )) 3.800 3.800 2.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.31765E-03 ppm1 8.745 ppm2 4.044 CV 1 ASSI { 60} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 8.746 ppm2 5.214 CV 1 ASSI { 61} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 22 and name HA )) 4.500 2.700 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.70915E-02 ppm1 9.562 ppm2 5.423 CV 1 ASSI { 62} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.87320E-02 ppm1 8.751 ppm2 4.715 CV 1 ASSI { 63} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.83791E-03 ppm1 8.745 ppm2 3.765 CV 1 ASSI { 64} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.700 1.700 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.34372E-02 ppm1 8.749 ppm2 1.403 CV 1 ASSI { 65} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG )) 3.700 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 8.748 ppm2 1.039 CV 1 ASSI { 66} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HG2%) 3.400 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.41856E-02 ppm1 8.746 ppm2 0.766 CV 1 ASSI { 67} (( segid " " and resid 13 and name HN )) ( segid " " and resid 14 and name HD2%) 4.600 2.600 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.53366E-03 ppm1 8.745 ppm2 0.255 CV 1 ASSI { 68} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 101 and name HE% ) 5.000 3.100 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.18954E-03 ppm1 9.454 ppm2 1.425 CV 1 ASSI { 69} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 44 and name HB2 )) 6.000 5.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10993E-03 ppm1 9.965 ppm2 2.018 CV 1 ASSI { 70} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 40 and name HB1 )) 5.300 3.500 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.41065E-03 ppm1 9.960 ppm2 0.159 CV 1 ASSI { 71} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 101 and name HG1 )) 4.800 2.800 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.28869E-03 ppm1 9.454 ppm2 1.858 CV 1 ASSI { 72} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 80 and name HG2%) 4.000 2.000 2.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.27105E-02 ppm1 9.453 ppm2 0.860 CV 1 ASSI { 73} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 97 and name HD1%) 4.700 2.800 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16418E-03 ppm1 9.453 ppm2 0.555 CV 1 ASSI { 74} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 72 and name HA )) 4.500 2.700 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.70915E-02 ppm1 9.562 ppm2 5.416 CV 1 ASSI { 75} (( segid " " and resid 71 and name HN )) (( segid " " and resid 15 and name HA )) 4.500 2.700 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.91830E-03 ppm1 9.072 ppm2 5.374 CV 1 ASSI { 76} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HZ2 )) 3.200 1.300 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.16941E-02 ppm1 9.447 ppm2 7.443 CV 1 ASSI { 77} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HD1 )) 2.900 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.21255E-02 ppm1 9.446 ppm2 6.948 CV 1 ASSI { 78} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HZ3 )) 4.100 2.100 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.89542E-03 ppm1 9.452 ppm2 6.679 CV 1 ASSI { 79} (( segid " " and resid 71 and name HN )) (( segid " " and resid 78 and name HN )) 4.500 2.700 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.91830E-03 ppm1 9.072 ppm2 6.244 CV 1 ASSI { 80} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 78 and name HA1 )) 3.100 3.100 2.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11091E-01 ppm1 9.447 ppm2 3.775 CV 1 ASSI { 81} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD% )) 4.500 2.700 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.29928E-04 ppm1 8.242 ppm2 3.032 CV 1 ASSI { 82} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HB1 )) 4.500 2.700 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.29928E-04 ppm1 8.242 ppm2 3.062 CV 1 ASSI { 83} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 97 and name HB1 )) 5.300 3.400 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.28856E-03 ppm1 9.446 ppm2 1.546 CV 1 ASSI { 84} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 97 and name HD2%) 5.000 3.100 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.52118E-03 ppm1 9.446 ppm2 -0.484 CV 1 ASSI { 85} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 97 and name HG )) 4.100 2.100 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.50608E-03 ppm1 9.434 ppm2 1.138 CV 1 ASSI { 86} (( segid " " and resid 36 and name HN )) ( segid " " and resid 88 and name HA ) 4.500 2.700 1.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19915E-02 ppm1 7.715 ppm2 4.546 CV 1 ASSI { 87} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG )) 5.000 3.100 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.51712E-03 ppm1 7.720 ppm2 1.289 CV 1 ASSI { 88} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.300 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.74314E-02 ppm1 7.717 ppm2 0.840 CV 1 ASSI { 89} (( segid " " and resid 36 and name HN )) ( segid " " and resid 84 and name HG2%) 3.700 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.19915E-02 ppm1 7.715 ppm2 0.105 CV 1 ASSI { 90} (( segid " " and resid 36 and name HN )) ( segid " " and resid 84 and name HG1%) 6.000 5.800 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.31379E-04 ppm1 7.718 ppm2 -0.640 CV 1 ASSI { 91} (( segid " " and resid 36 and name HN )) (( segid " " and resid 84 and name HA )) 5.600 3.900 0.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.13712E-03 ppm1 7.712 ppm2 5.002 CV 1 ASSI { 92} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.37843E-02 ppm1 7.713 ppm2 3.783 CV 1 ASSI { 93} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HG2 )) 6.000 6.000 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.32542E-04 ppm1 7.712 ppm2 2.492 CV 1 ASSI { 94} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.300 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.28974E-02 ppm1 7.720 ppm2 1.818 CV 1 ASSI { 95} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 39 and name HZ2 )) 2.900 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.37327E-02 ppm1 9.957 ppm2 7.397 CV 1 ASSI { 96} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 39 and name HD1 )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.53451E-02 ppm1 9.959 ppm2 6.626 CV 1 ASSI { 97} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 39 and name HB2 )) 4.300 2.300 1.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.84967E-03 ppm1 9.963 ppm2 2.903 CV 1 ASSI { 98} (( segid " " and resid 39 and name HE1 )) ( segid " " and resid 84 and name HG1%) 5.200 3.400 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.33758E-03 ppm1 9.965 ppm2 -0.651 CV 1 ASSI { 99} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 43 and name HA )) 4.200 2.200 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.67516E-03 ppm1 9.951 ppm2 5.332 CV 1 ASSI { 100} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 44 and name HA )) 3.300 1.400 1.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.25242E-02 ppm1 9.955 ppm2 4.693 CV 1 ASSI { 101} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 40 and name HB2 )) 3.900 1.900 1.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.87712E-03 ppm1 9.959 ppm2 1.336 CV 1 ASSI { 102} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 40 and name HG2 )) 6.000 5.900 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.99346E-04 ppm1 9.951 ppm2 0.602 CV 1 ASSI { 103} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 79 and name HA )) 5.100 3.300 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.18085E-03 ppm1 9.455 ppm2 5.860 CV 1 ASSI { 104} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HG )) 4.500 2.700 1.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.31765E-03 ppm1 8.745 ppm2 4.298 CV 1 ASSI { 105} (( segid " " and resid 36 and name HN )) (( segid " " and resid 87 and name HA )) 6.000 5.100 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.88431E-04 ppm1 7.716 ppm2 4.233 CV 1 ASSI { 106} (( segid " " and resid 36 and name HN )) (( segid " " and resid 86 and name HB1 )) 5.300 3.600 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.42255E-03 ppm1 7.720 ppm2 2.140 CV 1 ASSI { 107} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.100 0.500 0.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.10131E-01 ppm1 7.711 ppm2 4.493 CV 1 ASSI { 108} (( segid " " and resid 36 and name HN )) (( segid " " and resid 84 and name HB )) 5.600 3.900 0.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.12889E-03 ppm1 7.710 ppm2 1.040 CV 1 ASSI { 109} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 43 and name HN )) 5.100 3.200 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.15333E-03 ppm1 9.949 ppm2 7.922 CV 1 ASSI { 110} (( segid " " and resid 34 and name HN )) ( segid " " and resid 84 and name HG2%) 4.500 2.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.39052E-03 ppm1 8.806 ppm2 0.153 CV 1 ASSI { 111} (( segid " " and resid 34 and name HN )) (( segid " " and resid 85 and name HN )) 4.100 2.100 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.11647E-02 ppm1 8.799 ppm2 7.930 CV 1 ASSI { 112} (( segid " " and resid 34 and name HN )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 8.801 ppm2 5.055 CV 1 ASSI { 113} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.000 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.17163E-01 ppm1 8.803 ppm2 4.602 CV 1 ASSI { 114} (( segid " " and resid 34 and name HN )) (( segid " " and resid 89 and name HD1 )) 6.000 6.000 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.32908E-04 ppm1 8.795 ppm2 3.699 CV 1 ASSI { 115} (( segid " " and resid 34 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.800 1.900 1.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.13575E-02 ppm1 8.803 ppm2 2.837 CV 1 ASSI { 116} (( segid " " and resid 34 and name HN )) (( segid " " and resid 89 and name HG1 )) 3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.55608E-03 ppm1 8.805 ppm2 1.981 CV 1 ASSI { 117} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB )) 2.600 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.41412E-02 ppm1 8.801 ppm2 1.734 CV 1 ASSI { 118} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HG2%) 3.300 1.300 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.19993E-02 ppm1 8.806 ppm2 1.186 CV 1 ASSI { 119} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 2.800 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.43431E-02 ppm1 8.801 ppm2 0.673 CV 1 ASSI { 120} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD1%) 4.200 2.200 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.90196E-03 ppm1 8.802 ppm2 0.329 CV 1 ASSI { 121} (( segid " " and resid 34 and name HN )) ( segid " " and resid 84 and name HG1%) 3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.13098E-02 ppm1 8.801 ppm2 -0.638 CV 1 ASSI { 122} (( segid " " and resid 34 and name HN )) ( segid " " and resid 82 and name HB1 ) 4.500 2.700 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.39052E-03 ppm1 8.806 ppm2 2.006 CV 1 ASSI { 123} (( segid " " and resid 34 and name HN )) ( segid " " and resid 91 and name HA ) 4.500 2.700 1.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.39052E-03 ppm1 8.806 ppm2 4.532 CV 1 ASSI { 124} (( segid " " and resid 20 and name HN )) (( segid " " and resid 15 and name HA )) 6.000 5.000 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11007E-03 ppm1 8.539 ppm2 5.355 CV 1 ASSI { 125} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.98627E-02 ppm1 8.531 ppm2 4.785 CV 1 ASSI { 126} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.900 1.100 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.20562E-02 ppm1 8.531 ppm2 4.016 CV 1 ASSI { 127} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 8.529 ppm2 2.051 CV 1 ASSI { 128} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG1 )) 2.800 2.800 3.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13621E-01 ppm1 8.537 ppm2 1.555 CV 1 ASSI { 129} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG2 )) 5.000 3.200 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.34673E-03 ppm1 8.528 ppm2 1.110 CV 1 ASSI { 130} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.13379E-01 ppm1 8.119 ppm2 4.221 CV 1 ASSI { 131} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HB% ) 2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.85359E-02 ppm1 8.117 ppm2 1.299 CV 1 ASSI { 132} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) 4.200 2.200 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.65163E-03 ppm1 8.115 ppm2 1.083 CV 1 ASSI { 133} (( segid " " and resid 3 and name HN )) (( segid " " and resid 13 and name HA )) 5.800 4.200 0.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.13098E-03 ppm1 8.046 ppm2 5.239 CV 1 ASSI { 134} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 45 and name HB )) 4.500 2.700 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.67516E-03 ppm1 9.951 ppm2 1.399 CV 1 ASSI { 135} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.000 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.23673E-02 ppm1 8.050 ppm2 4.101 CV 1 ASSI { 136} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.300 0.700 0.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.11529E-01 ppm1 8.043 ppm2 3.845 CV 1 ASSI { 137} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HD2 )) 5.100 3.300 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.36157E-03 ppm1 8.046 ppm2 3.560 CV 1 ASSI { 138} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HG1 )) 3.900 1.900 1.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.82680E-03 ppm1 8.045 ppm2 2.219 CV 1 ASSI { 139} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB1 )) 2.700 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.42464E-02 ppm1 8.041 ppm2 1.812 CV 1 ASSI { 140} (( segid " " and resid 3 and name HN )) (( segid " " and resid 73 and name HG1 )) 6.000 5.700 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.39013E-04 ppm1 8.035 ppm2 1.530 CV 1 ASSI { 141} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA2 )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.35967E-04 ppm1 8.325 ppm2 3.229 CV 1 ASSI { 142} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 3.900 1.900 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.51144E-03 ppm1 8.325 ppm2 2.744 CV 1 ASSI { 143} (( segid " " and resid 97 and name HN )) ( segid " " and resid 97 and name HD2%) 3.900 1.900 1.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.55843E-03 ppm1 8.325 ppm2 -0.484 CV 1 ASSI { 144} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.77451E-02 ppm1 8.195 ppm2 4.401 CV 1 ASSI { 145} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.300 2.300 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.28882E-03 ppm1 8.200 ppm2 2.495 CV 1 ASSI { 146} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) 4.200 2.200 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14752E-02 ppm1 8.196 ppm2 1.964 CV 1 ASSI { 147} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.69542E-02 ppm1 8.194 ppm2 1.322 CV 1 ASSI { 148} (( segid " " and resid 106 and name HN )) ( segid " " and resid 104 and name HE% ) 5.200 3.400 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.19301E-03 ppm1 8.193 ppm2 1.064 CV 1 ASSI { 149} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HB2 )) 4.500 2.700 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.29928E-04 ppm1 8.242 ppm2 2.755 CV 1 ASSI { 150} (( segid " " and resid 3 and name HN )) (( segid " " and resid 13 and name HB )) 4.500 2.700 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.96209E-04 ppm1 8.038 ppm2 3.809 CV 1 ASSI { 151} (( segid " " and resid 3 and name HN )) (( segid " " and resid 14 and name HG )) 5.500 3.800 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.96209E-04 ppm1 8.038 ppm2 1.038 CV 1 ASSI { 152} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG2%) 3.800 1.800 1.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.039 ppm2 0.714 CV 1 ASSI { 153} (( segid " " and resid 70 and name HE1 )) ( segid " " and resid 14 and name HD1%) 6.000 5.900 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.14908E-03 ppm1 9.573 ppm2 -0.454 CV 1 ASSI { 154} (( segid " " and resid 33 and name HN )) (( segid " " and resid 91 and name HN )) 4.400 2.500 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.73072E-03 ppm1 8.743 ppm2 7.767 CV 1 ASSI { 155} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14967E-01 ppm1 8.753 ppm2 4.487 CV 1 ASSI { 156} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB )) 4.100 2.100 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.14373E-02 ppm1 8.747 ppm2 4.074 CV 1 ASSI { 157} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB )) 3.400 3.400 2.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 8.746 ppm2 1.776 CV 1 ASSI { 158} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 2.300 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.10523E-01 ppm1 8.750 ppm2 1.434 CV 1 ASSI { 159} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG11)) 3.100 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.15072E-02 ppm1 8.745 ppm2 1.103 CV 1 ASSI { 160} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.500 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.32902E-02 ppm1 8.740 ppm2 0.711 CV 1 ASSI { 161} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA1 )) 6.000 6.000 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.38497E-04 ppm1 8.324 ppm2 5.049 CV 1 ASSI { 162} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.500 2.700 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.73072E-03 ppm1 8.743 ppm2 4.465 CV 1 ASSI { 163} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.326 ppm2 4.057 CV 1 ASSI { 164} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.23359E-02 ppm1 8.325 ppm2 3.780 CV 1 ASSI { 166} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HB1 )) 5.500 3.800 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.18627E-03 ppm1 8.323 ppm2 1.852 CV 1 ASSI { 167} (( segid " " and resid 73 and name HN )) (( segid " " and resid 3 and name HN )) 4.500 2.700 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.90784E-04 ppm1 8.913 ppm2 8.068 CV 1 ASSI { 168} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.300 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.61046E-02 ppm1 8.327 ppm2 1.155 CV 1 ASSI { 169} (( segid " " and resid 97 and name HN )) ( segid " " and resid 80 and name HD1%) 3.700 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.21810E-02 ppm1 8.325 ppm2 0.853 CV 1 ASSI { 170} (( segid " " and resid 97 and name HN )) ( segid " " and resid 97 and name HD1%) 4.300 2.300 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 8.325 ppm2 0.536 CV 1 ASSI { 171} (( segid " " and resid 97 and name HN )) ( segid " " and resid 98 and name HD2%) 5.200 3.300 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.29575E-03 ppm1 8.327 ppm2 -0.245 CV 1 ASSI { 172} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HN )) 3.800 3.800 2.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.29477E-03 ppm1 8.198 ppm2 7.728 CV 1 ASSI { 173} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HD1 )) 5.000 3.100 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.61967E-03 ppm1 7.934 ppm2 3.857 CV 1 ASSI { 174} (( segid " " and resid 73 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.500 2.700 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.90784E-04 ppm1 8.913 ppm2 2.734 CV 1 ASSI { 175} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 4.500 2.700 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.10307E-03 ppm1 7.982 ppm2 4.143 CV 1 ASSI { 176} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB% )) 4.500 2.700 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10307E-03 ppm1 7.982 ppm2 1.997 CV 1 ASSI { 177} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 23 and name HN )) 3.000 3.000 3.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.70915E-02 ppm1 9.562 ppm2 8.359 CV 1 ASSI { 178} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 4.500 2.700 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.10307E-03 ppm1 7.982 ppm2 8.901 CV 1 ASSI { 179} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 70 and name HZ2 )) 3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.83660E-03 ppm1 9.561 ppm2 6.958 CV 1 ASSI { 180} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 70 and name HD1 )) 2.900 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 9.565 ppm2 6.440 CV 1 ASSI { 181} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HN )) 4.500 2.700 1.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.72745E-02 ppm1 8.096 ppm2 8.925 CV 1 ASSI { 182} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 14 and name HA )) 4.600 2.700 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.85490E-03 ppm1 9.562 ppm2 4.708 CV 1 ASSI { 183} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 21 and name HB1 )) 4.200 2.200 1.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.23085E-03 ppm1 9.568 ppm2 2.959 CV 1 ASSI { 184} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 23 and name HA2 )) 4.300 2.300 1.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17013E-02 ppm1 9.564 ppm2 2.657 CV 1 ASSI { 185} (( segid " " and resid 70 and name HE1 )) ( segid " " and resid 20 and name HE% ) 5.600 3.900 0.400 peak 185 spectrum 1 weight 0.10000E+01 volume 0.34248E-03 ppm1 9.568 ppm2 1.731 CV 1 ASSI { 186} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 4.500 2.700 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.72745E-02 ppm1 8.096 ppm2 8.908 CV 1 ASSI { 187} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 12 and name HG )) 3.800 1.900 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.19712E-02 ppm1 9.565 ppm2 1.070 CV 1 ASSI { 188} (( segid " " and resid 70 and name HE1 )) ( segid " " and resid 12 and name HD1%) 2.900 2.900 3.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 9.561 ppm2 0.784 CV 1 ASSI { 189} (( segid " " and resid 70 and name HE1 )) ( segid " " and resid 14 and name HD2%) 4.000 2.000 2.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 9.560 ppm2 0.289 CV 1 ASSI { 190} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 23 and name HA1 )) 4.400 2.400 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.65189E-03 ppm1 9.554 ppm2 4.124 CV 1 ASSI { 191} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.21216E-02 ppm1 9.087 ppm2 7.682 CV 1 ASSI { 192} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 1.900 0.500 0.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.19235E-01 ppm1 9.090 ppm2 4.479 CV 1 ASSI { 193} (( segid " " and resid 29 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.500 2.700 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.81961E-03 ppm1 7.385 ppm2 1.434 CV 1 ASSI { 194} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HB1 )) 5.700 4.000 0.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10144E-03 ppm1 9.086 ppm2 3.068 CV 1 ASSI { 195} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HE1 )) 3.900 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.83921E-03 ppm1 9.086 ppm2 2.820 CV 1 ASSI { 196} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12824E-01 ppm1 9.088 ppm2 1.770 CV 1 ASSI { 197} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HB )) 4.800 2.800 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.44843E-03 ppm1 9.088 ppm2 1.457 CV 1 ASSI { 198} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HG2%) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10856E-01 ppm1 9.088 ppm2 1.218 CV 1 ASSI { 199} (( segid " " and resid 29 and name HN )) (( segid " " and resid 95 and name HD1 )) 4.700 2.700 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.81961E-03 ppm1 7.385 ppm2 3.248 CV 1 ASSI { 200} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HD1%) 4.300 2.300 1.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 9.089 ppm2 0.321 CV 1 ASSI { 201} (( segid " " and resid 35 and name HN )) ( segid " " and resid 84 and name HG1%) 6.000 6.000 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.29157E-04 ppm1 9.094 ppm2 -0.634 CV 1 ASSI { 202} (( segid " " and resid 29 and name HN )) (( segid " " and resid 94 and name HA2 )) 4.500 2.700 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.81961E-03 ppm1 7.385 ppm2 3.241 CV 1 ASSI { 203} (( segid " " and resid 35 and name HN )) (( segid " " and resid 91 and name HB1 )) 5.000 3.100 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.19850E-03 ppm1 9.079 ppm2 2.511 CV 1 ASSI { 204} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.500 2.700 1.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.81961E-03 ppm1 7.385 ppm2 2.635 CV 1 ASSI { 205} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) 4.300 2.400 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.93137E-03 ppm1 8.867 ppm2 3.766 CV 1 ASSI { 206} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.86601E-03 ppm1 8.868 ppm2 2.998 CV 1 ASSI { 207} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 4.800 2.800 1.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.44307E-03 ppm1 8.865 ppm2 1.575 CV 1 ASSI { 208} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 4.800 2.900 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.46732E-03 ppm1 8.867 ppm2 -0.456 CV 1 ASSI { 209} (( segid " " and resid 14 and name HN )) (( segid " " and resid 23 and name HN )) 5.200 3.400 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.33497E-03 ppm1 8.857 ppm2 8.358 CV 1 ASSI { 210} (( segid " " and resid 14 and name HN )) (( segid " " and resid 70 and name HZ2 )) 3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.70131E-03 ppm1 8.856 ppm2 6.954 CV 1 ASSI { 211} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 2.000 0.500 0.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.14993E-01 ppm1 8.861 ppm2 5.221 CV 1 ASSI { 212} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.800 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.36974E-02 ppm1 8.861 ppm2 4.685 CV 1 ASSI { 213} (( segid " " and resid 14 and name HN )) (( segid " " and resid 20 and name HA )) 4.800 2.900 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.37967E-03 ppm1 8.859 ppm2 4.059 CV 1 ASSI { 214} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.39680E-02 ppm1 8.859 ppm2 1.302 CV 1 ASSI { 215} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 4.300 2.400 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.31667E-03 ppm1 8.853 ppm2 1.030 CV 1 ASSI { 216} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HG2%) 2.700 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.81765E-02 ppm1 8.860 ppm2 0.749 CV 1 ASSI { 217} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 3.900 1.900 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 8.859 ppm2 0.285 CV 1 ASSI { 218} (( segid " " and resid 33 and name HN )) (( segid " " and resid 93 and name HA )) 5.800 4.200 0.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.99673E-04 ppm1 8.738 ppm2 5.040 CV 1 ASSI { 219} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HZ3 )) 3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.27020E-02 ppm1 7.935 ppm2 6.623 CV 1 ASSI { 220} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.42484E-02 ppm1 7.934 ppm2 5.353 CV 1 ASSI { 221} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 7.936 ppm2 4.648 CV 1 ASSI { 222} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10033E-02 ppm1 7.936 ppm2 4.331 CV 1 ASSI { 223} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 2.900 2.900 3.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15425E-02 ppm1 7.933 ppm2 4.101 CV 1 ASSI { 224} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HD1 )) 3.100 3.100 2.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 7.937 ppm2 3.429 CV 1 ASSI { 225} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.300 2.300 3.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14451E-01 ppm1 7.938 ppm2 3.091 CV 1 ASSI { 226} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.500 2.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.96667E-03 ppm1 7.938 ppm2 2.731 CV 1 ASSI { 227} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.400 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12340E-02 ppm1 7.936 ppm2 1.388 CV 1 ASSI { 228} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.27732E-02 ppm1 7.935 ppm2 0.161 CV 1 ASSI { 229} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HZ2 )) 4.100 2.100 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.84771E-03 ppm1 7.929 ppm2 7.395 CV 1 ASSI { 230} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.600 3.600 2.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.38961E-03 ppm1 7.931 ppm2 1.883 CV 1 ASSI { 231} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HN )) 4.500 2.700 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.33497E-03 ppm1 8.857 ppm2 8.872 CV 1 ASSI { 232} (( segid " " and resid 43 and name HN )) ( segid " " and resid 45 and name HG2%) 5.600 3.900 0.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.17889E-03 ppm1 7.925 ppm2 0.447 CV 1 ASSI { 233} (( segid " " and resid 14 and name HN )) (( segid " " and resid 25 and name HD1%)) 4.500 2.700 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.33497E-03 ppm1 8.857 ppm2 0.809 CV 1 ASSI { 235} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 235 spectrum 1 weight 0.10000E+01 volume 0.30157E-02 ppm1 7.760 ppm2 4.721 CV 1 ASSI { 236} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.900 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.24484E-02 ppm1 7.755 ppm2 2.997 CV 1 ASSI { 237} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.200 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.50640E-02 ppm1 7.754 ppm2 3.460 CV 1 ASSI { 238} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HG1 )) 5.500 3.700 0.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.33980E-04 ppm1 7.751 ppm2 2.514 CV 1 ASSI { 239} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HD1 )) 4.500 2.500 1.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11869E-02 ppm1 7.752 ppm2 1.497 CV 1 ASSI { 240} (( segid " " and resid 39 and name HN )) ( segid " " and resid 34 and name HG2%) 3.700 1.800 1.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15033E-02 ppm1 7.750 ppm2 1.186 CV 1 ASSI { 241} (( segid " " and resid 39 and name HN )) ( segid " " and resid 84 and name HG2%) 4.000 2.000 2.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 7.752 ppm2 0.118 CV 1 ASSI { 243} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HA )) 3.400 3.400 2.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.53719E-03 ppm1 7.385 ppm2 4.868 CV 1 ASSI { 244} (( segid " " and resid 29 and name HN )) (( segid " " and resid 95 and name HB1 )) 4.400 4.400 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 7.387 ppm2 1.860 CV 1 ASSI { 245} (( segid " " and resid 29 and name HN )) ( segid " " and resid 27 and name HG2%) 5.500 3.800 0.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.32144E-04 ppm1 7.396 ppm2 1.144 CV 1 ASSI { 246} (( segid " " and resid 29 and name HN )) ( segid " " and resid 92 and name HD1%) 5.100 3.300 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.30000E-03 ppm1 7.386 ppm2 0.708 CV 1 ASSI { 247} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.100 1.100 peak 247 spectrum 1 weight 0.10000E+01 volume 0.39457E-02 ppm1 7.385 ppm2 4.509 CV 1 ASSI { 248} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA1 )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.20843E-02 ppm1 7.385 ppm2 4.106 CV 1 ASSI { 249} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HA )) 3.600 1.600 1.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 7.382 ppm2 3.809 CV 1 ASSI { 250} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 3.400 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.32039E-02 ppm1 7.384 ppm2 3.597 CV 1 ASSI { 251} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.500 2.700 1.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.24484E-02 ppm1 7.755 ppm2 1.505 CV 1 ASSI { 252} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.700 3.700 2.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10026E-02 ppm1 7.382 ppm2 2.917 CV 1 ASSI { 253} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HB1 )) 5.200 3.300 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.21961E-03 ppm1 7.388 ppm2 2.166 CV 1 ASSI { 254} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HB% ) 2.400 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.12837E-01 ppm1 7.383 ppm2 1.370 CV 1 ASSI { 255} (( segid " " and resid 17 and name HN )) (( segid " " and resid 68 and name HA )) 6.000 5.000 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.12791E-03 ppm1 9.620 ppm2 4.433 CV 1 ASSI { 256} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.500 2.700 1.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.24484E-02 ppm1 7.755 ppm2 1.812 CV 1 ASSI { 257} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.200 2.200 1.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.90327E-03 ppm1 9.613 ppm2 2.528 CV 1 ASSI { 258} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.000 2.000 2.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 9.611 ppm2 1.136 CV 1 ASSI { 259} (( segid " " and resid 14 and name HN )) ( segid " " and resid 21 and name HD% ) 6.000 4.600 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10797E-03 ppm1 8.865 ppm2 7.424 CV 1 ASSI { 260} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.500 2.700 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.44183E-03 ppm1 8.899 ppm2 3.033 CV 1 ASSI { 261} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.500 2.600 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10176E-03 ppm1 7.933 ppm2 2.340 CV 1 ASSI { 262} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 2.500 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.72745E-02 ppm1 8.096 ppm2 4.152 CV 1 ASSI { 263} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.500 2.700 1.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.44183E-03 ppm1 8.899 ppm2 2.808 CV 1 ASSI { 264} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 4.800 2.900 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.19288E-03 ppm1 9.615 ppm2 2.273 CV 1 ASSI { 265} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 3.400 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14373E-02 ppm1 9.612 ppm2 8.957 CV 1 ASSI { 266} (( segid " " and resid 17 and name HN )) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.95948E-03 ppm1 9.611 ppm2 8.558 CV 1 ASSI { 267} (( segid " " and resid 17 and name HN )) (( segid " " and resid 70 and name HA )) 4.300 2.400 1.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.88301E-03 ppm1 9.616 ppm2 6.170 CV 1 ASSI { 268} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.44118E-02 ppm1 9.608 ppm2 5.299 CV 1 ASSI { 269} (( segid " " and resid 17 and name HN )) (( segid " " and resid 69 and name HA )) 5.200 3.300 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.33791E-03 ppm1 9.608 ppm2 5.023 CV 1 ASSI { 270} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA )) 4.500 2.700 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.603 ppm2 4.638 CV 1 ASSI { 271} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.600 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.50928E-02 ppm1 9.609 ppm2 4.159 CV 1 ASSI { 272} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.17948E-02 ppm1 9.612 ppm2 2.894 CV 1 ASSI { 273} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HB2 ) 4.500 2.700 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 9.399 ppm2 2.836 CV 1 ASSI { 274} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HD2%) 4.100 2.100 1.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11673E-02 ppm1 9.607 ppm2 0.823 CV 1 ASSI { 275} (( segid " " and resid 21 and name HN )) (( segid " " and resid 14 and name HN )) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 9.422 ppm2 8.856 CV 1 ASSI { 276} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HD% ) 4.200 2.200 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 9.421 ppm2 7.477 CV 1 ASSI { 277} (( segid " " and resid 21 and name HN )) (( segid " " and resid 70 and name HD1 )) 5.200 3.400 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.19353E-03 ppm1 9.425 ppm2 6.716 CV 1 ASSI { 278} (( segid " " and resid 21 and name HN )) (( segid " " and resid 15 and name HA )) 3.600 1.600 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 9.423 ppm2 5.356 CV 1 ASSI { 279} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.400 1.400 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 9.424 ppm2 4.676 CV 1 ASSI { 280} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.300 0.600 0.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.79346E-02 ppm1 9.423 ppm2 4.023 CV 1 ASSI { 281} (( segid " " and resid 21 and name HN )) (( segid " " and resid 15 and name HB1 )) 6.000 5.100 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.16941E-03 ppm1 9.429 ppm2 3.273 CV 1 ASSI { 282} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 2.900 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.35667E-02 ppm1 9.423 ppm2 2.987 CV 1 ASSI { 283} (( segid " " and resid 21 and name HN )) (( segid " " and resid 13 and name HB )) 4.600 2.700 1.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.65359E-03 ppm1 9.418 ppm2 3.756 CV 1 ASSI { 284} (( segid " " and resid 21 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.500 2.700 1.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.19353E-03 ppm1 9.425 ppm2 1.339 CV 1 ASSI { 285} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.700 2.700 3.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.65268E-02 ppm1 9.420 ppm2 1.439 CV 1 ASSI { 286} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HE% ) 4.600 2.700 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.70196E-03 ppm1 9.421 ppm2 0.752 CV 1 ASSI { 287} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.19418E-02 ppm1 7.711 ppm2 3.873 CV 1 ASSI { 288} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HD1%)) 4.500 2.700 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.19353E-03 ppm1 9.425 ppm2 0.409 CV 1 ASSI { 289} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 3.000 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.43353E-02 ppm1 7.712 ppm2 4.646 CV 1 ASSI { 290} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB1 )) 3.500 1.600 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 7.713 ppm2 3.138 CV 1 ASSI { 291} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HN )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.29856E-02 ppm1 9.050 ppm2 8.333 CV 1 ASSI { 292} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HD1%) 3.700 1.700 1.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 9.044 ppm2 0.765 CV 1 ASSI { 293} (( segid " " and resid 12 and name HN )) ( segid " " and resid 14 and name HD2%) 5.700 5.700 0.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.18765E-03 ppm1 9.031 ppm2 0.309 CV 1 ASSI { 294} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 4.500 2.700 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.19353E-03 ppm1 9.425 ppm2 1.581 CV 1 ASSI { 295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 82 and name HA )) 4.500 2.700 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.76536E-02 ppm1 8.951 ppm2 4.452 CV 1 ASSI { 296} (( segid " " and resid 32 and name HN )) (( segid " " and resid 92 and name HB2 )) 4.500 2.700 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.76536E-02 ppm1 8.951 ppm2 1.098 CV 1 ASSI { 297} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.76536E-02 ppm1 8.951 ppm2 4.430 CV 1 ASSI { 298} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB )) 2.600 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.67582E-02 ppm1 8.949 ppm2 4.064 CV 1 ASSI { 299} (( segid " " and resid 32 and name HN )) (( segid " " and resid 94 and name HA2 )) 4.400 2.500 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.26059E-03 ppm1 8.957 ppm2 3.237 CV 1 ASSI { 300} (( segid " " and resid 78 and name HN )) (( segid " " and resid 69 and name HG2%)) 4.500 2.700 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 0.981 CV 1 ASSI { 301} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB )) 4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 8.951 ppm2 2.015 CV 1 ASSI { 302} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HG2%) 3.200 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 8.949 ppm2 1.370 CV 1 ASSI { 303} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HG2%) 3.500 1.600 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 8.948 ppm2 0.784 CV 1 ASSI { 304} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HG1%) 4.500 2.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.87189E-03 ppm1 8.945 ppm2 0.553 CV 1 ASSI { 305} (( segid " " and resid 32 and name HN )) (( segid " " and resid 94 and name HA1 )) 6.000 6.000 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.28516E-04 ppm1 8.945 ppm2 4.971 CV 1 ASSI { 306} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HG11)) 4.500 2.700 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.16216E-03 ppm1 8.241 ppm2 1.422 CV 1 ASSI { 307} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HD1 )) 4.500 2.700 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16216E-03 ppm1 8.241 ppm2 3.734 CV 1 ASSI { 308} (( segid " " and resid 65 and name HN )) (( segid " " and resid 45 and name HB )) 4.200 2.200 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.603 ppm2 1.406 CV 1 ASSI { 309} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 5.400 3.600 0.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.22739E-03 ppm1 8.602 ppm2 7.900 CV 1 ASSI { 310} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 2.600 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.40915E-02 ppm1 8.598 ppm2 7.339 CV 1 ASSI { 311} (( segid " " and resid 65 and name HN )) (( segid " " and resid 39 and name HD1 )) 4.700 2.800 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.46477E-03 ppm1 8.598 ppm2 6.649 CV 1 ASSI { 312} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.300 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.10876E-01 ppm1 8.597 ppm2 4.217 CV 1 ASSI { 313} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.500 1.500 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 8.600 ppm2 3.697 CV 1 ASSI { 314} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.200 1.300 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34529E-02 ppm1 8.597 ppm2 3.538 CV 1 ASSI { 315} (( segid " " and resid 65 and name HN )) ( segid " " and resid 46 and name HG2%) 3.300 3.300 2.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.64484E-03 ppm1 8.596 ppm2 1.070 CV 1 ASSI { 316} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14268E-01 ppm1 8.239 ppm2 4.217 CV 1 ASSI { 317} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HD2 )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.16216E-03 ppm1 8.241 ppm2 3.477 CV 1 ASSI { 318} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 4.500 2.700 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16216E-03 ppm1 8.241 ppm2 4.263 CV 1 ASSI { 319} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16614E-01 ppm1 8.240 ppm2 1.344 CV 1 ASSI { 320} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD2%) 3.800 1.800 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.17477E-02 ppm1 8.239 ppm2 0.471 CV 1 ASSI { 321} (( segid " " and resid 12 and name HN )) (( segid " " and resid 22 and name HA )) 5.700 4.100 0.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.15359E-03 ppm1 9.054 ppm2 5.381 CV 1 ASSI { 322} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.58078E-02 ppm1 9.043 ppm2 5.077 CV 1 ASSI { 323} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.400 1.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 9.043 ppm2 4.690 CV 1 ASSI { 324} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HA1 )) 5.200 3.400 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.24837E-03 ppm1 9.039 ppm2 4.181 CV 1 ASSI { 325} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.600 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.28980E-02 ppm1 9.043 ppm2 3.699 CV 1 ASSI { 326} (( segid " " and resid 12 and name HN )) (( segid " " and resid 25 and name HB )) 5.300 3.600 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.17993E-03 ppm1 9.043 ppm2 1.752 CV 1 OR { 326} (( segid " " and resid 12 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 327} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.300 1.300 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 9.044 ppm2 1.447 CV 1 ASSI { 328} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HA2 )) 5.800 4.200 0.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18804E-03 ppm1 9.045 ppm2 2.687 CV 1 ASSI { 329} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG )) 3.900 1.900 1.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.86863E-03 ppm1 9.038 ppm2 1.086 CV 1 ASSI { 330} (( segid " " and resid 65 and name HN )) (( segid " " and resid 45 and name HA )) 2.600 2.600 3.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 8.595 ppm2 4.917 CV 1 ASSI { 331} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.600 1.700 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.94444E-03 ppm1 8.597 ppm2 3.996 CV 1 ASSI { 332} (( segid " " and resid 65 and name HN )) ( segid " " and resid 45 and name HG2%) 3.500 1.500 1.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 8.595 ppm2 0.455 CV 1 ASSI { 333} (( segid " " and resid 65 and name HN )) ( segid " " and resid 84 and name HG1%) 6.000 6.000 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.28471E-04 ppm1 8.601 ppm2 0.144 CV 1 ASSI { 334} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.38843E-02 ppm1 8.239 ppm2 1.933 CV 1 ASSI { 335} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.200 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.17902E-01 ppm1 8.239 ppm2 4.621 CV 1 ASSI { 336} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.800 1.800 1.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31248E-02 ppm1 8.227 ppm2 2.672 CV 1 ASSI { 337} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 6.000 5.100 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.90980E-04 ppm1 9.417 ppm2 8.543 CV 1 ASSI { 338} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HD% ) 4.700 2.700 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.32647E-03 ppm1 9.409 ppm2 6.981 CV 1 ASSI { 339} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 5.600 4.000 0.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.16144E-03 ppm1 9.404 ppm2 8.754 CV 1 ASSI { 340} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HE% ) 4.200 2.200 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15941E-03 ppm1 9.399 ppm2 6.740 CV 1 ASSI { 341} (( segid " " and resid 68 and name HN )) (( segid " " and resid 79 and name HA )) 5.700 4.100 0.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14575E-03 ppm1 9.400 ppm2 5.857 CV 1 ASSI { 342} (( segid " " and resid 68 and name HN )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 9.404 ppm2 4.641 CV 1 ASSI { 343} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.200 1.200 1.200 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 9.403 ppm2 4.401 CV 1 ASSI { 344} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.200 0.600 0.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.11621E-01 ppm1 9.404 ppm2 4.096 CV 1 ASSI { 345} (( segid " " and resid 68 and name HN )) (( segid " " and resid 82 and name HD1 )) 6.000 4.900 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12320E-03 ppm1 9.400 ppm2 3.392 CV 1 ASSI { 346} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.500 1.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.20961E-02 ppm1 9.404 ppm2 2.716 CV 1 ASSI { 347} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.77255E-02 ppm1 9.404 ppm2 1.677 CV 1 ASSI { 348} (( segid " " and resid 68 and name HN )) (( segid " " and resid 81 and name HB1 )) 6.000 5.900 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.15242E-03 ppm1 9.399 ppm2 1.381 CV 1 ASSI { 349} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HD2%) 3.300 1.400 1.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.27065E-02 ppm1 9.403 ppm2 0.897 CV 1 ASSI { 350} (( segid " " and resid 68 and name HN )) ( segid " " and resid 79 and name HD1%) 3.900 1.900 1.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.83399E-03 ppm1 9.404 ppm2 0.473 CV 1 ASSI { 351} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HD1%) 3.900 1.900 1.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 9.405 ppm2 0.141 CV 1 ASSI { 352} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 4.500 2.700 1.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 3.287 CV 1 ASSI { 354} (( segid " " and resid 19 and name HN )) ( segid " " and resid 16 and name HD1%) 6.000 6.000 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.33150E-04 ppm1 8.772 ppm2 0.390 CV 1 ASSI { 355} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 5.100 3.300 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.28739E-03 ppm1 8.761 ppm2 8.528 CV 1 ASSI { 356} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HE1 )) 3.600 3.600 2.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.35863E-02 ppm1 8.761 ppm2 7.430 CV 1 ASSI { 357} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HD1 )) 4.500 2.700 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.10863E-03 ppm1 8.770 ppm2 6.741 CV 1 ASSI { 358} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) 4.500 2.700 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10863E-03 ppm1 8.770 ppm2 9.641 CV 1 ASSI { 359} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.400 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 8.760 ppm2 5.343 CV 1 ASSI { 360} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.500 3.500 2.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.46484E-03 ppm1 8.764 ppm2 2.277 CV 1 ASSI { 361} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.800 2.800 3.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.63020E-02 ppm1 8.762 ppm2 2.046 CV 1 ASSI { 362} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG1 )) 3.200 1.300 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.20987E-02 ppm1 8.763 ppm2 1.354 CV 1 ASSI { 363} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG2 )) 3.900 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.92418E-03 ppm1 8.757 ppm2 1.148 CV 1 ASSI { 364} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.400 1.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.15471E-02 ppm1 8.758 ppm2 4.268 CV 1 ASSI { 365} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 6.000 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.44967E-04 ppm1 8.762 ppm2 4.027 CV 1 ASSI { 366} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) 4.300 2.300 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.11190E-02 ppm1 8.761 ppm2 3.070 CV 1 ASSI { 367} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12804E-02 ppm1 8.762 ppm2 2.792 CV 1 ASSI { 368} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HB2 )) 5.200 3.300 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.42516E-03 ppm1 8.758 ppm2 2.561 CV 1 ASSI { 369} (( segid " " and resid 19 and name HN )) ( segid " " and resid 20 and name HE% ) 6.000 6.000 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.37706E-04 ppm1 8.754 ppm2 1.763 CV 1 ASSI { 370} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.41379E-02 ppm1 8.339 ppm2 7.897 CV 1 ASSI { 371} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.14183E-01 ppm1 8.339 ppm2 4.467 CV 1 ASSI { 372} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.29810E-02 ppm1 8.341 ppm2 4.076 CV 1 ASSI { 373} (( segid " " and resid 49 and name HN )) (( segid " " and resid 59 and name HB1 )) 5.400 5.400 0.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.11784E-03 ppm1 8.332 ppm2 2.666 CV 1 ASSI { 374} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) 2.500 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.74444E-02 ppm1 8.340 ppm2 1.535 CV 1 ASSI { 375} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG2%) 4.000 2.000 2.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10072E-02 ppm1 8.337 ppm2 1.081 CV 1 ASSI { 376} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HD1%) 3.700 1.700 1.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.18477E-02 ppm1 8.340 ppm2 0.802 CV 1 ASSI { 377} (( segid " " and resid 47 and name HN )) (( segid " " and resid 62 and name HA )) 5.900 4.300 0.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.88235E-04 ppm1 8.188 ppm2 4.844 CV 1 ASSI { 378} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.11490E-01 ppm1 8.191 ppm2 4.621 CV 1 ASSI { 379} (( segid " " and resid 47 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.800 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.40274E-04 ppm1 8.179 ppm2 3.602 CV 1 OR { 379} (( segid " " and resid 104 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 380} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.600 1.700 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.16091E-02 ppm1 8.189 ppm2 2.675 CV 1 ASSI { 381} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.44157E-02 ppm1 8.190 ppm2 2.461 CV 1 ASSI { 382} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG2%) 3.500 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 8.185 ppm2 1.069 CV 1 ASSI { 383} (( segid " " and resid 16 and name HN )) (( segid " " and resid 20 and name HA )) 4.900 3.000 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 4.004 CV 1 ASSI { 384} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 6.000 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.32163E-04 ppm1 9.651 ppm2 4.289 CV 1 ASSI { 385} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.500 2.700 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 1.606 CV 1 ASSI { 386} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 2.500 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.62889E-02 ppm1 8.600 ppm2 4.745 CV 1 ASSI { 387} (( segid " " and resid 93 and name HN )) (( segid " " and resid 25 and name HA )) 4.400 2.400 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.82484E-03 ppm1 8.608 ppm2 3.987 CV 1 ASSI { 388} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB1 )) 4.100 2.100 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 8.606 ppm2 1.583 CV 1 ASSI { 389} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 4.100 2.100 1.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.86536E-03 ppm1 8.604 ppm2 1.130 CV 1 ASSI { 390} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HD1%) 2.600 2.600 3.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.29085E-02 ppm1 8.604 ppm2 0.748 CV 1 ASSI { 391} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.74902E-03 ppm1 8.604 ppm2 5.069 CV 1 ASSI { 392} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 8.605 ppm2 3.007 CV 1 ASSI { 393} (( segid " " and resid 49 and name HN )) (( segid " " and resid 59 and name HA )) 4.300 2.300 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.78823E-03 ppm1 8.334 ppm2 4.730 CV 1 ASSI { 394} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 3.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.19654E-02 ppm1 8.186 ppm2 7.740 CV 1 ASSI { 395} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HN )) 4.500 2.600 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.11810E-03 ppm1 8.188 ppm2 7.449 CV 1 ASSI { 396} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.47026E-02 ppm1 8.183 ppm2 4.371 CV 1 ASSI { 397} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.54608E-02 ppm1 8.183 ppm2 4.123 CV 1 ASSI { 398} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HG1 )) 4.500 2.500 1.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.13399E-03 ppm1 8.186 ppm2 2.179 CV 1 OR { 398} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HB1 )) ASSI { 399} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG1 )) 2.700 2.700 3.300 peak 399 spectrum 1 weight 0.10000E+01 volume 0.88170E-02 ppm1 8.187 ppm2 1.941 CV 1 ASSI { 400} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 3.100 1.200 1.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.20647E-02 ppm1 8.186 ppm2 1.724 CV 1 ASSI { 401} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 3.300 1.400 1.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27536E-02 ppm1 8.186 ppm2 0.777 CV 1 ASSI { 402} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.100 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.13229E-01 ppm1 7.932 ppm2 5.056 CV 1 ASSI { 403} (( segid " " and resid 85 and name HN )) (( segid " " and resid 63 and name HA )) 3.300 3.300 2.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28941E-02 ppm1 7.936 ppm2 4.522 CV 1 ASSI { 404} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HD1 )) 4.300 2.300 1.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.90719E-03 ppm1 7.934 ppm2 3.734 CV 1 ASSI { 405} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB )) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.76340E-02 ppm1 7.933 ppm2 1.647 CV 1 ASSI { 406} (( segid " " and resid 85 and name HN )) ( segid " " and resid 34 and name HG2%) 4.200 2.200 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.16699E-03 ppm1 7.931 ppm2 1.125 CV 1 ASSI { 407} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 3.200 1.300 1.300 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 7.929 ppm2 4.826 CV 1 ASSI { 408} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.500 2.700 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 3.287 CV 1 ASSI { 409} (( segid " " and resid 85 and name HN )) (( segid " " and resid 33 and name HB )) 4.100 2.100 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.21020E-02 ppm1 7.922 ppm2 1.421 CV 1 ASSI { 410} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HG2%) 3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.14647E-02 ppm1 7.932 ppm2 0.944 CV 1 ASSI { 411} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HD1%) 3.300 1.400 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.24850E-02 ppm1 7.930 ppm2 0.768 CV 1 ASSI { 412} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG2%) 3.700 1.700 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.32222E-02 ppm1 7.931 ppm2 0.114 CV 1 ASSI { 413} (( segid " " and resid 16 and name HN )) (( segid " " and resid 71 and name HN )) 5.500 3.800 0.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.15562E-03 ppm1 9.660 ppm2 9.040 CV 1 ASSI { 414} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.45189E-02 ppm1 9.660 ppm2 8.775 CV 1 ASSI { 415} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HE1 )) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.35739E-02 ppm1 9.659 ppm2 7.441 CV 1 ASSI { 416} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.200 2.200 3.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.13484E-01 ppm1 9.656 ppm2 5.345 CV 1 ASSI { 417} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.700 1.700 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.67255E-03 ppm1 9.657 ppm2 2.737 CV 1 ASSI { 418} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.700 1.700 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 9.658 ppm2 2.278 CV 1 ASSI { 419} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HB1 )) 4.100 2.200 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.75621E-03 ppm1 9.656 ppm2 2.018 CV 1 ASSI { 420} (( segid " " and resid 16 and name HN )) (( segid " " and resid 20 and name HB1 )) 4.900 3.000 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 9.659 ppm2 1.587 CV 1 ASSI { 421} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.69804E-03 ppm1 9.656 ppm2 1.149 CV 1 ASSI { 422} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD2%) 4.600 2.700 1.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.44006E-03 ppm1 9.653 ppm2 0.850 CV 1 ASSI { 423} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.700 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.94706E-04 ppm1 9.657 ppm2 4.798 CV 1 ASSI { 424} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 5.000 3.100 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.63699E-03 ppm1 9.652 ppm2 3.267 CV 1 ASSI { 425} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HB1 )) 5.500 3.800 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10824E-03 ppm1 9.651 ppm2 2.993 CV 1 ASSI { 426} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD1%) 4.600 2.700 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21438E-03 ppm1 9.651 ppm2 0.410 CV 1 ASSI { 427} (( segid " " and resid 30 and name HN )) (( segid " " and resid 94 and name HA1 )) 4.900 3.000 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10261E-03 ppm1 8.847 ppm2 5.006 CV 1 ASSI { 428} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB )) 6.000 6.000 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.32471E-04 ppm1 8.857 ppm2 2.104 CV 1 ASSI { 429} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HG1%) 5.700 4.100 0.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.30176E-03 ppm1 8.857 ppm2 0.566 CV 1 ASSI { 430} (( segid " " and resid 85 and name HN )) ( segid " " and resid 45 and name HD1%) 5.600 3.900 0.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11621E-03 ppm1 7.929 ppm2 0.407 CV 1 ASSI { 431} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG1%) 4.400 2.400 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.69346E-03 ppm1 7.928 ppm2 -0.644 CV 1 ASSI { 432} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 4.500 2.700 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 2.763 CV 1 ASSI { 433} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.37765E-02 ppm1 8.853 ppm2 7.346 CV 1 ASSI { 434} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.300 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.83464E-02 ppm1 8.852 ppm2 4.524 CV 1 ASSI { 435} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.100 1.200 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.21320E-02 ppm1 8.854 ppm2 4.265 CV 1 ASSI { 436} (( segid " " and resid 67 and name HN )) (( segid " " and resid 81 and name HA )) 4.500 2.700 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.40320E-04 ppm1 8.775 ppm2 4.655 CV 1 ASSI { 437} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.44889E-02 ppm1 8.853 ppm2 2.619 CV 1 ASSI { 438} (( segid " " and resid 30 and name HN )) ( segid " " and resid 29 and name HB% ) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.47516E-02 ppm1 8.852 ppm2 1.372 CV 1 ASSI { 439} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HG2%) 6.000 5.000 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16000E-03 ppm1 8.857 ppm2 0.793 CV 1 ASSI { 440} (( segid " " and resid 30 and name HN )) (( segid " " and resid 95 and name HB1 )) 5.100 3.200 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.19614E-03 ppm1 8.864 ppm2 1.893 CV 1 ASSI { 441} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HN )) 4.900 3.000 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.26889E-03 ppm1 8.264 ppm2 7.987 CV 1 ASSI { 442} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.100 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.13601E-01 ppm1 8.248 ppm2 5.257 CV 1 ASSI { 443} (( segid " " and resid 72 and name HN )) ( segid " " and resid 14 and name HD2%) 4.700 2.800 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.35418E-03 ppm1 8.249 ppm2 0.285 CV 1 ASSI { 444} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HA )) 4.900 2.900 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.47366E-03 ppm1 8.252 ppm2 4.144 CV 1 ASSI { 445} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HB1 )) 5.100 3.200 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.26784E-03 ppm1 8.245 ppm2 3.291 CV 1 ASSI { 446} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.400 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.16033E-02 ppm1 8.246 ppm2 1.744 CV 1 ASSI { 447} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB )) 2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.80327E-02 ppm1 8.548 ppm2 1.746 CV 1 ASSI { 448} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25725E-02 ppm1 8.554 ppm2 0.642 CV 1 ASSI { 449} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.32654E-02 ppm1 8.248 ppm2 2.682 CV 1 ASSI { 450} (( segid " " and resid 72 and name HN )) ( segid " " and resid 14 and name HD1%) 6.000 5.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.35889E-04 ppm1 8.247 ppm2 -0.518 CV 1 ASSI { 451} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.38157E-02 ppm1 8.258 ppm2 3.653 CV 1 ASSI { 452} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HD1 )) 4.500 2.700 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 6.774 CV 1 ASSI { 453} (( segid " " and resid 5 and name HN )) (( segid " " and resid 12 and name HB1 )) 4.500 2.700 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.20876E-02 ppm1 8.220 ppm2 1.463 CV 1 ASSI { 454} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20876E-02 ppm1 8.220 ppm2 4.061 CV 1 ASSI { 455} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.700 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.34131E-02 ppm1 7.911 ppm2 4.509 CV 1 ASSI { 456} (( segid " " and resid 88 and name HN )) (( segid " " and resid 86 and name HA )) 3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 7.908 ppm2 4.692 CV 1 ASSI { 457} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 3.200 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.22085E-02 ppm1 7.906 ppm2 4.215 CV 1 ASSI { 458} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HD1 )) 2.800 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.18216E-02 ppm1 7.905 ppm2 3.754 CV 1 ASSI { 459} (( segid " " and resid 88 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.800 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 7.908 ppm2 1.846 CV 1 ASSI { 460} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.100 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.44085E-02 ppm1 7.906 ppm2 1.585 CV 1 ASSI { 461} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG )) 5.800 4.200 0.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19654E-03 ppm1 7.905 ppm2 1.030 CV 1 ASSI { 462} (( segid " " and resid 88 and name HN )) ( segid " " and resid 85 and name HD1%) 2.800 2.800 3.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.17928E-02 ppm1 7.906 ppm2 0.744 CV 1 ASSI { 463} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) 3.600 1.600 1.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.12301E-02 ppm1 7.904 ppm2 2.837 CV 1 ASSI { 464} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.83856E-02 ppm1 7.901 ppm2 1.314 CV 1 ASSI { 465} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HE3 )) 4.500 2.700 1.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 7.445 CV 1 ASSI { 466} (( segid " " and resid 25 and name HN )) (( segid " " and resid 10 and name HA )) 4.800 2.900 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10908E-03 ppm1 8.555 ppm2 4.467 CV 1 ASSI { 467} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 3.700 1.700 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.68170E-03 ppm1 8.548 ppm2 3.987 CV 1 ASSI { 468} (( segid " " and resid 25 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.700 3.700 2.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.34294E-03 ppm1 8.548 ppm2 3.697 CV 1 ASSI { 469} (( segid " " and resid 25 and name HN )) (( segid " " and resid 10 and name HB1 )) 5.100 3.200 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.39941E-03 ppm1 8.555 ppm2 2.011 CV 1 ASSI { 470} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.900 1.900 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.24020E-02 ppm1 8.551 ppm2 1.475 CV 1 ASSI { 471} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.300 0.600 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.85229E-02 ppm1 8.544 ppm2 4.952 CV 1 ASSI { 472} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.300 1.400 1.400 peak 472 spectrum 1 weight 0.10000E+01 volume 0.16353E-02 ppm1 8.545 ppm2 1.243 CV 1 ASSI { 473} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HA )) 4.600 2.600 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.10843E-03 ppm1 8.651 ppm2 4.243 CV 1 ASSI { 474} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HN )) 5.900 4.300 0.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.11503E-03 ppm1 8.310 ppm2 7.689 CV 1 ASSI { 475} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 1.900 0.400 0.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.22987E-01 ppm1 8.299 ppm2 4.238 CV 1 ASSI { 476} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.12091E-01 ppm1 8.306 ppm2 1.707 CV 1 ASSI { 477} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.700 1.700 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17085E-02 ppm1 8.303 ppm2 1.470 CV 1 ASSI { 478} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 4.200 2.200 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 8.296 ppm2 0.439 CV 1 ASSI { 479} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HA )) 4.500 2.700 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 4.806 CV 1 ASSI { 480} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 4.300 2.300 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.41359E-03 ppm1 8.666 ppm2 7.758 CV 1 ASSI { 481} (( segid " " and resid 78 and name HN )) (( segid " " and resid 93 and name HE1 )) 4.500 2.700 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 9.447 CV 1 ASSI { 482} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.27425E-02 ppm1 8.664 ppm2 4.799 CV 1 ASSI { 483} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.200 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14497E-01 ppm1 8.660 ppm2 4.538 CV 1 ASSI { 484} (( segid " " and resid 78 and name HN )) (( segid " " and resid 97 and name HA )) 4.500 2.700 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 3.778 CV 1 ASSI { 485} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.500 1.700 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.12752E-01 ppm1 8.666 ppm2 1.580 CV 1 ASSI { 486} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.300 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.23549E-02 ppm1 8.663 ppm2 1.098 CV 1 ASSI { 487} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HD1%) 2.900 2.900 3.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.66013E-02 ppm1 8.665 ppm2 0.731 CV 1 ASSI { 488} (( segid " " and resid 92 and name HN )) ( segid " " and resid 34 and name HD1%) 4.800 2.800 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.36667E-03 ppm1 8.673 ppm2 0.303 CV 1 ASSI { 489} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 8.346 ppm2 4.644 CV 1 ASSI { 490} (( segid " " and resid 51 and name HN )) (( segid " " and resid 58 and name HA )) 3.500 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.24634E-02 ppm1 8.351 ppm2 4.335 CV 1 OR { 490} (( segid " " and resid 51 and name HN )) (( segid " " and resid 58 and name HB2 )) ASSI { 491} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.19085E-01 ppm1 8.348 ppm2 4.115 CV 1 ASSI { 492} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.12346E-01 ppm1 8.344 ppm2 2.673 CV 1 ASSI { 493} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HG2%) 3.400 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.29020E-02 ppm1 8.346 ppm2 0.994 CV 1 ASSI { 494} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 4.300 2.300 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.90850E-03 ppm1 8.344 ppm2 7.883 CV 1 ASSI { 495} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HB1 )) 4.500 2.700 1.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 2.026 CV 1 ASSI { 496} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.200 0.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12954E-01 ppm1 8.209 ppm2 4.364 CV 1 ASSI { 497} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 2.300 0.700 0.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.12072E-01 ppm1 8.202 ppm2 1.937 CV 1 ASSI { 498} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB )) 2.400 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.15248E-01 ppm1 8.220 ppm2 1.790 CV 1 ASSI { 499} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG12)) 3.500 1.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.31059E-02 ppm1 8.222 ppm2 1.111 CV 1 ASSI { 500} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.900 1.900 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 8.216 ppm2 2.178 CV 1 ASSI { 501} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD1%) 3.800 1.800 1.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.46386E-02 ppm1 8.218 ppm2 0.798 CV 1 ASSI { 502} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 76 and name HB1 )) 3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 7.217 ppm2 3.023 CV 1 ASSI { 503} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 76 and name HB2 )) 4.300 2.300 1.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.53784E-03 ppm1 7.218 ppm2 2.733 CV 1 ASSI { 504} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 74 and name HB1 )) 4.100 2.100 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 7.218 ppm2 2.253 CV 1 ASSI { 505} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 74 and name HB2 )) 4.800 2.800 1.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.13961E-02 ppm1 7.218 ppm2 1.952 CV 1 ASSI { 506} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.500 0.800 0.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.97255E-02 ppm1 8.196 ppm2 4.073 CV 1 ASSI { 507} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HA2 )) 3.300 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 8.190 ppm2 3.220 CV 1 ASSI { 508} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.75098E-02 ppm1 8.195 ppm2 2.975 CV 1 ASSI { 509} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HG2 )) 4.500 2.700 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 1.153 CV 1 ASSI { 510} (( segid " " and resid 84 and name HN )) (( segid " " and resid 36 and name HN )) 5.500 3.700 0.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.90980E-04 ppm1 8.173 ppm2 7.701 CV 1 OR { 510} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) ASSI { 511} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HG1%) 3.200 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.39948E-02 ppm1 8.145 ppm2 -0.651 CV 1 ASSI { 512} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HD% ) 5.800 4.200 0.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.91895E-04 ppm1 8.172 ppm2 6.727 CV 1 ASSI { 513} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 4.600 2.700 1.400 peak 513 spectrum 1 weight 0.10000E+01 volume 0.52242E-03 ppm1 8.171 ppm2 6.226 CV 1 ASSI { 514} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20235E-02 ppm1 8.168 ppm2 5.849 CV 1 ASSI { 515} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA1 )) 2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.70065E-02 ppm1 8.164 ppm2 3.776 CV 1 ASSI { 516} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 2.400 2.400 3.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.13850E-01 ppm1 8.162 ppm2 1.433 CV 1 ASSI { 517} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.20680E-02 ppm1 8.165 ppm2 1.144 CV 1 ASSI { 518} (( segid " " and resid 84 and name HN )) ( segid " " and resid 33 and name HG2%) 3.400 1.400 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.22294E-02 ppm1 8.153 ppm2 0.644 CV 1 ASSI { 519} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HD1%) 3.500 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.30830E-02 ppm1 8.159 ppm2 0.472 CV 1 ASSI { 520} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HG2%) 3.800 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.61765E-03 ppm1 8.154 ppm2 0.134 CV 1 ASSI { 521} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 3.100 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 8.146 ppm2 5.059 CV 1 ASSI { 522} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.12183E-01 ppm1 8.143 ppm2 4.788 CV 1 ASSI { 523} (( segid " " and resid 84 and name HN )) (( segid " " and resid 63 and name HA )) 3.400 1.500 1.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.30013E-02 ppm1 8.143 ppm2 4.512 CV 1 ASSI { 524} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.74640E-02 ppm1 8.142 ppm2 2.847 CV 1 ASSI { 525} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB )) 3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.28216E-02 ppm1 8.146 ppm2 0.969 CV 1 ASSI { 526} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) 4.600 2.600 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.31882E-03 ppm1 7.872 ppm2 3.561 CV 1 ASSI { 528} (( segid " " and resid 15 and name HN )) (( segid " " and resid 70 and name HD1 )) 3.900 1.900 1.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.73072E-03 ppm1 8.899 ppm2 6.762 CV 1 ASSI { 529} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.23804E-02 ppm1 8.885 ppm2 5.369 CV 1 ASSI { 530} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.300 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.96209E-02 ppm1 8.898 ppm2 4.664 CV 1 ASSI { 531} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.600 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.41673E-02 ppm1 8.891 ppm2 3.243 CV 1 ASSI { 532} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.500 1.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.71046E-03 ppm1 8.895 ppm2 1.598 CV 1 ASSI { 533} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.300 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.36444E-02 ppm1 8.890 ppm2 1.305 CV 1 ASSI { 534} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD2%) 4.800 2.900 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.81046E-03 ppm1 8.898 ppm2 0.296 CV 1 ASSI { 535} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.300 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 8.891 ppm2 2.705 CV 1 ASSI { 536} (( segid " " and resid 15 and name HN )) ( segid " " and resid 13 and name HG2%) 4.200 2.200 1.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.79673E-03 ppm1 8.884 ppm2 0.776 CV 1 ASSI { 537} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 6.000 6.000 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.40320E-04 ppm1 8.775 ppm2 7.341 CV 1 ASSI { 538} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HD% ) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.36216E-02 ppm1 8.775 ppm2 6.962 CV 1 ASSI { 539} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HN )) 3.500 1.700 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 8.795 CV 1 ASSI { 540} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.100 0.600 0.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.17137E-01 ppm1 8.772 ppm2 4.579 CV 1 ASSI { 541} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.25536E-02 ppm1 8.773 ppm2 4.084 CV 1 ASSI { 542} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.500 2.500 3.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.62000E-02 ppm1 8.772 ppm2 2.781 CV 1 ASSI { 543} (( segid " " and resid 78 and name HN )) (( segid " " and resid 97 and name HB1 )) 4.500 2.700 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 1.485 CV 1 ASSI { 544} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.400 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.54542E-02 ppm1 8.771 ppm2 1.738 CV 1 ASSI { 545} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.400 1.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.29549E-02 ppm1 8.774 ppm2 1.498 CV 1 ASSI { 546} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG1 )) 4.000 2.000 2.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.776 ppm2 1.217 CV 1 ASSI { 547} (( segid " " and resid 67 and name HN )) ( segid " " and resid 69 and name HG2%) 5.300 3.500 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16712E-03 ppm1 8.764 ppm2 0.947 CV 1 ASSI { 548} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HB% )) 4.900 3.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.62176E-03 ppm1 9.658 ppm2 3.024 CV 1 ASSI { 549} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) 4.400 2.400 1.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.88693E-03 ppm1 7.864 ppm2 1.348 CV 1 ASSI { 550} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.300 1.300 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 7.867 ppm2 4.233 CV 1 ASSI { 551} (( segid " " and resid 15 and name HN )) (( segid " " and resid 70 and name HA )) 5.700 4.000 0.300 peak 551 spectrum 1 weight 0.10000E+01 volume 0.20052E-03 ppm1 8.896 ppm2 6.163 CV 1 ASSI { 552} (( segid " " and resid 15 and name HN )) (( segid " " and resid 20 and name HA )) 5.800 4.300 0.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.99346E-04 ppm1 8.898 ppm2 3.981 CV 1 ASSI { 553} (( segid " " and resid 15 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 5.900 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.89935E-04 ppm1 8.894 ppm2 3.527 CV 1 ASSI { 554} (( segid " " and resid 15 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.700 2.700 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 8.890 ppm2 1.771 CV 1 ASSI { 555} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD1%) 5.600 3.900 0.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.23157E-03 ppm1 8.888 ppm2 -0.446 CV 1 ASSI { 556} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 3.300 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.158 ppm2 7.708 CV 1 ASSI { 557} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 3.100 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 8.158 ppm2 7.446 CV 1 ASSI { 558} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.39765E-02 ppm1 8.160 ppm2 4.319 CV 1 ASSI { 559} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.400 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.11706E-01 ppm1 8.155 ppm2 4.122 CV 1 ASSI { 560} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB1 )) 2.500 2.500 3.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.12196E-01 ppm1 8.157 ppm2 1.793 CV 1 ASSI { 561} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11222E-01 ppm1 8.223 ppm2 4.692 CV 1 ASSI { 562} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB1 )) 3.700 1.700 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.19889E-02 ppm1 8.217 ppm2 3.730 CV 1 ASSI { 563} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HA2 ) 4.500 2.700 1.500 peak 563 spectrum 1 weight 0.10000E+01 volume 0.52673E-02 ppm1 8.150 ppm2 3.803 CV 1 ASSI { 564} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 2.900 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.78235E-02 ppm1 8.218 ppm2 2.623 CV 1 ASSI { 565} (( segid " " and resid 79 and name HN )) ( segid " " and resid 97 and name HA ) 4.500 2.700 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.52673E-02 ppm1 8.150 ppm2 3.785 CV 1 ASSI { 566} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 4.500 2.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.22490E-03 ppm1 7.800 ppm2 7.008 CV 1 ASSI { 567} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HA )) 6.000 4.900 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.90719E-04 ppm1 7.801 ppm2 4.794 CV 1 ASSI { 568} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.31575E-02 ppm1 7.789 ppm2 4.537 CV 1 ASSI { 569} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.400 2.400 3.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.14582E-01 ppm1 7.796 ppm2 4.249 CV 1 ASSI { 570} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.32810E-02 ppm1 7.796 ppm2 2.525 CV 1 ASSI { 571} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.400 1.400 1.400 peak 571 spectrum 1 weight 0.10000E+01 volume 0.27379E-02 ppm1 7.796 ppm2 1.750 CV 1 ASSI { 572} (( segid " " and resid 91 and name HN )) (( segid " " and resid 33 and name HB )) 3.600 1.700 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 7.797 ppm2 1.460 CV 1 ASSI { 573} (( segid " " and resid 91 and name HN )) (( segid " " and resid 35 and name HG1 )) 3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.90850E-03 ppm1 7.799 ppm2 1.278 CV 1 ASSI { 574} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HG1%) 3.100 1.200 1.200 peak 574 spectrum 1 weight 0.10000E+01 volume 0.63523E-02 ppm1 7.794 ppm2 0.750 CV 1 ASSI { 575} (( segid " " and resid 57 and name HN )) (( segid " " and resid 52 and name HA )) 4.500 2.700 1.500 peak 575 spectrum 1 weight 0.10000E+01 volume 0.65059E-03 ppm1 8.034 ppm2 3.820 CV 1 ASSI { 576} (( segid " " and resid 91 and name HN )) (( segid " " and resid 35 and name HE1 )) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 7.792 ppm2 2.777 CV 1 ASSI { 577} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB )) 2.600 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.63850E-02 ppm1 7.794 ppm2 1.980 CV 1 ASSI { 578} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HG )) 4.600 2.700 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.92222E-04 ppm1 7.790 ppm2 1.047 CV 1 ASSI { 579} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 579 spectrum 1 weight 0.10000E+01 volume 0.26608E-02 ppm1 7.545 ppm2 4.380 CV 1 ASSI { 580} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) 3.900 1.900 1.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.73464E-03 ppm1 7.545 ppm2 3.593 CV 1 ASSI { 581} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HE2 )) 4.500 2.700 1.500 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 8.221 ppm2 2.648 CV 1 ASSI { 582} (( segid " " and resid 100 and name HN )) (( segid " " and resid 103 and name HB )) 5.500 3.800 0.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.15654E-03 ppm1 7.545 ppm2 1.692 CV 1 ASSI { 583} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG1 )) 3.700 1.700 1.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 8.221 ppm2 2.272 CV 1 ASSI { 584} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB% )) 2.500 2.500 3.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.10837E-01 ppm1 8.220 ppm2 1.913 CV 1 ASSI { 585} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) 4.300 2.300 1.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.65059E-03 ppm1 8.034 ppm2 4.344 CV 1 OR { 585} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HB2 )) ASSI { 586} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 4.200 2.200 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.37882E-03 ppm1 7.540 ppm2 4.146 CV 1 ASSI { 587} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) 4.000 2.000 2.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.56503E-03 ppm1 7.542 ppm2 3.942 CV 1 ASSI { 588} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.600 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.41065E-02 ppm1 7.543 ppm2 2.664 CV 1 ASSI { 589} (( segid " " and resid 79 and name HN )) ( segid " " and resid 97 and name HB1 ) 4.500 2.700 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.52673E-02 ppm1 8.150 ppm2 1.512 CV 1 ASSI { 590} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG1 )) 2.500 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.47333E-02 ppm1 7.539 ppm2 2.184 CV 1 ASSI { 591} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB1 )) 4.900 3.000 1.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.34065E-03 ppm1 7.542 ppm2 1.440 CV 1 ASSI { 593} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 5.000 3.100 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.44183E-03 ppm1 8.899 ppm2 7.725 CV 1 ASSI { 594} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HD21)) 3.400 1.400 1.400 peak 594 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 8.896 ppm2 7.220 CV 1 ASSI { 595} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.900 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.36294E-02 ppm1 8.896 ppm2 4.608 CV 1 ASSI { 596} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.47640E-02 ppm1 8.891 ppm2 3.021 CV 1 ASSI { 597} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.400 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.27444E-02 ppm1 8.891 ppm2 2.749 CV 1 ASSI { 598} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB1 )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.14346E-02 ppm1 8.892 ppm2 2.277 CV 1 ASSI { 599} (( segid " " and resid 76 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.700 2.800 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.15033E-03 ppm1 8.892 ppm2 1.758 CV 1 ASSI { 600} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG1%) 4.500 2.700 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.84706E-03 ppm1 9.350 ppm2 1.394 CV 1 ASSI { 601} (( segid " " and resid 8 and name HN )) ( segid " " and resid 5 and name HD1%) 5.400 3.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.18771E-03 ppm1 8.225 ppm2 0.808 CV 1 ASSI { 602} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.200 0.600 0.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.17941E-01 ppm1 8.218 ppm2 4.212 CV 1 ASSI { 603} (( segid " " and resid 63 and name HN )) (( segid " " and resid 47 and name HA )) 4.500 2.700 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 8.755 ppm2 4.734 CV 1 ASSI { 604} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HB% ) 3.800 1.800 1.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10673E-02 ppm1 8.223 ppm2 1.303 CV 1 ASSI { 605} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 4.900 3.000 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.33941E-03 ppm1 9.068 ppm2 8.270 CV 1 ASSI { 606} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.29673E-02 ppm1 8.892 ppm2 4.139 CV 1 ASSI { 607} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB1 )) 4.200 2.200 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 8.897 ppm2 3.631 CV 1 ASSI { 608} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.500 2.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.61412E-03 ppm1 8.892 ppm2 1.956 CV 1 ASSI { 609} (( segid " " and resid 57 and name HN )) (( segid " " and resid 52 and name HG )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11183E-03 ppm1 8.066 ppm2 0.982 CV 1 ASSI { 610} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.47065E-02 ppm1 8.062 ppm2 4.162 CV 1 ASSI { 611} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA1 )) 3.500 1.700 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.92091E-02 ppm1 8.057 ppm2 3.798 CV 1 ASSI { 612} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.300 1.300 1.300 peak 612 spectrum 1 weight 0.10000E+01 volume 0.33314E-02 ppm1 8.062 ppm2 2.179 CV 1 ASSI { 613} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 613 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 8.062 ppm2 1.899 CV 1 ASSI { 614} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HG12)) 4.200 2.200 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.46346E-03 ppm1 8.065 ppm2 1.247 CV 1 ASSI { 615} (( segid " " and resid 57 and name HN )) ( segid " " and resid 52 and name HD2%) 5.100 3.300 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.34281E-03 ppm1 8.059 ppm2 0.435 CV 1 ASSI { 616} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HD1 )) 4.200 2.200 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15497E-03 ppm1 7.768 ppm2 3.646 CV 1 ASSI { 617} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.100 2.100 3.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17000E-01 ppm1 7.762 ppm2 1.708 CV 1 ASSI { 618} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HB2 )) 4.400 2.400 1.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.12627E-03 ppm1 7.749 ppm2 2.201 CV 1 ASSI { 619} (( segid " " and resid 62 and name HN )) (( segid " " and resid 47 and name HA )) 4.500 2.700 1.500 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15497E-03 ppm1 7.768 ppm2 1.680 CV 1 ASSI { 620} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.200 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11974E-01 ppm1 9.072 ppm2 6.169 CV 1 ASSI { 621} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.600 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.43784E-02 ppm1 9.072 ppm2 5.288 CV 1 ASSI { 622} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HA )) 6.000 6.000 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.32490E-04 ppm1 9.076 ppm2 4.992 CV 1 ASSI { 623} (( segid " " and resid 71 and name HN )) (( segid " " and resid 14 and name HA )) 4.600 2.600 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.69085E-03 ppm1 9.072 ppm2 4.691 CV 1 ASSI { 624} (( segid " " and resid 71 and name HN )) (( segid " " and resid 77 and name HA )) 6.000 6.000 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.27745E-04 ppm1 9.066 ppm2 3.748 CV 1 OR { 624} (( segid " " and resid 71 and name HN )) (( segid " " and resid 78 and name HA2 )) ASSI { 625} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.100 1.200 1.200 peak 625 spectrum 1 weight 0.10000E+01 volume 0.42052E-02 ppm1 9.077 ppm2 3.072 CV 1 ASSI { 626} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.000 2.000 2.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.21608E-02 ppm1 9.073 ppm2 2.579 CV 1 ASSI { 627} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.400 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.22673E-02 ppm1 9.073 ppm2 1.756 CV 1 ASSI { 628} (( segid " " and resid 71 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 9.078 ppm2 1.534 CV 1 ASSI { 629} (( segid " " and resid 71 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 9.073 ppm2 1.302 CV 1 ASSI { 630} (( segid " " and resid 71 and name HN )) (( segid " " and resid 14 and name HG )) 6.000 5.200 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.92353E-04 ppm1 9.073 ppm2 1.016 CV 1 ASSI { 631} (( segid " " and resid 71 and name HN )) ( segid " " and resid 16 and name HD2%) 2.900 2.900 3.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 9.070 ppm2 0.816 CV 1 ASSI { 632} (( segid " " and resid 71 and name HN )) ( segid " " and resid 14 and name HD2%) 4.500 2.500 1.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.57372E-03 ppm1 9.078 ppm2 0.317 CV 1 ASSI { 633} (( segid " " and resid 71 and name HN )) ( segid " " and resid 14 and name HD1%) 4.700 2.800 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.39732E-03 ppm1 9.074 ppm2 -0.459 CV 1 ASSI { 634} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.200 1.300 1.300 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 8.755 ppm2 4.536 CV 1 ASSI { 635} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.900 1.900 1.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.18562E-02 ppm1 8.753 ppm2 1.672 CV 1 ASSI { 636} (( segid " " and resid 63 and name HN )) ( segid " " and resid 85 and name HD1%) 5.500 3.800 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.16739E-03 ppm1 8.755 ppm2 0.756 CV 1 ASSI { 637} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.500 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.68954E-02 ppm1 8.750 ppm2 4.769 CV 1 ASSI { 638} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 5.800 4.200 0.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.79346E-04 ppm1 8.753 ppm2 4.228 CV 1 ASSI { 639} (( segid " " and resid 57 and name HN )) ( segid " " and resid 52 and name HD1%) 4.200 2.200 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 8.054 ppm2 0.698 CV 1 ASSI { 640} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 3.200 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.18967E-02 ppm1 7.769 ppm2 4.790 CV 1 ASSI { 641} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HD1 )) 4.500 2.700 1.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.24484E-02 ppm1 7.755 ppm2 3.513 CV 1 ASSI { 642} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.83006E-02 ppm1 7.774 ppm2 4.385 CV 1 ASSI { 643} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE1 )) 4.800 2.900 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.66274E-03 ppm1 7.765 ppm2 2.853 CV 1 ASSI { 644} (( segid " " and resid 83 and name HN )) (( segid " " and resid 32 and name HB )) 4.500 2.700 1.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.86732E-02 ppm1 8.537 ppm2 4.085 CV 1 ASSI { 645} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HD1%) 3.200 1.300 1.300 peak 645 spectrum 1 weight 0.10000E+01 volume 0.49072E-02 ppm1 7.754 ppm2 0.762 CV 1 ASSI { 646} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 5.400 3.700 0.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.17706E-03 ppm1 9.076 ppm2 8.245 CV 1 ASSI { 647} (( segid " " and resid 63 and name HN )) (( segid " " and resid 48 and name HN )) 3.500 3.500 2.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.49320E-03 ppm1 8.748 ppm2 8.080 CV 1 ASSI { 648} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 5.000 3.100 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.45163E-03 ppm1 8.747 ppm2 7.791 CV 1 ASSI { 649} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.500 2.500 1.500 peak 649 spectrum 1 weight 0.10000E+01 volume 0.34908E-03 ppm1 8.755 ppm2 1.988 CV 1 ASSI { 650} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.200 3.200 2.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.11451E-01 ppm1 8.748 ppm2 1.383 CV 1 ASSI { 651} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) 5.300 3.400 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.18235E-03 ppm1 7.997 ppm2 5.383 CV 1 ASSI { 652} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.98889E-03 ppm1 7.997 ppm2 2.692 CV 1 ASSI { 653} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.97582E-02 ppm1 7.989 ppm2 1.959 CV 1 ASSI { 654} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG1 )) 4.400 2.400 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.51059E-03 ppm1 7.990 ppm2 1.576 CV 1 ASSI { 655} (( segid " " and resid 74 and name HN )) ( segid " " and resid 14 and name HD2%) 6.000 6.000 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.34706E-04 ppm1 7.984 ppm2 0.309 CV 1 ASSI { 656} (( segid " " and resid 74 and name HN )) ( segid " " and resid 14 and name HD1%) 5.500 3.800 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.33196E-04 ppm1 7.981 ppm2 -0.502 CV 1 ASSI { 657} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.66732E-02 ppm1 7.682 ppm2 4.144 CV 1 ASSI { 658} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 4.500 2.700 1.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.66732E-02 ppm1 7.682 ppm2 4.212 CV 1 ASSI { 659} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA2 )) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.39928E-02 ppm1 7.683 ppm2 3.696 CV 1 ASSI { 660} (( segid " " and resid 83 and name HN )) (( segid " " and resid 34 and name HB )) 4.500 2.700 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.86732E-02 ppm1 8.537 ppm2 1.768 CV 1 ASSI { 661} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB )) 3.100 1.200 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.66470E-02 ppm1 7.676 ppm2 1.755 CV 1 ASSI { 662} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HB1 )) 5.500 3.700 0.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.29294E-03 ppm1 7.677 ppm2 1.445 CV 1 ASSI { 663} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG12)) 2.400 0.600 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.26647E-02 ppm1 7.684 ppm2 1.227 CV 1 ASSI { 664} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG11)) 2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.31111E-02 ppm1 7.683 ppm2 0.962 CV 1 ASSI { 665} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HD1%) 3.800 1.800 1.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.51065E-02 ppm1 7.682 ppm2 0.692 CV 1 ASSI { 666} (( segid " " and resid 73 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.600 2.700 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.90784E-04 ppm1 8.913 ppm2 1.273 CV 1 ASSI { 667} (( segid " " and resid 69 and name HN )) (( segid " " and resid 16 and name HA )) 5.400 3.600 0.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.17242E-03 ppm1 8.548 ppm2 5.301 CV 1 ASSI { 668} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 4.500 2.700 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.66732E-02 ppm1 7.682 ppm2 8.403 CV 1 ASSI { 669} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.45268E-03 ppm1 8.550 ppm2 2.566 CV 1 ASSI { 670} (( segid " " and resid 69 and name HN )) (( segid " " and resid 16 and name HB1 )) 6.000 4.700 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.36987E-04 ppm1 8.551 ppm2 2.296 CV 1 ASSI { 671} (( segid " " and resid 69 and name HN )) (( segid " " and resid 93 and name HH2 )) 3.500 3.500 2.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.29758E-02 ppm1 8.542 ppm2 7.116 CV 1 OR { 671} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HE )) ASSI { 672} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.19810E-02 ppm1 8.544 ppm2 5.002 CV 1 ASSI { 673} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 4.500 2.700 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.17242E-03 ppm1 8.548 ppm2 1.693 CV 1 ASSI { 674} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 1.900 0.400 0.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.36791E-01 ppm1 8.544 ppm2 4.459 CV 1 ASSI { 675} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB )) 2.900 1.100 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.66601E-02 ppm1 8.540 ppm2 4.009 CV 1 ASSI { 676} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.86732E-02 ppm1 8.537 ppm2 2.836 CV 1 ASSI { 677} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.500 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.42490E-02 ppm1 8.542 ppm2 1.959 CV 1 ASSI { 678} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HD2%)) 4.500 2.700 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.17242E-03 ppm1 8.548 ppm2 0.775 CV 1 ASSI { 679} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.500 2.700 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.86732E-02 ppm1 8.537 ppm2 1.968 CV 1 ASSI { 680} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG2%) 2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.92810E-02 ppm1 8.540 ppm2 0.751 CV 1 ASSI { 681} (( segid " " and resid 83 and name HN )) ( segid " " and resid 33 and name HD1%) 2.600 0.800 0.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.71046E-02 ppm1 8.543 ppm2 0.761 CV 1 ASSI { 682} (( segid " " and resid 69 and name HN )) ( segid " " and resid 79 and name HD1%) 3.600 1.600 1.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.20163E-02 ppm1 8.543 ppm2 0.555 CV 1 ASSI { 683} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HD1%) 3.600 1.600 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 8.544 ppm2 0.131 CV 1 ASSI { 684} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG1%) 6.000 6.000 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.30693E-04 ppm1 8.545 ppm2 -0.638 CV 1 ASSI { 685} (( segid " " and resid 84 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.500 2.700 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 1.367 CV 1 ASSI { 686} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA1 )) 2.900 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.43307E-02 ppm1 8.281 ppm2 4.132 CV 1 ASSI { 687} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.52039E-02 ppm1 8.280 ppm2 2.637 CV 1 ASSI { 688} (( segid " " and resid 24 and name HN )) (( segid " " and resid 10 and name HB2 )) 6.000 4.700 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18608E-03 ppm1 8.277 ppm2 1.980 CV 1 ASSI { 689} (( segid " " and resid 84 and name HN )) (( segid " " and resid 64 and name HB2 )) 4.500 2.700 1.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 3.646 CV 1 ASSI { 690} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.600 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.61921E-02 ppm1 8.281 ppm2 1.512 CV 1 ASSI { 691} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.200 1.300 1.300 peak 691 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 8.279 ppm2 1.245 CV 1 ASSI { 692} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG )) 4.300 2.300 1.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.40274E-03 ppm1 8.281 ppm2 1.030 CV 1 ASSI { 693} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HD2%) 2.900 1.100 1.100 peak 693 spectrum 1 weight 0.10000E+01 volume 0.41817E-02 ppm1 8.281 ppm2 0.746 CV 1 ASSI { 694} (( segid " " and resid 24 and name HN )) (( segid " " and resid 10 and name HA )) 5.800 4.200 0.200 peak 694 spectrum 1 weight 0.10000E+01 volume 0.25196E-03 ppm1 8.274 ppm2 4.469 CV 1 ASSI { 695} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.600 0.900 0.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.76274E-02 ppm1 7.990 ppm2 4.342 CV 1 ASSI { 696} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13771E-02 ppm1 8.000 ppm2 4.146 CV 1 ASSI { 697} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.82680E-02 ppm1 7.996 ppm2 2.276 CV 1 ASSI { 698} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HD21)) 6.000 4.600 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.17974E-03 ppm1 7.979 ppm2 7.187 CV 1 ASSI { 699} (( segid " " and resid 84 and name HN )) (( segid " " and resid 34 and name HN )) 4.500 2.700 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 8.826 CV 1 ASSI { 700} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.63098E-03 ppm1 7.986 ppm2 3.610 CV 1 ASSI { 701} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) 5.900 4.400 0.100 peak 701 spectrum 1 weight 0.10000E+01 volume 0.20078E-03 ppm1 7.980 ppm2 3.001 CV 1 ASSI { 702} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 3.000 1.100 1.100 peak 702 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 8.917 ppm2 7.989 CV 1 ASSI { 703} (( segid " " and resid 73 and name HN )) (( segid " " and resid 15 and name HD1 )) 3.000 3.000 3.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.11980E-02 ppm1 8.920 ppm2 6.764 CV 1 ASSI { 704} (( segid " " and resid 73 and name HN )) (( segid " " and resid 14 and name HA )) 4.800 2.900 1.200 peak 704 spectrum 1 weight 0.10000E+01 volume 0.20732E-03 ppm1 8.923 ppm2 4.683 CV 1 ASSI { 705} (( segid " " and resid 84 and name HN )) (( segid " " and resid 35 and name HA )) 4.500 2.700 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 4.536 CV 1 ASSI { 706} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.84510E-02 ppm1 8.917 ppm2 3.608 CV 1 ASSI { 707} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.400 1.500 1.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.22235E-02 ppm1 8.918 ppm2 2.674 CV 1 ASSI { 708} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) 5.600 4.000 0.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.22203E-03 ppm1 8.926 ppm2 2.274 CV 1 ASSI { 709} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.300 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11699E-01 ppm1 8.917 ppm2 1.975 CV 1 ASSI { 710} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.000 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.33941E-02 ppm1 8.919 ppm2 1.538 CV 1 ASSI { 711} (( segid " " and resid 73 and name HN )) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.83921E-03 ppm1 8.917 ppm2 0.294 CV 1 ASSI { 712} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 8.916 ppm2 5.410 CV 1 ASSI { 713} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.25288E-02 ppm1 8.918 ppm2 4.171 CV 1 ASSI { 714} (( segid " " and resid 73 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.600 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.40758E-04 ppm1 8.913 ppm2 3.898 CV 1 ASSI { 715} (( segid " " and resid 60 and name HN )) (( segid " " and resid 51 and name HA )) 4.500 2.700 1.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.20098E-01 ppm1 8.400 ppm2 4.641 CV 1 ASSI { 716} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.100 0.500 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.20098E-01 ppm1 8.400 ppm2 4.708 CV 1 ASSI { 717} (( segid " " and resid 84 and name HN )) (( segid " " and resid 36 and name HA )) 4.500 2.700 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 3.782 CV 1 ASSI { 718} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD2 )) 2.900 2.900 3.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.54529E-02 ppm1 8.400 ppm2 3.499 CV 1 ASSI { 719} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 2.700 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.14007E-01 ppm1 8.401 ppm2 2.643 CV 1 ASSI { 720} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB% )) 4.500 2.700 1.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.20098E-01 ppm1 8.400 ppm2 2.641 CV 1 ASSI { 721} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.61196E-03 ppm1 7.455 ppm2 2.404 CV 1 ASSI { 722} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HE% ) 4.600 2.600 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.57301E-03 ppm1 7.459 ppm2 1.423 CV 1 ASSI { 723} (( segid " " and resid 101 and name HN )) ( segid " " and resid 104 and name HE% ) 4.700 2.700 1.300 peak 723 spectrum 1 weight 0.10000E+01 volume 0.40229E-03 ppm1 7.457 ppm2 0.698 CV 1 ASSI { 725} (( segid " " and resid 73 and name HN )) ( segid " " and resid 13 and name HG2%) 4.700 2.800 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.83399E-04 ppm1 8.908 ppm2 0.780 CV 1 OR { 725} (( segid " " and resid 73 and name HN )) ( segid " " and resid 12 and name HD1%) ASSI { 726} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 5.900 4.400 0.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.82222E-04 ppm1 8.457 ppm2 4.048 CV 1 ASSI { 727} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.900 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.37732E-02 ppm1 7.455 ppm2 4.334 CV 1 ASSI { 728} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HA )) 3.800 1.900 1.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.93202E-03 ppm1 7.457 ppm2 4.108 CV 1 ASSI { 729} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 729 spectrum 1 weight 0.10000E+01 volume 0.14863E-02 ppm1 7.457 ppm2 3.573 CV 1 ASSI { 730} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG1 )) 3.300 1.400 1.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.59654E-02 ppm1 7.454 ppm2 2.144 CV 1 ASSI { 732} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HA )) 4.800 2.900 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.18980E-03 ppm1 7.449 ppm2 3.819 CV 1 ASSI { 733} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 4.000 2.000 2.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 7.453 ppm2 2.679 CV 1 ASSI { 734} (( segid " " and resid 101 and name HN )) ( segid " " and resid 97 and name HD1%) 3.300 3.300 2.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 7.451 ppm2 0.539 CV 1 ASSI { 735} (( segid " " and resid 84 and name HN )) (( segid " " and resid 36 and name HG )) 4.500 2.700 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 0.795 CV 1 ASSI { 736} (( segid " " and resid 101 and name HN )) ( segid " " and resid 14 and name HD1%) 4.100 4.100 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.17974E-03 ppm1 7.446 ppm2 -0.487 CV 1 ASSI { 737} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 3.700 1.700 1.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 8.451 ppm2 3.779 CV 1 ASSI { 738} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.800 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.27386E-02 ppm1 8.455 ppm2 3.571 CV 1 ASSI { 739} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 2.000 2.000 4.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.17013E-01 ppm1 8.458 ppm2 1.585 CV 1 ASSI { 740} (( segid " " and resid 98 and name HN )) ( segid " " and resid 97 and name HD1%) 2.500 2.500 3.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.34366E-02 ppm1 8.456 ppm2 0.559 CV 1 ASSI { 741} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 5.900 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.30536E-04 ppm1 8.449 ppm2 7.528 CV 1 ASSI { 742} (( segid " " and resid 98 and name HN )) ( segid " " and resid 25 and name HG2%) 5.400 3.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.42771E-03 ppm1 8.453 ppm2 0.864 CV 1 ASSI { 743} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HD2%) 4.400 2.400 1.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.24843E-03 ppm1 8.445 ppm2 -0.224 CV 1 ASSI { 744} (( segid " " and resid 98 and name HN )) ( segid " " and resid 97 and name HD2%) 6.000 5.300 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.89412E-04 ppm1 8.443 ppm2 -0.494 CV 1 ASSI { 745} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG1 )) 5.000 3.200 1.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.54183E-03 ppm1 7.609 ppm2 2.270 CV 1 ASSI { 746} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.16320E-02 ppm1 7.594 ppm2 4.716 CV 1 ASSI { 747} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.900 1.900 1.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.90588E-03 ppm1 7.599 ppm2 3.988 CV 1 ASSI { 748} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.500 2.700 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.54183E-03 ppm1 7.609 ppm2 1.491 CV 1 ASSI { 749} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.51150E-02 ppm1 7.593 ppm2 3.070 CV 1 ASSI { 750} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.700 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.78758E-02 ppm1 7.594 ppm2 2.826 CV 1 ASSI { 751} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG2 )) 5.300 3.500 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.40209E-03 ppm1 7.596 ppm2 2.524 CV 1 ASSI { 752} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.23000E-02 ppm1 7.597 ppm2 1.911 CV 1 ASSI { 753} (( segid " " and resid 85 and name HN )) ( segid " " and resid 36 and name HG ) 4.500 2.700 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 7.934 ppm2 0.795 CV 1 ASSI { 754} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HG )) 3.300 3.300 2.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.36052E-02 ppm1 7.596 ppm2 1.255 CV 1 ASSI { 755} (( segid " " and resid 38 and name HN )) ( segid " " and resid 36 and name HD2%) 4.500 4.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.67320E-03 ppm1 7.594 ppm2 0.740 CV 1 ASSI { 756} (( segid " " and resid 66 and name HN )) (( segid " " and resid 82 and name HD2 )) 4.500 2.700 1.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.54124E-02 ppm1 7.333 ppm2 3.531 CV 1 ASSI { 757} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HB ) 4.500 2.700 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 7.934 ppm2 0.973 CV 1 ASSI { 758} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 4.100 2.100 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 7.590 ppm2 3.761 CV 1 ASSI { 759} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 4.500 2.700 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.18007E-03 ppm1 8.444 ppm2 1.173 CV 1 ASSI { 760} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 5.600 4.000 0.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.18020E-03 ppm1 9.417 ppm2 8.157 CV 1 ASSI { 761} (( segid " " and resid 80 and name HN )) ( segid " " and resid 67 and name HE% ) 3.500 3.500 2.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.45039E-03 ppm1 9.412 ppm2 6.839 CV 1 ASSI { 762} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB2 )) 4.500 2.700 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.54124E-02 ppm1 7.333 ppm2 3.662 CV 1 ASSI { 763} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.400 0.700 0.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.75163E-02 ppm1 9.412 ppm2 5.847 CV 1 ASSI { 764} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.400 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 9.415 ppm2 4.882 CV 1 ASSI { 765} (( segid " " and resid 80 and name HN )) (( segid " " and resid 67 and name HA )) 4.900 3.000 1.100 peak 765 spectrum 1 weight 0.10000E+01 volume 0.43444E-03 ppm1 9.411 ppm2 4.094 CV 1 ASSI { 766} (( segid " " and resid 80 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.500 2.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.45640E-03 ppm1 9.422 ppm2 2.677 CV 1 ASSI { 767} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.18353E-02 ppm1 9.410 ppm2 1.574 CV 1 ASSI { 768} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG11)) 3.300 1.400 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 9.413 ppm2 1.328 CV 1 ASSI { 769} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.13876E-02 ppm1 9.411 ppm2 1.118 CV 1 ASSI { 770} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD1%) 3.000 1.100 1.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.44307E-02 ppm1 9.409 ppm2 0.887 CV 1 ASSI { 771} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HD1%) 4.800 2.900 1.200 peak 771 spectrum 1 weight 0.10000E+01 volume 0.24288E-03 ppm1 9.417 ppm2 0.491 CV 1 ASSI { 772} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 772 spectrum 1 weight 0.10000E+01 volume 0.17118E-02 ppm1 8.435 ppm2 4.902 CV 1 ASSI { 773} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 2.000 0.500 0.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.19150E-01 ppm1 8.426 ppm2 4.686 CV 1 ASSI { 774} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.100 1.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.27124E-02 ppm1 8.431 ppm2 2.317 CV 1 ASSI { 775} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.39392E-02 ppm1 8.431 ppm2 2.045 CV 1 ASSI { 776} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG12)) 2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.84118E-02 ppm1 8.431 ppm2 1.122 CV 1 ASSI { 777} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.25823E-02 ppm1 8.430 ppm2 0.408 CV 1 ASSI { 778} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.67320E-02 ppm1 7.981 ppm2 4.099 CV 1 ASSI { 779} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB )) 4.900 3.000 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.77778E-03 ppm1 7.980 ppm2 1.763 CV 1 ASSI { 780} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG11)) 4.000 2.000 2.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 7.982 ppm2 1.416 CV 1 ASSI { 781} (( segid " " and resid 80 and name HN )) ( segid " " and resid 67 and name HD% ) 5.000 3.100 1.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.15869E-03 ppm1 9.409 ppm2 6.969 CV 1 ASSI { 782} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) 4.100 2.100 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.85752E-03 ppm1 9.415 ppm2 1.835 CV 1 ASSI { 783} (( segid " " and resid 80 and name HN )) (( segid " " and resid 70 and name HN )) 5.500 3.800 0.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.29915E-03 ppm1 9.409 ppm2 8.670 CV 1 ASSI { 784} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HG2%) 4.000 2.000 2.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 7.977 ppm2 1.107 CV 1 ASSI { 785} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG2%) 4.500 2.600 1.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.82353E-03 ppm1 7.984 ppm2 0.784 CV 1 ASSI { 786} (( segid " " and resid 95 and name HN )) (( segid " " and resid 30 and name HA )) 3.400 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 8.832 ppm2 4.270 CV 1 ASSI { 787} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 3.300 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.16007E-02 ppm1 8.831 ppm2 8.216 CV 1 ASSI { 788} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA1 )) 2.800 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.23797E-02 ppm1 8.831 ppm2 5.012 CV 1 ASSI { 789} (( segid " " and resid 95 and name HN )) (( segid " " and resid 32 and name HA )) 4.600 2.700 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.92484E-04 ppm1 8.828 ppm2 4.483 CV 1 ASSI { 790} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.21444E-02 ppm1 8.831 ppm2 3.741 CV 1 ASSI { 791} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA2 )) 3.300 1.400 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.34556E-02 ppm1 8.829 ppm2 3.207 CV 1 ASSI { 792} (( segid " " and resid 95 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.600 2.600 1.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.94640E-04 ppm1 8.826 ppm2 2.660 CV 1 ASSI { 793} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.000 1.100 1.100 peak 793 spectrum 1 weight 0.10000E+01 volume 0.20052E-02 ppm1 8.828 ppm2 1.860 CV 1 ASSI { 794} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG1 )) 4.000 2.000 2.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 8.828 ppm2 1.435 CV 1 ASSI { 795} (( segid " " and resid 85 and name HN )) ( segid " " and resid 89 and name HD1 ) 4.500 2.700 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 7.934 ppm2 3.738 CV 1 ASSI { 796} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.900 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.35451E-02 ppm1 7.950 ppm2 4.210 CV 1 ASSI { 797} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.48209E-02 ppm1 7.949 ppm2 3.648 CV 1 ASSI { 798} (( segid " " and resid 64 and name HN )) (( segid " " and resid 47 and name HN )) 4.500 2.700 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.35451E-02 ppm1 7.950 ppm2 8.208 CV 1 ASSI { 799} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.22346E-02 ppm1 7.947 ppm2 1.990 CV 1 ASSI { 800} (( segid " " and resid 64 and name HN )) ( segid " " and resid 84 and name HG1%) 3.900 1.900 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 7.947 ppm2 -0.650 CV 1 ASSI { 801} (( segid " " and resid 64 and name HN )) (( segid " " and resid 83 and name HA )) 4.300 2.300 1.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 7.947 ppm2 4.800 CV 1 ASSI { 802} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 0.600 0.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.10797E-01 ppm1 7.950 ppm2 4.501 CV 1 ASSI { 803} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 2.600 0.900 0.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.53915E-02 ppm1 7.948 ppm2 3.925 CV 1 ASSI { 805} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.000 3.000 3.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 7.943 ppm2 1.467 CV 1 ASSI { 806} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.400 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.24131E-02 ppm1 7.946 ppm2 1.244 CV 1 ASSI { 807} (( segid " " and resid 50 and name HN )) (( segid " " and resid 60 and name HN )) 4.500 2.700 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.58359E-02 ppm1 7.890 ppm2 8.396 CV 1 ASSI { 808} (( segid " " and resid 64 and name HN )) ( segid " " and resid 45 and name HD1%) 3.100 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.22497E-02 ppm1 7.944 ppm2 0.469 CV 1 ASSI { 809} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB )) 2.700 0.900 0.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.58359E-02 ppm1 7.890 ppm2 3.995 CV 1 ASSI { 810} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 3.300 1.400 1.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.55229E-02 ppm1 7.897 ppm2 1.548 CV 1 ASSI { 811} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HD1%) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 7.887 ppm2 0.774 CV 1 ASSI { 812} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.500 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 7.658 CV 1 ASSI { 813} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 4.000 2.000 2.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.93072E-03 ppm1 9.476 ppm2 4.480 CV 1 ASSI { 814} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.700 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.58386E-02 ppm1 9.474 ppm2 3.982 CV 1 ASSI { 815} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 9.468 ppm2 3.751 CV 1 ASSI { 816} (( segid " " and resid 37 and name HN )) (( segid " " and resid 89 and name HD2 )) 6.000 6.000 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10595E-03 ppm1 9.469 ppm2 3.500 CV 1 ASSI { 817} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HE% )) 4.500 2.700 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 2.841 CV 1 ASSI { 818} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB1 )) 6.000 4.600 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.16634E-03 ppm1 9.472 ppm2 3.047 CV 1 ASSI { 819} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB2 )) 4.600 2.700 1.400 peak 819 spectrum 1 weight 0.10000E+01 volume 0.98954E-03 ppm1 9.469 ppm2 2.827 CV 1 ASSI { 820} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HG2 )) 3.700 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.82941E-03 ppm1 9.471 ppm2 2.485 CV 1 ASSI { 821} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HG1 )) 3.100 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 9.473 ppm2 2.225 CV 1 ASSI { 822} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.100 1.200 1.200 peak 822 spectrum 1 weight 0.10000E+01 volume 0.66470E-02 ppm1 9.472 ppm2 1.825 CV 1 ASSI { 823} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.68758E-02 ppm1 9.472 ppm2 1.525 CV 1 ASSI { 824} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG )) 4.200 2.200 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.80653E-03 ppm1 9.468 ppm2 1.270 CV 1 ASSI { 825} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HD2%) 3.400 1.500 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 9.476 ppm2 0.764 CV 1 ASSI { 826} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.16039E-01 ppm1 7.892 ppm2 4.468 CV 1 ASSI { 827} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HG2%) 3.400 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.18039E-02 ppm1 7.894 ppm2 1.026 CV 1 ASSI { 828} (( segid " " and resid 50 and name HN )) (( segid " " and resid 59 and name HB1 )) 4.400 2.400 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.46020E-03 ppm1 7.886 ppm2 2.666 CV 1 ASSI { 829} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HG1 )) 4.500 2.700 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 1.296 CV 1 ASSI { 830} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 5.800 4.200 0.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.17274E-03 ppm1 8.869 ppm2 8.360 CV 1 ASSI { 831} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HA2 )) 4.900 3.000 1.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.24503E-03 ppm1 8.864 ppm2 2.579 CV 1 ASSI { 832} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HD% ) 3.500 1.600 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 8.861 ppm2 7.494 CV 1 ASSI { 833} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.98627E-02 ppm1 8.129 ppm2 4.233 CV 1 ASSI { 834} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) 2.600 2.600 3.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.74771E-02 ppm1 8.129 ppm2 3.737 CV 1 ASSI { 835} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 835 spectrum 1 weight 0.10000E+01 volume 0.38307E-02 ppm1 8.132 ppm2 1.932 CV 1 ASSI { 836} (( segid " " and resid 58 and name HN )) (( segid " " and resid 52 and name HB2 )) 4.500 2.500 1.500 peak 836 spectrum 1 weight 0.10000E+01 volume 0.42176E-03 ppm1 8.126 ppm2 1.293 CV 1 ASSI { 837} (( segid " " and resid 58 and name HN )) ( segid " " and resid 52 and name HD1%) 4.800 2.800 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.41804E-03 ppm1 8.132 ppm2 0.685 CV 1 ASSI { 838} (( segid " " and resid 66 and name HN )) (( segid " " and resid 39 and name HD1 )) 3.000 3.000 3.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.54124E-02 ppm1 7.333 ppm2 6.657 CV 1 ASSI { 839} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.84248E-02 ppm1 7.332 ppm2 4.659 CV 1 ASSI { 840} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.500 1.500 1.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 7.333 ppm2 4.066 CV 1 ASSI { 841} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.33013E-02 ppm1 7.334 ppm2 3.565 CV 1 ASSI { 842} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.400 1.400 1.400 peak 842 spectrum 1 weight 0.10000E+01 volume 0.18752E-02 ppm1 7.338 ppm2 1.742 CV 1 ASSI { 843} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.57902E-02 ppm1 7.332 ppm2 1.499 CV 1 ASSI { 844} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG1 )) 3.900 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.26608E-02 ppm1 7.335 ppm2 1.231 CV 1 ASSI { 845} (( segid " " and resid 37 and name HN )) (( segid " " and resid 86 and name HA )) 4.500 2.700 1.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 4.755 CV 1 ASSI { 846} (( segid " " and resid 37 and name HN )) (( segid " " and resid 86 and name HB1 )) 4.500 2.700 1.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 2.224 CV 1 ASSI { 847} (( segid " " and resid 66 and name HN )) ( segid " " and resid 84 and name HG2%) 4.800 2.900 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.19359E-03 ppm1 7.336 ppm2 0.163 CV 1 ASSI { 848} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HD% ) 5.800 4.300 0.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.20131E-03 ppm1 7.329 ppm2 6.938 CV 1 OR { 848} (( segid " " and resid 66 and name HN )) (( segid " " and resid 43 and name HH2 )) ASSI { 849} (( segid " " and resid 66 and name HN )) (( segid " " and resid 84 and name HB )) 5.400 3.600 0.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.19157E-03 ppm1 7.327 ppm2 0.986 CV 1 ASSI { 850} (( segid " " and resid 37 and name HN )) (( segid " " and resid 88 and name HA )) 4.500 2.700 1.500 peak 850 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 9.473 ppm2 4.547 CV 1 ASSI { 851} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HA1 )) 5.800 4.200 0.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.15928E-03 ppm1 8.864 ppm2 4.183 CV 1 ASSI { 852} (( segid " " and resid 22 and name HN )) (( segid " " and resid 70 and name HZ2 )) 5.600 3.900 0.400 peak 852 spectrum 1 weight 0.10000E+01 volume 0.17739E-03 ppm1 8.857 ppm2 6.915 CV 1 ASSI { 853} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.400 1.400 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10523E-02 ppm1 8.856 ppm2 5.377 CV 1 ASSI { 854} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HD1 )) 5.000 3.200 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.24993E-02 ppm1 8.198 ppm2 3.747 CV 1 ASSI { 855} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.10882E-01 ppm1 8.857 ppm2 4.690 CV 1 ASSI { 856} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 3.100 1.200 1.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.27608E-02 ppm1 8.866 ppm2 3.873 CV 1 ASSI { 857} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.700 1.800 1.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 8.856 ppm2 2.972 CV 1 ASSI { 858} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HG2%) 3.500 1.500 1.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 8.856 ppm2 1.129 CV 1 ASSI { 859} (( segid " " and resid 22 and name HN )) ( segid " " and resid 13 and name HG2%) 5.200 3.300 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.18562E-03 ppm1 8.854 ppm2 0.765 CV 1 ASSI { 860} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB2 )) 6.000 4.700 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.83660E-04 ppm1 8.797 ppm2 2.425 CV 1 ASSI { 861} (( segid " " and resid 46 and name HN )) (( segid " " and resid 64 and name HB1 )) 4.500 2.700 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 8.784 ppm2 3.659 CV 1 ASSI { 862} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 8.784 ppm2 8.188 CV 1 ASSI { 863} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.300 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11078E-01 ppm1 8.788 ppm2 4.892 CV 1 ASSI { 864} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.17046E-02 ppm1 8.791 ppm2 4.613 CV 1 ASSI { 865} (( segid " " and resid 46 and name HN )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.97385E-03 ppm1 8.785 ppm2 4.198 CV 1 ASSI { 866} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 3.200 1.300 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.19667E-02 ppm1 8.788 ppm2 3.926 CV 1 ASSI { 867} (( segid " " and resid 46 and name HN )) (( segid " " and resid 64 and name HB2 )) 5.600 3.900 0.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.16627E-03 ppm1 8.787 ppm2 3.623 CV 1 ASSI { 868} (( segid " " and resid 46 and name HN )) (( segid " " and resid 62 and name HB1 )) 5.200 3.400 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.16784E-03 ppm1 8.786 ppm2 1.699 CV 1 ASSI { 869} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB )) 2.200 0.600 0.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10451E-01 ppm1 8.786 ppm2 1.403 CV 1 ASSI { 870} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 2.600 0.800 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.83333E-02 ppm1 8.788 ppm2 1.056 CV 1 ASSI { 871} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.500 2.700 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.17745E-02 ppm1 8.198 ppm2 1.963 CV 1 ASSI { 872} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG2%) 3.700 1.700 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.23582E-02 ppm1 8.787 ppm2 0.442 CV 1 ASSI { 873} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.17745E-02 ppm1 8.198 ppm2 5.060 CV 1 ASSI { 874} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.88039E-02 ppm1 8.194 ppm2 4.459 CV 1 ASSI { 875} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.200 3.200 2.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.84967E-03 ppm1 8.196 ppm2 4.201 CV 1 ASSI { 876} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 4.400 2.400 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.41823E-03 ppm1 8.197 ppm2 3.984 CV 1 ASSI { 877} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 877 spectrum 1 weight 0.10000E+01 volume 0.34856E-02 ppm1 8.197 ppm2 3.688 CV 1 ASSI { 878} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.600 1.600 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.26105E-02 ppm1 8.196 ppm2 2.292 CV 1 ASSI { 879} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.900 1.900 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.24993E-02 ppm1 8.198 ppm2 1.949 CV 1 ASSI { 880} (( segid " " and resid 11 and name HN )) (( segid " " and resid 24 and name HB1 )) 6.000 6.000 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.32471E-04 ppm1 8.202 ppm2 1.478 CV 1 ASSI { 881} (( segid " " and resid 11 and name HN )) ( segid " " and resid 12 and name HD1%) 3.800 1.800 1.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.14719E-02 ppm1 8.197 ppm2 0.726 CV 1 ASSI { 882} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HD1 )) 5.800 4.200 0.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.13686E-03 ppm1 9.506 ppm2 3.731 CV 1 ASSI { 883} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 2.800 1.000 1.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 9.500 ppm2 7.885 CV 1 ASSI { 884} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.400 0.700 0.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.69477E-02 ppm1 9.496 ppm2 4.684 CV 1 ASSI { 885} (( segid " " and resid 87 and name HN )) (( segid " " and resid 35 and name HA )) 5.200 3.300 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.32935E-03 ppm1 9.491 ppm2 4.443 CV 1 ASSI { 886} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.200 2.200 3.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.19261E-01 ppm1 9.496 ppm2 4.213 CV 1 ASSI { 887} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB1 )) 3.000 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.34333E-02 ppm1 9.496 ppm2 2.841 CV 1 ASSI { 888} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.600 1.600 1.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 9.496 ppm2 2.175 CV 1 ASSI { 889} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.000 3.000 3.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.43817E-02 ppm1 9.496 ppm2 1.922 CV 1 ASSI { 890} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HB1 )) 4.000 2.000 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 9.499 ppm2 1.538 CV 1 ASSI { 891} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HB2 )) 5.900 4.400 0.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.18098E-03 ppm1 9.491 ppm2 1.293 CV 1 ASSI { 892} (( segid " " and resid 48 and name HN )) (( segid " " and resid 62 and name HB2 )) 4.500 2.700 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.18477E-01 ppm1 8.074 ppm2 1.398 CV 1 ASSI { 893} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.500 1.800 1.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.18477E-01 ppm1 8.074 ppm2 4.677 CV 1 ASSI { 894} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 3.100 1.200 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 8.075 ppm2 4.433 CV 1 ASSI { 895} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.600 1.600 1.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.30457E-02 ppm1 8.075 ppm2 2.668 CV 1 ASSI { 896} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.400 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 8.075 ppm2 2.453 CV 1 ASSI { 897} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HG% )) 4.500 2.700 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.35451E-02 ppm1 7.950 ppm2 2.018 CV 1 ASSI { 898} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 3.200 1.300 1.300 peak 898 spectrum 1 weight 0.10000E+01 volume 0.35556E-02 ppm1 8.073 ppm2 1.082 CV 1 ASSI { 899} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.16320E-02 ppm1 8.065 ppm2 4.085 CV 1 ASSI { 900} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HD1%) 5.700 4.000 0.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.12444E-03 ppm1 8.068 ppm2 0.795 CV 1 ASSI { 901} (( segid " " and resid 48 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.900 1.900 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.83791E-03 ppm1 8.073 ppm2 1.374 CV 1 ASSI { 902} (( segid " " and resid 23 and name HN )) (( segid " " and resid 11 and name HA )) 4.500 2.600 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.82418E-03 ppm1 8.377 ppm2 5.126 CV 1 ASSI { 903} (( segid " " and resid 23 and name HN )) (( segid " " and resid 70 and name HZ2 )) 3.300 1.300 1.300 peak 903 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 8.376 ppm2 6.945 CV 1 ASSI { 904} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.300 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.76601E-02 ppm1 8.378 ppm2 5.379 CV 1 ASSI { 905} (( segid " " and resid 23 and name HN )) (( segid " " and resid 12 and name HA )) 4.100 2.100 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 8.383 ppm2 4.663 CV 1 ASSI { 906} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) 2.800 1.000 1.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 8.373 ppm2 4.140 CV 1 ASSI { 907} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) 3.800 1.800 1.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 8.373 ppm2 2.627 CV 1 ASSI { 908} (( segid " " and resid 23 and name HN )) (( segid " " and resid 12 and name HB1 )) 4.300 2.300 1.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 8.375 ppm2 1.428 CV 1 ASSI { 909} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.300 0.700 0.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.10000E-01 ppm1 8.400 ppm2 4.935 CV 1 ASSI { 910} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB )) 4.100 2.100 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.42353E-03 ppm1 8.409 ppm2 4.336 CV 1 ASSI { 911} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 5.100 3.300 0.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.31399E-03 ppm1 8.401 ppm2 2.133 CV 1 ASSI { 912} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HG2%) 3.500 1.500 1.500 peak 912 spectrum 1 weight 0.10000E+01 volume 0.16013E-02 ppm1 8.402 ppm2 0.856 CV 1 ASSI { 913} (( segid " " and resid 27 and name HN )) ( segid " " and resid 98 and name HD1%) 4.100 2.100 1.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.80784E-03 ppm1 8.409 ppm2 0.638 CV 1 ASSI { 914} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.200 1.300 1.300 peak 914 spectrum 1 weight 0.10000E+01 volume 0.22431E-02 ppm1 8.408 ppm2 3.797 CV 1 ASSI { 915} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.300 2.300 1.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.47699E-03 ppm1 8.399 ppm2 2.929 CV 1 ASSI { 916} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HG2%) 2.500 0.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.73137E-02 ppm1 8.418 ppm2 1.149 CV 1 ASSI { 917} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 8.099 ppm2 4.360 CV 1 ASSI { 918} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.100 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.17660E-01 ppm1 8.098 ppm2 4.131 CV 1 ASSI { 919} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.31274E-02 ppm1 8.096 ppm2 3.002 CV 1 ASSI { 920} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 8.099 ppm2 2.788 CV 1 ASSI { 921} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.77843E-03 ppm1 8.098 ppm2 2.266 CV 1 ASSI { 922} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.900 1.900 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 8.101 ppm2 1.961 CV 1 ASSI { 923} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.700 3.700 2.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.37640E-03 ppm1 8.103 ppm2 1.544 CV 1 ASSI { 924} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 5.500 3.800 0.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.12359E-03 ppm1 8.091 ppm2 5.397 CV 1 ASSI { 925} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 4.500 2.700 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.35451E-02 ppm1 7.950 ppm2 8.767 CV 1 ASSI { 926} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) 5.700 4.100 0.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.17039E-03 ppm1 8.097 ppm2 4.647 CV 1 ASSI { 927} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 3.800 1.900 1.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.69150E-03 ppm1 7.715 ppm2 6.221 CV 1 ASSI { 928} (( segid " " and resid 77 and name HN )) (( segid " " and resid 71 and name HA )) 4.900 3.000 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.18366E-03 ppm1 7.718 ppm2 5.274 CV 1 ASSI { 929} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.000 1.200 0.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20373E-01 ppm1 7.720 ppm2 4.612 CV 1 ASSI { 930} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.48196E-02 ppm1 7.724 ppm2 3.713 CV 1 ASSI { 931} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.82549E-03 ppm1 7.715 ppm2 3.415 CV 1 ASSI { 932} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.200 1.300 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 7.720 ppm2 3.278 CV 1 ASSI { 933} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 4.200 2.200 1.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.18072E-02 ppm1 7.720 ppm2 3.021 CV 1 ASSI { 934} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.300 1.400 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.26176E-02 ppm1 7.719 ppm2 2.739 CV 1 ASSI { 935} (( segid " " and resid 87 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.500 2.700 1.500 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 1.537 CV 1 ASSI { 936} (( segid " " and resid 77 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.600 1.700 1.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 7.706 ppm2 1.767 CV 1 ASSI { 937} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB )) 3.400 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 7.351 ppm2 2.024 CV 1 ASSI { 938} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.500 2.700 1.500 peak 938 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 7.351 ppm2 4.557 CV 1 ASSI { 939} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG1 )) 5.600 4.000 0.400 peak 939 spectrum 1 weight 0.10000E+01 volume 0.18039E-03 ppm1 8.512 ppm2 2.135 CV 1 ASSI { 940} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) 2.600 0.900 0.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.50451E-02 ppm1 8.507 ppm2 7.508 CV 1 ASSI { 941} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HA )) 5.100 3.200 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 8.505 ppm2 4.403 CV 1 ASSI { 942} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.35457E-02 ppm1 8.509 ppm2 4.163 CV 1 ASSI { 943} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HA )) 4.500 2.700 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 7.351 ppm2 4.523 CV 1 ASSI { 944} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.100 3.100 2.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.92222E-03 ppm1 8.500 ppm2 1.889 CV 1 ASSI { 945} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.600 1.600 1.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.24634E-02 ppm1 8.505 ppm2 1.448 CV 1 ASSI { 946} (( segid " " and resid 99 and name HN )) ( segid " " and resid 98 and name HD1%) 4.200 2.200 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 8.505 ppm2 0.594 CV 1 ASSI { 947} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.45242E-02 ppm1 8.343 ppm2 7.679 CV 1 ASSI { 948} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.11608E-01 ppm1 8.349 ppm2 4.120 CV 1 ASSI { 949} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA1 )) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.11444E-01 ppm1 8.340 ppm2 3.787 CV 1 ASSI { 950} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HZ3 )) 4.400 2.400 1.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 8.216 ppm2 6.698 CV 1 ASSI { 951} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) 6.000 6.000 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.31608E-04 ppm1 8.208 ppm2 5.323 CV 1 ASSI { 952} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.000 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.22294E-02 ppm1 7.351 ppm2 4.467 CV 1 ASSI { 953} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 953 spectrum 1 weight 0.10000E+01 volume 0.16935E-02 ppm1 7.349 ppm2 2.624 CV 1 ASSI { 954} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HB% ) 4.200 2.300 1.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.24948E-02 ppm1 7.347 ppm2 1.339 CV 1 ASSI { 955} (( segid " " and resid 31 and name HN )) (( segid " " and resid 92 and name HB2 )) 5.600 3.900 0.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.11686E-03 ppm1 7.342 ppm2 1.050 CV 1 ASSI { 956} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HG2%) 4.200 2.200 1.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.47608E-03 ppm1 7.349 ppm2 0.803 CV 1 ASSI { 957} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HG1%) 2.800 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.53229E-02 ppm1 7.353 ppm2 0.556 CV 1 ASSI { 958} (( segid " " and resid 31 and name HN )) (( segid " " and resid 94 and name HA1 )) 6.000 5.000 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.35654E-04 ppm1 7.343 ppm2 4.994 CV 1 ASSI { 959} (( segid " " and resid 31 and name HN )) (( segid " " and resid 94 and name HA2 )) 5.600 4.000 0.400 peak 959 spectrum 1 weight 0.10000E+01 volume 0.28059E-03 ppm1 7.338 ppm2 3.164 CV 1 ASSI { 960} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HA )) 3.200 1.200 1.200 peak 960 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 7.030 ppm2 4.537 CV 1 ASSI { 961} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HD2 )) 5.000 3.100 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.95555E-04 ppm1 7.033 ppm2 3.509 CV 1 ASSI { 962} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.600 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 7.032 ppm2 4.241 CV 1 ASSI { 963} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HD1 )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.34222E-02 ppm1 7.027 ppm2 3.758 CV 1 ASSI { 964} (( segid " " and resid 90 and name HN )) (( segid " " and resid 35 and name HE1 )) 5.300 3.400 0.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.24196E-03 ppm1 7.030 ppm2 2.799 CV 1 ASSI { 965} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.400 1.400 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.17333E-02 ppm1 7.029 ppm2 2.278 CV 1 ASSI { 966} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11582E-01 ppm1 7.024 ppm2 1.977 CV 1 ASSI { 967} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HB1 )) 2.900 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.37725E-02 ppm1 7.028 ppm2 1.637 CV 1 ASSI { 968} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.000 3.000 3.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.10000E-01 ppm1 7.027 ppm2 1.351 CV 1 ASSI { 969} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HG )) 3.900 1.900 1.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.53248E-03 ppm1 7.022 ppm2 1.030 CV 1 ASSI { 970} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HG1%) 4.000 2.000 2.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.37013E-02 ppm1 7.022 ppm2 0.805 CV 1 ASSI { 971} (( segid " " and resid 31 and name HN )) (( segid " " and resid 95 and name HN )) 4.500 2.500 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 7.351 ppm2 8.866 CV 1 ASSI { 972} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB )) 4.100 2.100 1.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 8.349 ppm2 1.773 CV 1 ASSI { 973} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG11)) 5.000 3.100 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.35797E-03 ppm1 8.346 ppm2 0.973 CV 1 ASSI { 974} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HG2%) 5.400 3.700 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.47529E-03 ppm1 8.344 ppm2 0.706 CV 1 ASSI { 975} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 8.336 ppm2 8.034 CV 1 ASSI { 976} (( segid " " and resid 87 and name HN )) (( segid " " and resid 36 and name HB2 )) 4.500 2.700 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 0.800 CV 1 ASSI { 977} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG12)) 3.600 1.600 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 8.337 ppm2 1.207 CV 1 ASSI { 978} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.83660E-02 ppm1 8.212 ppm2 7.940 CV 1 ASSI { 979} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.900 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.44105E-02 ppm1 8.212 ppm2 4.643 CV 1 ASSI { 980} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 980 spectrum 1 weight 0.10000E+01 volume 0.22091E-02 ppm1 8.213 ppm2 4.321 CV 1 ASSI { 981} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HD2 )) 3.300 1.400 1.400 peak 981 spectrum 1 weight 0.10000E+01 volume 0.97451E-03 ppm1 8.212 ppm2 3.763 CV 1 ASSI { 982} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HD1 )) 3.900 1.900 1.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.20621E-02 ppm1 8.211 ppm2 3.493 CV 1 ASSI { 983} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.700 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.64497E-02 ppm1 8.213 ppm2 2.972 CV 1 ASSI { 984} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.47529E-02 ppm1 8.213 ppm2 2.698 CV 1 ASSI { 985} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.800 1.800 1.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 8.211 ppm2 2.360 CV 1 ASSI { 986} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.500 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.213 ppm2 1.894 CV 1 ASSI { 987} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.300 1.300 1.300 peak 987 spectrum 1 weight 0.10000E+01 volume 0.11405E-02 ppm1 8.212 ppm2 1.378 CV 1 ASSI { 988} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HG2 )) 6.000 6.000 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.31150E-04 ppm1 8.208 ppm2 0.630 CV 1 ASSI { 989} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.211 ppm2 0.172 CV 1 ASSI { 990} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 4.600 2.700 1.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.35993E-03 ppm1 8.209 ppm2 4.090 CV 1 ASSI { 991} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA2 )) 2.700 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34745E-02 ppm1 8.400 ppm2 3.194 CV 1 ASSI { 992} (( segid " " and resid 94 and name HN )) ( segid " " and resid 32 and name HG2%) 3.900 1.900 1.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.63640E-03 ppm1 8.395 ppm2 1.373 CV 1 ASSI { 993} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB1 )) 4.200 2.300 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.34464E-03 ppm1 8.401 ppm2 2.830 CV 1 ASSI { 994} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HB )) 4.500 2.700 1.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 1.637 CV 1 ASSI { 995} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 2.400 0.700 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.72418E-02 ppm1 8.391 ppm2 5.088 CV 1 ASSI { 996} (( segid " " and resid 94 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.33823E-02 ppm1 8.391 ppm2 4.481 CV 1 ASSI { 997} (( segid " " and resid 94 and name HN )) ( segid " " and resid 92 and name HD1%) 4.200 2.200 1.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.15529E-03 ppm1 8.384 ppm2 0.743 CV 1 ASSI { 998} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.700 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.67386E-02 ppm1 8.948 ppm2 4.243 CV 1 ASSI { 999} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 5.100 3.300 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.21922E-03 ppm1 8.950 ppm2 3.052 CV 1 ASSI { 1000} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.600 1.600 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.21575E-02 ppm1 8.951 ppm2 2.865 CV 1 ASSI { 1001} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 4.700 2.700 1.300 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.25091E-03 ppm1 8.952 ppm2 2.566 CV 1 ASSI { 1002} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.62104E-02 ppm1 8.402 ppm2 7.683 CV 1 ASSI { 1003} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.13739E-01 ppm1 8.396 ppm2 4.192 CV 1 ASSI { 1004} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA1 )) 2.700 0.900 0.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.70915E-02 ppm1 8.401 ppm2 3.933 CV 1 ASSI { 1005} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA2 )) 2.300 0.700 0.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.12693E-01 ppm1 8.401 ppm2 3.710 CV 1 ASSI { 1006} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.100 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.53555E-02 ppm1 8.406 ppm2 1.720 CV 1 ASSI { 1007} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.900 1.900 1.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.17556E-02 ppm1 8.398 ppm2 1.483 CV 1 ASSI { 1008} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG12)) 6.000 4.800 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.19065E-03 ppm1 8.400 ppm2 1.266 CV 1 ASSI { 1009} (( segid " " and resid 54 and name HN )) ( segid " " and resid 55 and name HG2%) 4.900 3.000 1.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.60229E-03 ppm1 8.402 ppm2 0.704 CV 1 ASSI { 1010} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG11)) 6.000 4.800 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.13033E-03 ppm1 8.400 ppm2 0.977 CV 1 ASSI { 1011} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.38510E-02 ppm1 8.276 ppm2 7.379 CV 1 ASSI { 1012} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 4.700 2.800 1.300 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.65621E-03 ppm1 8.276 ppm2 4.941 CV 1 ASSI { 1013} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) 3.300 1.300 1.300 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.31477E-02 ppm1 8.275 ppm2 4.109 CV 1 ASSI { 1014} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.600 0.800 0.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.46967E-02 ppm1 8.278 ppm2 3.591 CV 1 ASSI { 1015} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HB2 )) 6.000 5.100 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.35974E-04 ppm1 8.281 ppm2 2.906 CV 1 ASSI { 1016} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HB1 )) 6.000 6.000 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.30627E-04 ppm1 8.278 ppm2 2.133 CV 1 ASSI { 1017} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 4.400 2.400 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.48235E-03 ppm1 8.273 ppm2 3.823 CV 1 ASSI { 1018} (( segid " " and resid 28 and name HN )) ( segid " " and resid 29 and name HB% ) 5.700 4.000 0.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.19274E-03 ppm1 8.280 ppm2 1.394 CV 1 ASSI { 1019} (( segid " " and resid 28 and name HN )) ( segid " " and resid 25 and name HG2%) 5.600 3.900 0.400 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.98170E-04 ppm1 8.280 ppm2 0.824 CV 1 ASSI { 1020} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) 4.500 2.700 1.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.62104E-02 ppm1 8.402 ppm2 4.252 CV 1 ASSI { 1021} (( segid " " and resid 78 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.400 2.400 1.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 6.238 ppm2 1.742 CV 1 ASSI { 1022} (( segid " " and resid 78 and name HN )) ( segid " " and resid 101 and name HE% ) 5.900 4.300 0.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.98301E-04 ppm1 6.245 ppm2 1.373 CV 1 ASSI { 1023} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.49863E-02 ppm1 6.240 ppm2 3.683 CV 1 ASSI { 1024} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.41405E-02 ppm1 6.232 ppm2 3.346 CV 1 ASSI { 1025} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG% )) 4.500 2.700 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.62104E-02 ppm1 8.402 ppm2 1.557 CV 1 ASSI { 1026} (( segid " " and resid 78 and name HN )) ( segid " " and resid 79 and name HD2%) 6.000 6.000 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.36189E-04 ppm1 6.240 ppm2 0.657 CV 1 ASSI { 1027} (( segid " " and resid 78 and name HN )) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.65490E-03 ppm1 6.225 ppm2 5.266 CV 1 ASSI { 1028} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HN )) 4.500 2.700 1.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 7.948 CV 1 ASSI { 1029} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HB2 )) 5.500 3.800 0.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.26412E-03 ppm1 6.226 ppm2 2.609 CV 1 ASSI { 1030} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB1 )) 5.100 3.300 0.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.16039E-03 ppm1 6.234 ppm2 1.470 CV 1 ASSI { 1031} (( segid " " and resid 78 and name HN )) (( segid " " and resid 69 and name HA )) 4.800 2.900 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.45817E-03 ppm1 6.223 ppm2 4.987 CV 1 ASSI { 1032} (( segid " " and resid 87 and name HN )) (( segid " " and resid 89 and name HD1 )) 4.500 2.700 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 3.747 CV 1 ASSI { 1033} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB )) 3.000 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.34150E-02 ppm1 7.712 ppm2 1.723 CV 1 ASSI { 1034} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG1%) 3.400 1.400 1.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.20634E-02 ppm1 7.713 ppm2 0.709 CV 1 ASSI { 1035} (( segid " " and resid 88 and name HN )) (( segid " " and resid 36 and name HB2 )) 4.500 2.700 1.500 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 7.908 ppm2 0.789 CV 1 ASSI { 1036} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG11)) 3.400 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.46961E-02 ppm1 8.222 ppm2 1.386 CV 1 ASSI { 1037} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.500 1.600 1.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 7.984 ppm2 4.279 CV 1 ASSI { 1038} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 5.000 3.200 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.50033E-03 ppm1 8.127 ppm2 7.888 CV 1 ASSI { 1039} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 4.400 2.500 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.51830E-03 ppm1 9.039 ppm2 8.749 CV 1 ASSI { 1040} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.200 0.600 0.600 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.73268E-02 ppm1 9.658 ppm2 5.380 CV 1 ASSI { 1041} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HD1%) 6.000 5.600 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.77908E-04 ppm1 9.606 ppm2 0.467 CV 1 ASSI { 1042} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 8.763 ppm2 4.753 CV 1 ASSI { 1043} (( segid " " and resid 88 and name HN )) (( segid " " and resid 37 and name HN )) 4.500 2.700 1.500 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 7.908 ppm2 9.493 CV 1 ASSI { 1044} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.100 1.100 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.30902E-02 ppm1 8.281 ppm2 4.960 CV 1 ASSI { 1045} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HG2%) 3.700 1.700 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.37902E-02 ppm1 8.553 ppm2 0.859 CV 1 ASSI { 1046} (( segid " " and resid 88 and name HN )) (( segid " " and resid 85 and name HB )) 4.500 2.700 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 7.908 ppm2 1.648 CV 1 ASSI { 1047} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 4.600 2.700 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.45516E-03 ppm1 8.804 ppm2 1.447 CV 1 ASSI { 1048} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 5.400 3.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 9.088 ppm2 8.795 CV 1 ASSI { 1049} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.900 1.900 1.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 9.475 ppm2 0.833 CV 1 ASSI { 1050} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 4.500 2.700 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 7.908 ppm2 2.840 CV 1 ASSI { 1051} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.200 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.20131E-02 ppm1 7.757 ppm2 7.567 CV 1 ASSI { 1052} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.700 1.700 1.700 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 7.755 ppm2 3.780 CV 1 ASSI { 1053} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 4.100 2.100 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.74118E-03 ppm1 7.758 ppm2 2.824 CV 1 ASSI { 1054} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) 6.000 4.900 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.14052E-03 ppm1 8.212 ppm2 2.250 CV 1 ASSI { 1055} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.300 1.300 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 7.935 ppm2 2.947 CV 1 ASSI { 1056} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 2.300 0.700 0.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.78431E-02 ppm1 8.434 ppm2 4.677 CV 1 ASSI { 1057} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB )) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 8.431 ppm2 1.373 CV 1 ASSI { 1058} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.75425E-02 ppm1 8.339 ppm2 4.469 CV 1 ASSI { 1059} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.21353E-02 ppm1 7.892 ppm2 4.141 CV 1 ASSI { 1060} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB )) 4.500 2.500 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.50405E-03 ppm1 8.347 ppm2 3.957 CV 1 ASSI { 1061} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.99216E-02 ppm1 8.296 ppm2 4.212 CV 1 ASSI { 1062} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.500 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.46078E-02 ppm1 8.308 ppm2 1.357 CV 1 ASSI { 1063} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.000 1.200 1.200 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.48314E-02 ppm1 7.683 ppm2 1.749 CV 1 ASSI { 1064} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA2 )) 3.400 1.400 1.400 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 8.063 ppm2 4.154 CV 1 ASSI { 1065} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.19575E-02 ppm1 8.128 ppm2 4.366 CV 1 ASSI { 1066} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) 4.000 2.000 2.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 8.131 ppm2 2.177 CV 1 ASSI { 1067} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.33307E-02 ppm1 8.225 ppm2 4.340 CV 1 ASSI { 1068} (( segid " " and resid 63 and name HN )) ( segid " " and resid 46 and name HG2%) 2.800 2.800 3.200 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.19405E-02 ppm1 8.753 ppm2 1.081 CV 1 ASSI { 1069} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HA )) 4.500 2.700 1.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.16026E-03 ppm1 7.032 ppm2 4.555 CV 1 ASSI { 1070} (( segid " " and resid 91 and name HN )) (( segid " " and resid 35 and name HA )) 4.500 2.700 1.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.42359E-02 ppm1 7.795 ppm2 4.532 CV 1 ASSI { 1071} (( segid " " and resid 91 and name HN )) (( segid " " and resid 35 and name HG2 )) 4.500 2.700 1.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.42359E-02 ppm1 7.795 ppm2 1.808 CV 1 ASSI { 1072} (( segid " " and resid 68 and name HN )) (( segid " " and resid 81 and name HB2 )) 5.000 3.100 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.71046E-03 ppm1 9.403 ppm2 0.576 CV 1 ASSI { 1073} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB1 )) 3.300 1.400 1.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.40601E-02 ppm1 8.545 ppm2 0.988 CV 1 ASSI { 1074} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB )) 6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.93137E-04 ppm1 9.078 ppm2 4.060 CV 1 ASSI { 1075} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.19392E-02 ppm1 8.246 ppm2 5.424 CV 1 ASSI { 1076} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HB1 )) 5.500 3.800 0.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17673E-03 ppm1 8.098 ppm2 1.783 CV 1 ASSI { 1077} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.700 1.700 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.27993E-02 ppm1 8.890 ppm2 2.722 CV 1 ASSI { 1078} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA1 )) 2.600 0.800 0.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.79346E-02 ppm1 6.241 ppm2 3.766 CV 1 ASSI { 1079} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG2%) 3.600 1.600 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 9.410 ppm2 0.814 CV 1 ASSI { 1080} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.200 0.600 0.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.14614E-01 ppm1 8.544 ppm2 4.459 CV 1 ASSI { 1081} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HD1%) 4.500 2.500 1.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 7.905 ppm2 0.724 CV 1 ASSI { 1082} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.31425E-02 ppm1 7.028 ppm2 4.213 CV 1 ASSI { 1083} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG1 )) 2.800 2.800 3.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.77059E-02 ppm1 7.026 ppm2 1.955 CV 1 ASSI { 1084} (( segid " " and resid 90 and name HN )) ( segid " " and resid 88 and name HD1%) 2.900 1.000 1.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.58118E-02 ppm1 7.023 ppm2 0.735 CV 1 ASSI { 1085} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.600 1.600 1.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 8.667 ppm2 1.780 CV 1 ASSI { 1086} (( segid " " and resid 93 and name HN )) ( segid " " and resid 29 and name HB% ) 4.600 2.700 1.400 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.27091E-03 ppm1 8.610 ppm2 1.374 CV 1 ASSI { 1087} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HG1 )) 4.500 2.700 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.42359E-02 ppm1 7.795 ppm2 2.030 CV 1 ASSI { 1088} (( segid " " and resid 92 and name HN )) (( segid " " and resid 33 and name HA )) 4.500 2.700 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.662 ppm2 4.611 CV 1 ASSI { 1089} (( segid " " and resid 15 and name HE1 )) ( segid " " and resid 20 and name HE% ) 3.600 1.600 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.18438E-02 ppm1 10.123 ppm2 1.701 CV 1 ASSI { 1090} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 4.500 2.500 1.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.29222E-03 ppm1 7.758 ppm2 3.991 CV 1 ASSI { 1091} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HG1 )) 6.000 6.000 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.37346E-04 ppm1 8.223 ppm2 -0.804 CV 1 ASSI { 1092} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 40 and name HG1 )) 4.800 2.900 1.200 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.17412E-03 ppm1 9.965 ppm2 -0.832 CV 1 ASSI { 1093} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HG1 )) 5.600 3.900 0.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.89085E-04 ppm1 7.942 ppm2 -0.835 CV 1 ASSI { 1094} (( segid " " and resid 92 and name HN )) (( segid " " and resid 33 and name HG12)) 4.500 2.700 1.500 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.662 ppm2 1.840 CV 1 ASSI { 1095} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 70 and name HH2 )) 4.800 2.800 1.200 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.72091E-03 ppm1 9.561 ppm2 6.656 CV 1 ASSI { 1096} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 15 and name HA )) 3.700 1.700 1.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.55588E-03 ppm1 9.556 ppm2 5.380 CV 1 ASSI { 1097} (( segid " " and resid 92 and name HN )) (( segid " " and resid 34 and name HB )) 4.500 2.700 1.500 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.662 ppm2 1.745 CV 1 ASSI { 1098} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.36575E-03 ppm1 8.952 ppm2 8.718 CV 1 ASSI { 1099} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HN )) 6.000 6.000 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.88104E-04 ppm1 9.657 ppm2 9.390 CV 1 ASSI { 1100} (( segid " " and resid 15 and name HN )) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.96274E-03 ppm1 8.899 ppm2 9.092 CV 1 ASSI { 1101} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 5.900 4.400 0.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.11686E-03 ppm1 8.527 ppm2 3.037 CV 1 ASSI { 1102} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG1 )) 2.400 0.700 0.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.83006E-02 ppm1 7.762 ppm2 1.361 CV 1 ASSI { 1103} (( segid " " and resid 62 and name HN )) ( segid " " and resid 85 and name HG2%) 4.000 2.000 2.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.73203E-03 ppm1 7.762 ppm2 0.980 CV 1 ASSI { 1104} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB )) 4.100 2.100 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.61954E-03 ppm1 8.370 ppm2 3.870 CV 1 ASSI { 1105} (( segid " " and resid 28 and name HN )) ( segid " " and resid 98 and name HB2 ) 4.500 2.700 1.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.31261E-04 ppm1 8.283 ppm2 1.447 CV 1 ASSI { 1106} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HG2%) 3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.58758E-02 ppm1 8.375 ppm2 1.134 CV 1 ASSI { 1107} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HG2%) 6.000 4.500 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.31261E-04 ppm1 8.283 ppm2 1.137 CV 1 ASSI { 1108} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.700 2.700 1.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.94314E-03 ppm1 7.381 ppm2 8.855 CV 1 OR { 1108} (( segid " " and resid 29 and name HN )) (( segid " " and resid 95 and name HN )) ASSI { 1109} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 5.200 3.300 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.91242E-03 ppm1 7.348 ppm2 4.498 CV 1 ASSI { 1110} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 4.300 2.400 1.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.64738E-03 ppm1 7.344 ppm2 4.283 CV 1 ASSI { 1111} (( segid " " and resid 33 and name HN )) (( segid " " and resid 92 and name HA )) 5.400 3.700 0.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.15105E-03 ppm1 8.745 ppm2 4.750 CV 1 ASSI { 1112} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 3.900 1.900 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 8.744 ppm2 0.786 CV 1 ASSI { 1113} (( segid " " and resid 34 and name HN )) (( segid " " and resid 83 and name HA )) 5.100 3.200 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.20418E-03 ppm1 8.810 ppm2 4.749 CV 1 ASSI { 1114} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.500 1.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.73464E-03 ppm1 8.805 ppm2 4.504 CV 1 ASSI { 1115} (( segid " " and resid 35 and name HN )) ( segid " " and resid 33 and name HG2%) 4.100 2.100 1.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 9.088 ppm2 0.709 CV 1 ASSI { 1116} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 3.300 1.300 1.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.11869E-02 ppm1 7.714 ppm2 9.489 CV 1 ASSI { 1117} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.25693E-02 ppm1 7.721 ppm2 1.524 CV 1 ASSI { 1118} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.000 1.100 1.100 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.11405E-01 ppm1 9.471 ppm2 1.907 CV 1 ASSI { 1119} (( segid " " and resid 60 and name HN )) (( segid " " and resid 49 and name HB1 )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.84444E-03 ppm1 8.405 ppm2 1.521 CV 1 ASSI { 1120} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.600 1.600 1.600 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.10712E-02 ppm1 8.509 ppm2 3.610 CV 1 ASSI { 1121} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HD1%) 3.900 1.900 1.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.10176E-02 ppm1 8.457 ppm2 0.606 CV 1 ASSI { 1122} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 4.500 2.700 1.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.662 ppm2 1.773 CV 1 ASSI { 1123} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HA1 )) 4.400 2.400 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.190 ppm2 5.035 CV 1 ASSI { 1124} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.800 1.800 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.21536E-02 ppm1 8.187 ppm2 1.863 CV 1 ASSI { 1125} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 6.000 4.700 0.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.24203E-03 ppm1 8.833 ppm2 8.378 CV 1 ASSI { 1126} (( segid " " and resid 95 and name HN )) ( segid " " and resid 98 and name HD2%) 5.100 3.200 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.22993E-03 ppm1 8.832 ppm2 0.617 CV 1 ASSI { 1127} (( segid " " and resid 94 and name HN )) (( segid " " and resid 32 and name HB )) 4.700 2.700 1.300 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.17830E-03 ppm1 8.402 ppm2 4.022 CV 1 ASSI { 1128} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 98 and name HD2%) 6.000 5.300 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.12000E-03 ppm1 9.436 ppm2 -0.204 CV 1 ASSI { 1129} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 70 and name HA ) 4.500 2.700 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.18954E-03 ppm1 9.454 ppm2 6.208 CV 1 ASSI { 1130} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.400 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.41817E-02 ppm1 8.533 ppm2 1.383 CV 1 ASSI { 1131} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 5.600 3.900 0.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.17967E-03 ppm1 8.862 ppm2 9.387 CV 1 ASSI { 1132} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 4.200 2.300 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.95294E-03 ppm1 8.411 ppm2 8.946 CV 1 ASSI { 1133} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 78 and name HA2 ) 4.500 2.700 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.18954E-03 ppm1 9.454 ppm2 3.803 CV 1 ASSI { 1134} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG1 )) 2.700 0.900 1.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.34392E-02 ppm1 9.091 ppm2 1.301 CV 1 ASSI { 1135} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB1 )) 2.500 2.500 3.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.39248E-02 ppm1 7.592 ppm2 1.801 CV 1 ASSI { 1136} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) 4.500 2.500 1.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.43438E-03 ppm1 7.756 ppm2 9.444 CV 1 ASSI { 1137} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 3.600 1.600 1.600 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 8.191 ppm2 3.938 CV 1 ASSI { 1138} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB )) 4.200 2.200 1.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.12601E-02 ppm1 8.183 ppm2 1.378 CV 1 ASSI { 1139} (( segid " " and resid 50 and name HN )) (( segid " " and resid 61 and name HD2 )) 5.000 3.200 1.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.87647E-03 ppm1 7.897 ppm2 3.556 CV 1 ASSI { 1140} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 97 and name HA ) 4.500 2.700 1.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.18954E-03 ppm1 9.454 ppm2 3.793 CV 1 ASSI { 1141} (( segid " " and resid 94 and name HN )) ( segid " " and resid 80 and name HG12) 4.500 2.700 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.11863E-03 ppm1 8.408 ppm2 1.369 CV 1 ASSI { 1142} (( segid " " and resid 59 and name HN )) ( segid " " and resid 52 and name HD1%) 3.700 1.700 1.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.35712E-03 ppm1 8.227 ppm2 0.707 CV 1 ASSI { 1143} (( segid " " and resid 60 and name HN )) ( segid " " and resid 50 and name HG2%) 5.100 3.300 0.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.27039E-03 ppm1 8.404 ppm2 0.996 CV 1 ASSI { 1144} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HD2%) 3.800 1.800 1.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 7.706 ppm2 0.781 CV 1 ASSI { 1145} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HD1%) 4.400 2.400 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.14614E-02 ppm1 7.715 ppm2 0.721 CV 1 ASSI { 1146} (( segid " " and resid 71 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.200 3.200 2.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.90131E-03 ppm1 9.075 ppm2 2.723 CV 1 ASSI { 1147} (( segid " " and resid 71 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.100 3.100 2.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.99934E-03 ppm1 9.072 ppm2 3.253 CV 1 ASSI { 1148} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.19085E-02 ppm1 8.247 ppm2 8.898 CV 1 ASSI { 1150} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HD2%) 3.700 1.700 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.23196E-02 ppm1 8.157 ppm2 0.620 CV 1 ASSI { 1151} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG2%) 4.800 2.900 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.84706E-03 ppm1 9.350 ppm2 0.781 CV 1 ASSI { 1152} (( segid " " and resid 94 and name HN )) ( segid " " and resid 98 and name HB2 ) 4.500 2.700 1.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.70523E-03 ppm1 8.389 ppm2 4.295 CV 1 ASSI { 1153} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB1 )) 4.700 2.800 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.53418E-03 ppm1 8.598 ppm2 2.817 CV 1 ASSI { 1154} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 4.900 3.000 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.15085E-03 ppm1 7.539 ppm2 3.785 CV 1 ASSI { 1155} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) 4.000 2.000 2.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 8.155 ppm2 4.179 CV 1 ASSI { 1156} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG1 )) 3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.18373E-02 ppm1 8.157 ppm2 1.362 CV 1 ASSI { 1157} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HA )) 3.700 1.700 1.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.96078E-03 ppm1 7.746 ppm2 4.402 CV 1 ASSI { 1158} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.300 1.400 1.400 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 7.744 ppm2 4.110 CV 1 ASSI { 1159} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 2.400 0.700 0.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.86078E-02 ppm1 7.747 ppm2 1.744 CV 1 ASSI { 1160} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 3.800 1.800 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.23621E-02 ppm1 7.747 ppm2 0.760 CV 1 ASSI { 1161} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.81569E-02 ppm1 8.206 ppm2 4.367 CV 1 ASSI { 1162} (( segid " " and resid 43 and name HE1 )) (( segid " " and resid 43 and name HZ3 )) 4.300 2.300 1.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 10.187 ppm2 6.731 CV 1 ASSI { 1163} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 15 and name HZ3 )) 3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 10.125 ppm2 6.532 CV 1 ASSI { 1164} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 15 and name HH2 )) 4.200 2.200 1.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 10.125 ppm2 6.938 CV 1 ASSI { 1165} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HH2 )) 5.100 3.200 0.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.46843E-03 ppm1 9.458 ppm2 7.090 CV 1 ASSI { 1166} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 70 and name HZ3 )) 4.400 2.400 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.74575E-03 ppm1 9.560 ppm2 6.228 CV 1 ASSI { 1167} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 39 and name HH2 )) 4.200 2.200 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 9.956 ppm2 6.816 CV 1 ASSI { 1168} (( segid " " and resid 39 and name HE1 )) (( segid " " and resid 39 and name HZ3 )) 4.300 2.300 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.91046E-03 ppm1 9.957 ppm2 6.438 CV 1 ASSI { 1169} (( segid " " and resid 1 and name HE1 )) (( segid " " and resid 1 and name HH2 )) 4.800 2.900 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.93333E-03 ppm1 10.046 ppm2 6.981 CV 1 ASSI { 1170} (( segid " " and resid 95 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.500 2.700 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 8.832 ppm2 1.448 CV 1 ASSI { 1171} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 8.187 ppm2 3.753 CV 1 ASSI { 1172} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HD2%) 4.200 2.300 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.83595E-03 ppm1 9.415 ppm2 0.598 CV 1 ASSI { 1173} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HB1 )) 5.100 3.300 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.30797E-03 ppm1 8.452 ppm2 1.869 CV 1 OR { 1173} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HG1 )) ASSI { 1174} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 5.000 3.100 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.28451E-03 ppm1 8.457 ppm2 2.055 CV 1 ASSI { 1175} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.900 1.000 1.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.24673E-02 ppm1 7.543 ppm2 2.406 CV 1 ASSI { 1176} (( segid " " and resid 85 and name HN )) ( segid " " and resid 33 and name HG2%) 3.100 1.200 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 7.934 ppm2 0.683 CV 1 ASSI { 1177} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 4.800 2.800 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.75490E-03 ppm1 8.243 ppm2 0.983 CV 1 ASSI { 1178} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) 4.100 2.100 1.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.82484E-03 ppm1 8.240 ppm2 0.710 CV 1 ASSI { 1179} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HA )) 6.000 4.500 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.73464E-04 ppm1 8.663 ppm2 5.059 CV 1 ASSI { 1180} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 4.100 2.100 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.62091E-03 ppm1 8.157 ppm2 2.051 CV 1 ASSI { 1181} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.700 2.700 1.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.33745E-03 ppm1 7.871 ppm2 3.695 CV 1 ASSI { 1182} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG% )) 4.500 2.700 1.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.190 ppm2 1.459 CV 1 ASSI { 1183} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB2 )) 4.500 2.700 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.81895E-03 ppm1 8.190 ppm2 1.181 CV 1 ASSI { 1184} (( segid " " and resid 97 and name HN )) (( segid " " and resid 78 and name HA1 )) 4.500 2.700 1.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 3.739 CV 1 ASSI { 1185} (( segid " " and resid 97 and name HN )) (( segid " " and resid 78 and name HA2 )) 4.500 2.700 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 3.812 CV 1 ASSI { 1186} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD1 )) 6.000 6.000 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.26477E-04 ppm1 8.301 ppm2 3.094 CV 1 ASSI { 1187} (( segid " " and resid 54 and name HN )) ( segid " " and resid 52 and name HD1%) 6.000 5.100 0.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.13288E-03 ppm1 8.404 ppm2 0.437 CV 1 ASSI { 1188} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) 4.500 2.700 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 3.786 CV 1 ASSI { 1189} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 4.500 2.700 1.500 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 2.777 CV 1 ASSI { 1190} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.46137E-02 ppm1 8.300 ppm2 1.482 CV 1 ASSI { 1191} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB1 )) 4.500 4.500 1.500 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.54791E-03 ppm1 8.351 ppm2 1.491 CV 1 ASSI { 1192} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.000 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 7.761 ppm2 4.646 CV 1 ASSI { 1193} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.500 2.700 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 1.459 CV 1 ASSI { 1194} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 6.000 5.300 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.83137E-04 ppm1 8.896 ppm2 9.637 CV 1 ASSI { 1196} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG )) 6.000 6.000 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.31529E-04 ppm1 8.891 ppm2 1.026 CV 1 ASSI { 1197} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 4.800 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.57444E-04 ppm1 8.943 ppm2 5.339 CV 1 ASSI { 1198} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 5.500 3.700 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.31268E-03 ppm1 8.530 ppm2 9.412 CV 1 ASSI { 1199} (( segid " " and resid 23 and name HN )) ( segid " " and resid 12 and name HD1%) 4.500 2.700 1.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.371 ppm2 0.796 CV 1 ASSI { 1200} (( segid " " and resid 23 and name HN )) ( segid " " and resid 24 and name HD1%) 5.000 3.100 1.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.371 ppm2 0.766 CV 1 ASSI { 1201} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 5.100 3.300 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.34163E-03 ppm1 8.568 ppm2 8.304 CV 1 ASSI { 1202} (( segid " " and resid 26 and name HN )) ( segid " " and resid 27 and name HG2%) 6.000 6.000 0.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.60686E-04 ppm1 8.951 ppm2 1.178 CV 1 ASSI { 1203} (( segid " " and resid 39 and name HN )) ( segid " " and resid 36 and name HD1%) 4.600 2.600 1.400 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.68889E-03 ppm1 7.752 ppm2 0.726 CV 1 ASSI { 1204} (( segid " " and resid 23 and name HN )) ( segid " " and resid 12 and name HG ) 4.500 2.700 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.371 ppm2 1.111 CV 1 ASSI { 1205} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.35608E-02 ppm1 9.087 ppm2 1.799 CV 1 ASSI { 1206} (( segid " " and resid 23 and name HN )) ( segid " " and resid 12 and name HN ) 4.500 2.700 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.371 ppm2 9.075 CV 1 ASSI { 1207} (( segid " " and resid 23 and name HN )) ( segid " " and resid 14 and name HN ) 4.500 2.700 1.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.371 ppm2 8.845 CV 1 ASSI { 1208} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HE% ) 4.200 2.200 1.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.19222E-02 ppm1 8.773 ppm2 6.777 CV 1 ASSI { 1209} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 6.000 4.800 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.92287E-04 ppm1 8.658 ppm2 9.076 CV 1 ASSI { 1210} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) 3.500 1.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.40967E-02 ppm1 7.986 ppm2 2.308 CV 1 ASSI { 1211} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HN )) 6.000 4.500 0.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.16026E-03 ppm1 7.032 ppm2 8.639 CV 1 ASSI { 1212} (( segid " " and resid 92 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.29562E-03 ppm1 8.662 ppm2 9.073 CV 1 ASSI { 1213} (( segid " " and resid 32 and name HN )) (( segid " " and resid 94 and name HN )) 6.000 4.600 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.87059E-04 ppm1 8.948 ppm2 8.429 CV 1 ASSI { 1214} (( segid " " and resid 14 and name HN )) (( segid " " and resid 22 and name HA )) 5.100 3.300 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.34778E-03 ppm1 8.858 ppm2 5.441 CV 1 ASSI { 1215} (( segid " " and resid 38 and name HN )) ( segid " " and resid 34 and name HG2%) 3.500 1.500 1.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.18523E-02 ppm1 7.594 ppm2 1.192 CV 1 ASSI { 1216} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HA )) 4.500 2.700 1.500 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.18039E-03 ppm1 8.512 ppm2 3.801 CV 1 ASSI { 1217} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.500 2.700 1.500 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.18039E-03 ppm1 8.512 ppm2 1.445 CV 1 ASSI { 1218} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG1 )) 3.100 3.100 2.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.39170E-02 ppm1 8.213 ppm2 1.895 CV 1 ASSI { 1219} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG12)) 4.500 2.600 1.500 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.13706E-02 ppm1 8.790 ppm2 1.133 CV 1 ASSI { 1220} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA2 )) 2.400 2.400 3.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.53471E-02 ppm1 8.059 ppm2 3.736 CV 1 ASSI { 1221} (( segid " " and resid 59 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 2.700 3.300 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.22490E-02 ppm1 8.229 ppm2 4.196 CV 1 ASSI { 1222} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 2.900 3.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 8.892 ppm2 4.216 CV 1 ASSI { 1223} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.500 2.700 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.61196E-03 ppm1 7.455 ppm2 1.445 CV 1 ASSI { 1224} (( segid " " and resid 91 and name HN )) ( segid " " and resid 88 and name HD2%) 2.800 2.800 3.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.17320E-02 ppm1 7.794 ppm2 0.812 CV 1 ASSI { 1225} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 34 and name HD1%) 5.800 4.200 0.200 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10804E-03 ppm1 9.443 ppm2 0.342 CV 1 ASSI { 1226} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HG1 )) 2.800 2.800 3.200 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.19869E-02 ppm1 8.431 ppm2 2.037 CV 1 ASSI { 1227} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HG2 )) 3.400 1.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.44444E-02 ppm1 7.904 ppm2 1.324 CV 1 ASSI { 1228} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HA )) 4.300 2.300 1.700 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.13993E-03 ppm1 9.492 ppm2 8.197 CV 1 ASSI { 1229} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HB1 )) 4.500 2.500 1.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.84640E-03 ppm1 9.492 ppm2 3.039 CV 1 ASSI { 1230} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HB2 )) 5.100 3.200 0.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.45026E-03 ppm1 9.487 ppm2 2.742 CV 1 ASSI { 1231} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 74 and name HB1 )) 3.700 1.700 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.37418E-03 ppm1 9.488 ppm2 2.259 CV 1 ASSI { 1232} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 74 and name HB2 )) 5.200 3.400 0.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.27902E-03 ppm1 9.487 ppm2 1.937 CV 1 ASSI { 1233} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HD22)) 6.000 5.800 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.10307E-03 ppm1 7.982 ppm2 9.457 CV 1 ASSI { 1234} (( segid " " and resid 63 and name HE21)) (( segid " " and resid 63 and name HB1 )) 4.700 2.800 1.300 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.69281E-03 ppm1 6.475 ppm2 2.006 CV 1 ASSI { 1235} (( segid " " and resid 63 and name HE21)) (( segid " " and resid 63 and name HB2 )) 4.600 2.700 1.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.76340E-03 ppm1 6.479 ppm2 1.248 CV 1 ASSI { 1236} (( segid " " and resid 63 and name HE22)) (( segid " " and resid 63 and name HB1 )) 4.400 2.400 1.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.32065E-03 ppm1 6.712 ppm2 1.973 CV 1 ASSI { 1237} (( segid " " and resid 63 and name HE22)) (( segid " " and resid 63 and name HB2 )) 3.800 1.800 1.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.84510E-03 ppm1 6.716 ppm2 1.234 CV 1 ASSI { 1238} (( segid " " and resid 63 and name HE21)) (( segid " " and resid 63 and name HG2 )) 5.300 3.500 0.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.32268E-03 ppm1 6.480 ppm2 1.456 CV 1 ASSI { 1239} (( segid " " and resid 63 and name HE22)) (( segid " " and resid 63 and name HG2 )) 4.800 2.900 1.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.16366E-03 ppm1 6.708 ppm2 1.480 CV 1 ASSI { 1240} (( segid " " and resid 63 and name HE21)) ( segid " " and resid 85 and name HD1%) 4.000 2.000 2.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.21471E-03 ppm1 6.475 ppm2 0.745 CV 1 ASSI { 1241} (( segid " " and resid 63 and name HE22)) ( segid " " and resid 85 and name HD1%) 4.400 2.400 1.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.46301E-03 ppm1 6.705 ppm2 0.711 CV 1 ASSI { 1242} (( segid " " and resid 100 and name HE22)) (( segid " " and resid 96 and name HA )) 5.000 3.100 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.60542E-04 ppm1 7.652 ppm2 4.117 CV 1 ASSI { 1243} (( segid " " and resid 100 and name HE22)) (( segid " " and resid 97 and name HA )) 4.200 2.200 1.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.85229E-03 ppm1 7.649 ppm2 3.785 CV 1 ASSI { 1244} (( segid " " and resid 100 and name HE22)) (( segid " " and resid 100 and name HB1 )) 4.000 2.000 2.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.20281E-02 ppm1 7.654 ppm2 2.638 CV 1 ASSI { 1245} (( segid " " and resid 100 and name HE22)) (( segid " " and resid 100 and name HB2 )) 4.500 2.500 1.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.72026E-03 ppm1 7.651 ppm2 2.404 CV 1 ASSI { 1246} (( segid " " and resid 100 and name HE22)) ( segid " " and resid 80 and name HG2%) 4.200 2.200 1.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.40222E-03 ppm1 7.652 ppm2 0.871 CV 1 ASSI { 1247} (( segid " " and resid 95 and name HE )) (( segid " " and resid 30 and name HA )) 3.600 1.700 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.11850E-02 ppm1 7.239 ppm2 4.261 CV 1 ASSI { 1248} (( segid " " and resid 95 and name HE )) (( segid " " and resid 95 and name HA )) 4.200 2.200 1.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.55908E-03 ppm1 7.236 ppm2 3.692 CV 1 ASSI { 1249} (( segid " " and resid 95 and name HE )) (( segid " " and resid 95 and name HD1 )) 2.800 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.51196E-02 ppm1 7.240 ppm2 3.201 CV 1 ASSI { 1250} (( segid " " and resid 95 and name HE )) (( segid " " and resid 95 and name HB1 )) 2.500 0.800 0.800 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.43640E-02 ppm1 7.240 ppm2 1.876 CV 1 ASSI { 1251} (( segid " " and resid 95 and name HE )) (( segid " " and resid 95 and name HG1 )) 4.100 2.100 1.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 7.239 ppm2 1.455 CV 1 ASSI { 1252} (( segid " " and resid 95 and name HE )) (( segid " " and resid 95 and name HN )) 5.200 3.400 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.28987E-03 ppm1 7.251 ppm2 8.856 CV 1 ASSI { 1253} (( segid " " and resid 71 and name HE )) (( segid " " and resid 71 and name HD1 )) 3.300 1.300 1.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 7.139 ppm2 3.095 CV 1 ASSI { 1254} (( segid " " and resid 71 and name HE )) (( segid " " and resid 70 and name HB2 )) 4.900 3.000 1.100 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.34791E-03 ppm1 7.138 ppm2 2.567 CV 1 ASSI { 1255} (( segid " " and resid 71 and name HE )) (( segid " " and resid 71 and name HB1 )) 4.200 2.200 1.800 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.62301E-03 ppm1 7.138 ppm2 1.722 CV 1 ASSI { 1256} (( segid " " and resid 71 and name HE )) (( segid " " and resid 71 and name HG1 )) 3.500 1.500 1.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.10333E-02 ppm1 7.131 ppm2 1.496 CV 1 ASSI { 1257} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 4.500 2.700 1.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.61196E-03 ppm1 7.455 ppm2 4.383 CV 1 ASSI { 1258} (( segid " " and resid 71 and name HE )) (( segid " " and resid 16 and name HB1 )) 5.200 3.400 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.45438E-04 ppm1 7.133 ppm2 2.302 CV 1 ASSI { 1259} (( segid " " and resid 53 and name HE )) (( segid " " and resid 52 and name HA )) 3.700 3.700 2.300 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.36425E-03 ppm1 6.729 ppm2 4.244 CV 1 ASSI { 1260} (( segid " " and resid 53 and name HE )) (( segid " " and resid 53 and name HD1 )) 2.600 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.73006E-02 ppm1 6.725 ppm2 2.966 CV 1 ASSI { 1261} (( segid " " and resid 53 and name HE )) (( segid " " and resid 51 and name HB1 )) 3.800 3.800 2.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.28935E-03 ppm1 6.724 ppm2 2.675 CV 1 ASSI { 1262} (( segid " " and resid 53 and name HE )) (( segid " " and resid 53 and name HB1 )) 3.700 1.700 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.21536E-02 ppm1 6.728 ppm2 1.758 CV 1 ASSI { 1263} (( segid " " and resid 53 and name HE )) (( segid " " and resid 53 and name HG1 )) 3.700 1.700 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.99869E-03 ppm1 6.724 ppm2 1.476 CV 1 ASSI { 1264} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) 4.500 2.700 1.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.55150E-03 ppm1 8.346 ppm2 4.204 CV 1 ASSI { 1265} (( segid " " and resid 85 and name HN )) ( segid " " and resid 36 and name HD2%) 3.300 3.300 2.700 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.30980E-02 ppm1 7.929 ppm2 0.708 CV 1 ASSI { 1266} (( segid " " and resid 84 and name HN )) ( segid " " and resid 33 and name HD1%) 2.400 2.400 3.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.49830E-02 ppm1 8.145 ppm2 0.940 CV 1 ASSI { 1267} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HA )) 4.100 2.100 1.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.77908E-03 ppm1 8.255 ppm2 3.726 CV 1 ASSI { 1268} (( segid " " and resid 76 and name HN )) (( segid " " and resid 71 and name HA )) 6.000 4.800 0.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.91568E-04 ppm1 8.895 ppm2 5.304 CV 1 ASSI { 1269} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.20745E-02 ppm1 8.887 ppm2 8.219 CV 1 ASSI { 1270} (( segid " " and resid 84 and name HN )) (( segid " " and resid 65 and name HA )) 5.500 3.800 0.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.12405E-03 ppm1 8.150 ppm2 4.053 CV 1 ASSI { 1271} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB1 )) 5.800 4.300 0.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.89477E-04 ppm1 8.090 ppm2 3.585 CV 1 ASSI { 1272} (( segid " " and resid 65 and name HN )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.36732E-03 ppm1 8.595 ppm2 8.789 CV 1 ASSI { 1273} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) 3.400 1.400 1.400 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.35542E-02 ppm1 7.752 ppm2 1.766 CV 1 ASSI { 1274} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG1 )) 3.300 3.300 2.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.42569E-02 ppm1 7.761 ppm2 1.345 CV 1 ASSI { 1275} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.27863E-02 ppm1 7.760 ppm2 1.827 CV 1 ASSI { 1276} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HG2%) 3.300 1.400 1.400 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.28771E-02 ppm1 8.430 ppm2 0.430 CV 1 ASSI { 1277} (( segid " " and resid 51 and name HN )) ( segid " " and resid 52 and name HD2%) 5.300 3.500 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.14359E-03 ppm1 8.348 ppm2 0.477 CV 1 ASSI { 1278} (( segid " " and resid 49 and name HN )) (( segid " " and resid 60 and name HA )) 4.500 2.700 1.500 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.43993E-02 ppm1 8.342 ppm2 4.761 CV 1 ASSI { 1279} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.700 1.700 1.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 8.128 ppm2 2.216 CV 1 ASSI { 1280} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.33307E-02 ppm1 8.224 ppm2 4.316 CV 1 ASSI { 1281} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD21)) 5.100 3.300 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.18712E-03 ppm1 8.404 ppm2 6.746 CV 1 ASSI { 1282} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD22)) 5.100 3.200 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.51667E-03 ppm1 8.403 ppm2 7.432 CV 1 ASSI { 1283} (( segid " " and resid 60 and name HD22)) (( segid " " and resid 61 and name HD1 )) 3.600 1.600 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.43699E-03 ppm1 7.466 ppm2 3.709 CV 1 ASSI { 1284} (( segid " " and resid 60 and name HD22)) (( segid " " and resid 60 and name HB1 )) 3.300 1.400 1.400 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.55719E-02 ppm1 7.461 ppm2 2.651 CV 1 ASSI { 1285} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.500 2.700 1.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.43993E-02 ppm1 8.342 ppm2 2.694 CV 1 ASSI { 1286} (( segid " " and resid 60 and name HD22)) (( segid " " and resid 61 and name HG1 )) 3.200 3.200 2.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.76601E-03 ppm1 7.466 ppm2 1.926 CV 1 ASSI { 1288} (( segid " " and resid 62 and name HN )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.50784E-02 ppm1 7.751 ppm2 8.160 CV 1 ASSI { 1290} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) 2.500 0.800 0.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.61183E-02 ppm1 8.187 ppm2 2.455 CV 1 ASSI { 1291} (( segid " " and resid 104 and name HN )) ( segid " " and resid 104 and name HE% ) 3.500 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.19078E-02 ppm1 8.187 ppm2 1.050 CV 1 ASSI { 1292} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA2 )) 4.300 2.300 1.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.37013E-03 ppm1 6.237 ppm2 3.920 CV 1 ASSI { 1293} (( segid " " and resid 24 and name HN )) (( segid " " and resid 92 and name HA )) 4.500 2.700 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.68758E-03 ppm1 8.280 ppm2 4.835 CV 1 ASSI { 1294} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 5.000 3.100 1.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.38157E-03 ppm1 9.042 ppm2 8.220 CV 1 ASSI { 1295} (( segid " " and resid 12 and name HN )) (( segid " " and resid 24 and name HA )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.10739E-02 ppm1 9.051 ppm2 4.969 CV 1 ASSI { 1296} (( segid " " and resid 12 and name HN )) ( segid " " and resid 22 and name HG2%) 4.000 2.000 2.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.68758E-03 ppm1 9.033 ppm2 1.097 CV 1 ASSI { 1297} (( segid " " and resid 13 and name HN )) (( segid " " and resid 22 and name HA )) 5.300 3.400 0.700 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.23052E-03 ppm1 8.755 ppm2 5.346 CV 1 ASSI { 1298} (( segid " " and resid 13 and name HN )) ( segid " " and resid 22 and name HG2%) 5.400 3.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.13902E-03 ppm1 8.746 ppm2 1.129 CV 1 ASSI { 1299} (( segid " " and resid 13 and name HN )) ( segid " " and resid 5 and name HD1%) 2.600 2.600 3.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.29098E-02 ppm1 8.745 ppm2 0.767 CV 1 ASSI { 1300} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HA )) 4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.94118E-03 ppm1 8.860 ppm2 4.681 CV 1 ASSI { 1301} (( segid " " and resid 14 and name HN )) (( segid " " and resid 72 and name HA )) 4.900 3.000 1.100 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.58876E-03 ppm1 8.859 ppm2 5.425 CV 1 ASSI { 1302} (( segid " " and resid 15 and name HN )) (( segid " " and resid 72 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.53745E-03 ppm1 8.889 ppm2 5.430 CV 1 ASSI { 1303} (( segid " " and resid 15 and name HN )) (( segid " " and resid 72 and name HN )) 5.900 4.300 0.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.95359E-04 ppm1 8.904 ppm2 8.244 CV 1 ASSI { 1304} (( segid " " and resid 15 and name HN )) (( segid " " and resid 71 and name HA )) 4.600 2.700 1.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.37993E-03 ppm1 8.895 ppm2 5.283 CV 1 ASSI { 1305} (( segid " " and resid 16 and name HN )) ( segid " " and resid 21 and name HD% ) 4.000 2.000 2.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 9.661 ppm2 7.522 CV 1 ASSI { 1306} (( segid " " and resid 17 and name HN )) (( segid " " and resid 69 and name HB )) 4.600 2.700 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.67451E-03 ppm1 9.609 ppm2 4.057 CV 1 ASSI { 1307} (( segid " " and resid 17 and name HN )) ( segid " " and resid 69 and name HG2%) 4.500 2.500 1.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 9.611 ppm2 0.876 CV 1 ASSI { 1308} (( segid " " and resid 17 and name HN )) ( segid " " and resid 68 and name HD1%) 6.000 6.000 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.30189E-04 ppm1 9.617 ppm2 0.128 CV 1 ASSI { 1309} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 4.800 2.900 1.200 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.48359E-03 ppm1 8.760 ppm2 5.390 CV 1 ASSI { 1310} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.800 2.800 1.200 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.92353E-03 ppm1 8.760 ppm2 3.167 CV 1 ASSI { 1311} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 3.900 1.900 1.900 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.27654E-03 ppm1 8.761 ppm2 4.153 CV 1 ASSI { 1312} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HN )) 5.900 4.400 0.100 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.14771E-03 ppm1 8.525 ppm2 9.640 CV 1 ASSI { 1313} (( segid " " and resid 21 and name HN )) ( segid " " and resid 13 and name HG2%) 4.300 2.300 1.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.39183E-03 ppm1 9.423 ppm2 0.755 CV 1 ASSI { 1314} (( segid " " and resid 21 and name HN )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.95490E-03 ppm1 9.422 ppm2 4.678 CV 1 ASSI { 1315} (( segid " " and resid 21 and name HN )) (( segid " " and resid 14 and name HB1 )) 4.500 2.500 1.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.69150E-03 ppm1 9.419 ppm2 1.555 CV 1 ASSI { 1316} (( segid " " and resid 21 and name HN )) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 9.419 ppm2 8.861 CV 1 ASSI { 1317} (( segid " " and resid 23 and name HN )) (( segid " " and resid 13 and name HA )) 5.300 3.500 0.700 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.24091E-03 ppm1 8.375 ppm2 5.177 CV 1 ASSI { 1318} (( segid " " and resid 23 and name HN )) ( segid " " and resid 13 and name HG2%) 3.800 1.800 1.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.30105E-03 ppm1 8.381 ppm2 0.776 CV 1 ASSI { 1319} (( segid " " and resid 24 and name HN )) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.68758E-03 ppm1 8.280 ppm2 5.028 CV 1 ASSI { 1320} (( segid " " and resid 25 and name HN )) (( segid " " and resid 11 and name HA )) 6.000 5.100 0.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.89477E-04 ppm1 8.560 ppm2 5.134 CV 1 ASSI { 1321} (( segid " " and resid 25 and name HN )) (( segid " " and resid 12 and name HB1 )) 4.200 2.200 1.800 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.66405E-03 ppm1 8.548 ppm2 1.482 CV 1 ASSI { 1322} (( segid " " and resid 25 and name HN )) ( segid " " and resid 12 and name HD2%) 3.000 3.000 3.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.49229E-02 ppm1 8.550 ppm2 0.825 CV 1 ASSI { 1323} (( segid " " and resid 26 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.61301E-03 ppm1 8.950 ppm2 2.999 CV 1 ASSI { 1324} (( segid " " and resid 29 and name HN )) (( segid " " and resid 95 and name HA )) 5.500 3.800 0.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.27562E-03 ppm1 7.380 ppm2 3.771 CV 1 ASSI { 1325} (( segid " " and resid 47 and name HN )) (( segid " " and resid 61 and name HA )) 4.500 2.700 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 8.187 ppm2 4.401 CV 1 ASSI { 1326} (( segid " " and resid 30 and name HN )) (( segid " " and resid 92 and name HB1 )) 6.000 5.700 0.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.58490E-04 ppm1 8.850 ppm2 1.644 CV 1 ASSI { 1327} (( segid " " and resid 30 and name HN )) ( segid " " and resid 92 and name HD1%) 5.800 4.200 0.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.10091E-03 ppm1 8.858 ppm2 0.778 CV 1 ASSI { 1328} (( segid " " and resid 30 and name HN )) ( segid " " and resid 92 and name HD2%) 5.800 4.200 0.200 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.82026E-04 ppm1 8.858 ppm2 0.786 CV 1 ASSI { 1329} (( segid " " and resid 31 and name HN )) ( segid " " and resid 92 and name HD2%) 4.200 2.200 1.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.45882E-03 ppm1 7.343 ppm2 0.774 CV 1 ASSI { 1330} (( segid " " and resid 31 and name HN )) ( segid " " and resid 92 and name HD1%) 4.000 2.000 2.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.69738E-03 ppm1 7.347 ppm2 0.780 CV 1 ASSI { 1331} (( segid " " and resid 33 and name HN )) (( segid " " and resid 89 and name HB2 )) 6.000 5.400 0.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.14706E-03 ppm1 8.747 ppm2 1.884 CV 1 ASSI { 1332} (( segid " " and resid 33 and name HN )) (( segid " " and resid 92 and name HB2 )) 4.700 2.700 1.300 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.35157E-03 ppm1 8.749 ppm2 1.109 CV 1 ASSI { 1333} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.900 1.900 1.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 8.752 ppm2 0.738 CV 1 OR { 1333} (( segid " " and resid 33 and name HN )) ( segid " " and resid 92 and name HD1%) ASSI { 1334} (( segid " " and resid 33 and name HN )) ( segid " " and resid 31 and name HG1%) 4.000 2.000 2.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.13627E-02 ppm1 8.751 ppm2 0.746 CV 1 ASSI { 1335} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 3.000 3.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.33575E-02 ppm1 8.744 ppm2 4.523 CV 1 ASSI { 1336} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) 4.300 2.300 1.700 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.35157E-03 ppm1 8.749 ppm2 1.109 CV 1 ASSI { 1337} (( segid " " and resid 34 and name HN )) (( segid " " and resid 83 and name HN )) 5.200 3.300 0.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.22490E-03 ppm1 8.801 ppm2 8.521 CV 1 ASSI { 1338} (( segid " " and resid 35 and name HN )) (( segid " " and resid 88 and name HA )) 4.300 2.300 1.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 9.088 ppm2 4.584 CV 1 ASSI { 1339} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG2%)) 4.500 2.700 1.500 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 8.187 ppm2 1.077 CV 1 ASSI { 1340} (( segid " " and resid 35 and name HN )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.66470E-02 ppm1 9.088 ppm2 4.494 CV 1 ASSI { 1341} (( segid " " and resid 36 and name HN )) (( segid " " and resid 85 and name HN )) 3.800 1.800 1.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.60830E-03 ppm1 7.709 ppm2 7.979 CV 1 ASSI { 1342} (( segid " " and resid 36 and name HN )) (( segid " " and resid 86 and name HA )) 3.100 1.200 1.200 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.20163E-02 ppm1 7.711 ppm2 4.721 CV 1 ASSI { 1343} (( segid " " and resid 87 and name HN )) (( segid " " and resid 36 and name HN )) 5.000 3.100 1.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.16451E-03 ppm1 9.486 ppm2 7.755 CV 1 ASSI { 1344} (( segid " " and resid 36 and name HN )) (( segid " " and resid 89 and name HD1 )) 4.100 2.100 1.900 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.70000E-03 ppm1 7.709 ppm2 3.764 CV 1 ASSI { 1345} (( segid " " and resid 36 and name HN )) (( segid " " and resid 89 and name HG1 )) 4.900 3.000 1.100 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 7.713 ppm2 1.913 CV 1 ASSI { 1346} (( segid " " and resid 101 and name HN )) (( segid " " and resid 103 and name HB )) 4.500 2.700 1.500 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.61196E-03 ppm1 7.455 ppm2 1.756 CV 1 ASSI { 1347} (( segid " " and resid 47 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.600 1.600 1.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.70327E-03 ppm1 8.195 ppm2 1.719 CV 1 ASSI { 1348} (( segid " " and resid 47 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.900 1.900 1.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 8.187 ppm2 1.395 CV 1 ASSI { 1349} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) 4.500 2.700 1.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.158 ppm2 4.395 CV 1 ASSI { 1350} (( segid " " and resid 49 and name HN )) (( segid " " and resid 61 and name HA )) 3.500 1.700 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.43993E-02 ppm1 8.342 ppm2 4.410 CV 1 ASSI { 1351} (( segid " " and resid 51 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.25327E-02 ppm1 8.343 ppm2 4.666 CV 1 ASSI { 1352} (( segid " " and resid 51 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.600 1.600 1.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.30595E-02 ppm1 8.345 ppm2 2.646 CV 1 ASSI { 1353} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HA2 )) 2.900 2.900 3.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.62327E-02 ppm1 8.295 ppm2 4.201 CV 1 ASSI { 1354} (( segid " " and resid 53 and name HN )) (( segid " " and resid 57 and name HA )) 2.400 0.700 0.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.99216E-02 ppm1 8.298 ppm2 4.223 CV 1 ASSI { 1355} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HA )) 2.900 1.100 1.100 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.53444E-02 ppm1 8.399 ppm2 4.181 CV 1 ASSI { 1356} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HA2 )) 4.400 2.400 1.600 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 8.327 ppm2 3.694 CV 1 ASSI { 1357} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.700 1.700 1.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.55150E-03 ppm1 8.346 ppm2 1.732 CV 1 ASSI { 1358} (( segid " " and resid 58 and name HN )) (( segid " " and resid 52 and name HA )) 2.400 2.400 3.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.75882E-02 ppm1 8.131 ppm2 4.207 CV 1 ASSI { 1359} (( segid " " and resid 62 and name HN )) (( segid " " and resid 48 and name HA )) 3.000 1.100 1.100 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.38725E-02 ppm1 7.770 ppm2 4.424 CV 1 ASSI { 1360} (( segid " " and resid 62 and name HN )) (( segid " " and resid 48 and name HB )) 4.300 2.300 1.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.67255E-03 ppm1 7.781 ppm2 4.120 CV 1 ASSI { 1361} (( segid " " and resid 64 and name HN )) (( segid " " and resid 46 and name HB )) 3.400 3.400 2.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.58987E-03 ppm1 7.942 ppm2 3.932 CV 1 ASSI { 1362} (( segid " " and resid 64 and name HN )) ( segid " " and resid 83 and name HD% ) 4.200 2.200 1.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.67974E-03 ppm1 7.945 ppm2 6.662 CV 1 ASSI { 1363} (( segid " " and resid 64 and name HN )) ( segid " " and resid 83 and name HE% ) 4.400 2.400 1.600 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.59085E-03 ppm1 7.943 ppm2 7.191 CV 1 ASSI { 1364} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB% )) 4.500 2.700 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.158 ppm2 1.771 CV 1 ASSI { 1365} (( segid " " and resid 64 and name HN )) (( segid " " and resid 84 and name HB )) 4.400 2.400 1.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.26281E-03 ppm1 7.947 ppm2 0.996 CV 1 ASSI { 1366} (( segid " " and resid 64 and name HN )) (( segid " " and resid 85 and name HA )) 4.000 2.000 2.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.60176E-03 ppm1 7.946 ppm2 4.815 CV 1 ASSI { 1367} (( segid " " and resid 64 and name HN )) ( segid " " and resid 85 and name HD1%) 4.500 2.500 1.500 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.55144E-03 ppm1 7.937 ppm2 0.761 CV 1 ASSI { 1368} (( segid " " and resid 64 and name HN )) ( segid " " and resid 46 and name HG2%) 4.300 2.300 1.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.13725E-03 ppm1 7.956 ppm2 1.018 CV 1 ASSI { 1369} (( segid " " and resid 68 and name HN )) ( segid " " and resid 80 and name HD1%) 3.600 1.600 1.600 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 9.399 ppm2 0.886 CV 1 ASSI { 1370} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HA )) 4.500 2.700 1.500 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.158 ppm2 4.119 CV 1 ASSI { 1371} (( segid " " and resid 71 and name HN )) (( segid " " and resid 15 and name HD1 )) 4.000 2.000 2.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 9.074 ppm2 6.755 CV 1 ASSI { 1372} (( segid " " and resid 71 and name HN )) (( segid " " and resid 16 and name HA )) 4.000 2.000 2.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.91830E-03 ppm1 9.072 ppm2 5.354 CV 1 ASSI { 1373} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HA )) 6.000 6.000 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.29928E-04 ppm1 8.242 ppm2 4.619 CV 1 ASSI { 1374} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 2.500 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.72745E-02 ppm1 8.096 ppm2 4.152 CV 1 ASSI { 1375} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HB )) 4.500 2.700 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.158 ppm2 1.752 CV 1 ASSI { 1376} (( segid " " and resid 79 and name HN )) ( segid " " and resid 97 and name HD1%) 3.200 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.27261E-02 ppm1 8.159 ppm2 0.546 CV 1 ASSI { 1377} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HG2%) 2.800 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.52673E-02 ppm1 8.150 ppm2 0.860 CV 1 ASSI { 1378} (( segid " " and resid 83 and name HN )) (( segid " " and resid 65 and name HA )) 3.700 1.700 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 8.545 ppm2 4.050 CV 1 ASSI { 1379} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 4.500 2.700 1.500 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.11497E-03 ppm1 7.752 ppm2 4.169 CV 1 ASSI { 1380} (( segid " " and resid 84 and name HN )) (( segid " " and resid 63 and name HG1 )) 3.100 3.100 2.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.36425E-02 ppm1 8.160 ppm2 1.359 CV 1 ASSI { 1381} (( segid " " and resid 85 and name HN )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.82680E-03 ppm1 7.931 ppm2 4.486 CV 1 ASSI { 1382} (( segid " " and resid 85 and name HN )) (( segid " " and resid 36 and name HA )) 4.200 2.200 1.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.55817E-03 ppm1 7.931 ppm2 3.734 CV 1 ASSI { 1383} (( segid " " and resid 85 and name HN )) (( segid " " and resid 89 and name HG1 )) 4.600 2.600 1.400 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.15268E-03 ppm1 7.927 ppm2 1.796 CV 1 ASSI { 1384} (( segid " " and resid 88 and name HN )) (( segid " " and resid 35 and name HA )) 3.800 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.21680E-02 ppm1 7.904 ppm2 4.528 CV 1 ASSI { 1385} (( segid " " and resid 91 and name HN )) (( segid " " and resid 34 and name HA )) 4.500 2.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.72680E-03 ppm1 7.796 ppm2 4.518 CV 1 ASSI { 1386} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HA )) 4.000 2.000 2.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.74444E-03 ppm1 7.795 ppm2 4.527 CV 1 ASSI { 1387} (( segid " " and resid 91 and name HN )) ( segid " " and resid 88 and name HD1%) 3.200 1.300 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.88301E-03 ppm1 7.795 ppm2 0.730 CV 1 ASSI { 1388} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HA )) 3.100 1.200 1.200 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.42359E-02 ppm1 7.795 ppm2 4.238 CV 1 ASSI { 1389} (( segid " " and resid 92 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.400 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.663 ppm2 4.512 CV 1 ASSI { 1390} (( segid " " and resid 92 and name HN )) (( segid " " and resid 33 and name HB )) 3.400 1.500 1.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 8.672 ppm2 1.444 CV 1 ASSI { 1391} (( segid " " and resid 92 and name HN )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.662 ppm2 4.513 CV 1 ASSI { 1392} (( segid " " and resid 93 and name HN )) (( segid " " and resid 29 and name HA )) 4.500 2.600 1.500 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.26647E-03 ppm1 8.593 ppm2 4.474 CV 1 ASSI { 1393} (( segid " " and resid 93 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.200 2.200 1.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.60124E-03 ppm1 8.602 ppm2 2.941 CV 1 ASSI { 1394} (( segid " " and resid 94 and name HN )) ( segid " " and resid 29 and name HB% ) 4.300 2.300 1.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.70523E-03 ppm1 8.389 ppm2 1.395 CV 1 ASSI { 1395} (( segid " " and resid 94 and name HN )) ( segid " " and resid 80 and name HD1%) 5.200 3.400 0.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.11863E-03 ppm1 8.408 ppm2 0.834 CV 1 ASSI { 1396} (( segid " " and resid 95 and name HN )) ( segid " " and resid 29 and name HB% ) 4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.52686E-03 ppm1 8.829 ppm2 1.389 CV 1 ASSI { 1397} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) 4.500 2.700 1.500 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.66601E-03 ppm1 8.186 ppm2 4.153 CV 1 ASSI { 1398} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 4.300 2.300 1.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.59314E-03 ppm1 8.457 ppm2 8.261 CV 1 ASSI { 1399} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 2.800 1.000 1.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.29974E-02 ppm1 8.327 ppm2 8.473 CV 1 ASSI { 1400} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 4.100 2.100 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.51484E-03 ppm1 8.449 ppm2 3.743 CV 1 ASSI { 1401} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.28444E-02 ppm1 8.506 ppm2 4.092 CV 1 ASSI { 1402} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HA )) 3.800 1.800 1.800 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 8.506 ppm2 3.743 CV 1 ASSI { 1403} (( segid " " and resid 100 and name HN )) (( segid " " and resid 96 and name HA )) 3.700 1.800 1.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.10085E-02 ppm1 7.541 ppm2 4.095 CV 1 ASSI { 1404} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HN )) 4.500 2.600 1.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.39810E-03 ppm1 7.458 ppm2 8.480 CV 1 ASSI { 1405} (( segid " " and resid 103 and name HN )) (( segid " " and resid 99 and name HA )) 2.900 1.100 1.100 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.50320E-02 ppm1 7.737 ppm2 4.147 CV 1 ASSI { 1406} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HN )) 5.700 4.100 0.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.11497E-03 ppm1 7.752 ppm2 7.478 CV 1 ASSI { 1407} (( segid " " and resid 104 and name HN )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.72091E-02 ppm1 8.179 ppm2 4.117 CV 1 ASSI { 1408} (( segid " " and resid 104 and name HN )) (( segid " " and resid 99 and name HB1 )) 4.400 2.400 1.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.66601E-03 ppm1 8.186 ppm2 3.927 CV 1 ASSI { 1410} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB% )) 4.500 2.700 1.500 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.12072E-01 ppm1 8.202 ppm2 1.991 CV 1 ASSI { 1411} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HE% )) 4.500 2.700 1.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.77451E-02 ppm1 8.195 ppm2 0.833 CV 1 ASSI { 1412} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 4.500 2.700 1.500 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.33745E-03 ppm1 7.871 ppm2 4.327 CV 1
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